Build log for cod-tools (2.2+dfsg-2) on armhf

cod-tools → 2.2+dfsg-2 → armhf → 2018-07-15 16:14:21

sbuild (Debian sbuild) 0.71.0 (24 Aug 2016) on testwandboard

+==============================================================================+
| cod-tools 2.2+dfsg-2 (armhf)                 Sun, 15 Jul 2018 13:10:48 +0000 |
+==============================================================================+

Package: cod-tools
Version: 2.2+dfsg-2
Source Version: 2.2+dfsg-2
Distribution: buster-staging
Machine Architecture: armhf
Host Architecture: armhf
Build Architecture: armhf

I: NOTICE: Log filtering will replace 'var/lib/schroot/mount/buster-staging-armhf-sbuild-794d934f-8de3-4728-8a0f-633fbbadbec1' with '<<CHROOT>>'

+------------------------------------------------------------------------------+
| Update chroot                                                                |
+------------------------------------------------------------------------------+

Get:1 http://172.17.0.1/private buster-staging InRelease [11.3 kB]
Get:2 http://172.17.0.1/private buster-staging/main Sources [10.9 MB]
Get:3 http://172.17.0.1/private buster-staging/main armhf Packages [12.6 MB]
Fetched 23.5 MB in 29s (824 kB/s)
Reading package lists...
W: No sandbox user '_apt' on the system, can not drop privileges

+------------------------------------------------------------------------------+
| Fetch source files                                                           |
+------------------------------------------------------------------------------+


Check APT
---------

Checking available source versions...

Download source files with APT
------------------------------

Reading package lists...
NOTICE: 'cod-tools' packaging is maintained in the 'Git' version control system at:
https://salsa.debian.org/science-team/cod-tools.git
Please use:
git clone https://salsa.debian.org/science-team/cod-tools.git
to retrieve the latest (possibly unreleased) updates to the package.
Need to get 18.3 MB of source archives.
Get:1 http://172.17.0.1/private buster-staging/main cod-tools 2.2+dfsg-2 (dsc) [3410 B]
Get:2 http://172.17.0.1/private buster-staging/main cod-tools 2.2+dfsg-2 (tar) [18.3 MB]
Get:3 http://172.17.0.1/private buster-staging/main cod-tools 2.2+dfsg-2 (diff) [16.7 kB]
Fetched 18.3 MB in 5s (3608 kB/s)
Download complete and in download only mode
I: NOTICE: Log filtering will replace 'build/cod-tools-5Ko7Oz/cod-tools-2.2+dfsg' with '<<PKGBUILDDIR>>'
I: NOTICE: Log filtering will replace 'build/cod-tools-5Ko7Oz' with '<<BUILDDIR>>'

+------------------------------------------------------------------------------+
| Install build-essential                                                      |
+------------------------------------------------------------------------------+


Setup apt archive
-----------------

Merged Build-Depends: build-essential, fakeroot
Filtered Build-Depends: build-essential, fakeroot
dpkg-deb: building package 'sbuild-build-depends-core-dummy' in '/<<BUILDDIR>>/resolver-4Sn4gG/apt_archive/sbuild-build-depends-core-dummy.deb'.
dpkg-scanpackages: warning: Packages in archive but missing from override file:
dpkg-scanpackages: warning:   sbuild-build-depends-core-dummy
dpkg-scanpackages: info: Wrote 1 entries to output Packages file.
gpg: keybox '/<<BUILDDIR>>/resolver-4Sn4gG/gpg/pubring.kbx' created
gpg: /<<BUILDDIR>>/resolver-4Sn4gG/gpg/trustdb.gpg: trustdb created
gpg: key 35506D9A48F77B2E: public key "Sbuild Signer (Sbuild Build Dependency Archive Key) <buildd-tools-devel@lists.alioth.debian.org>" imported
gpg: Total number processed: 1
gpg:               imported: 1
gpg: key 35506D9A48F77B2E: "Sbuild Signer (Sbuild Build Dependency Archive Key) <buildd-tools-devel@lists.alioth.debian.org>" not changed
gpg: key 35506D9A48F77B2E: secret key imported
gpg: Total number processed: 1
gpg:              unchanged: 1
gpg:       secret keys read: 1
gpg:   secret keys imported: 1
gpg: using "Sbuild Signer" as default secret key for signing
Ign:1 copy:/<<BUILDDIR>>/resolver-4Sn4gG/apt_archive ./ InRelease
Get:2 copy:/<<BUILDDIR>>/resolver-4Sn4gG/apt_archive ./ Release [957 B]
Get:3 copy:/<<BUILDDIR>>/resolver-4Sn4gG/apt_archive ./ Release.gpg [370 B]
Get:4 copy:/<<BUILDDIR>>/resolver-4Sn4gG/apt_archive ./ Sources [349 B]
Get:5 copy:/<<BUILDDIR>>/resolver-4Sn4gG/apt_archive ./ Packages [431 B]
Fetched 2107 B in 1s (3278 B/s)
Reading package lists...
W: No sandbox user '_apt' on the system, can not drop privileges
Reading package lists...

Install core build dependencies (apt-based resolver)
----------------------------------------------------

Installing build dependencies
Reading package lists...
Building dependency tree...
Reading state information...
The following packages were automatically installed and are no longer required:
  ca-certificates dbus dbus-user-session e2fsprogs-l10n libexpat1
  libnss-systemd libpam-systemd libsasl2-modules libssl1.1 openssl
  systemd-sysv
Use 'apt autoremove' to remove them.
The following NEW packages will be installed:
  sbuild-build-depends-core-dummy
0 upgraded, 1 newly installed, 0 to remove and 41 not upgraded.
Need to get 848 B of archives.
After this operation, 0 B of additional disk space will be used.
Get:1 copy:/<<BUILDDIR>>/resolver-4Sn4gG/apt_archive ./ sbuild-build-depends-core-dummy 0.invalid.0 [848 B]
debconf: delaying package configuration, since apt-utils is not installed
Fetched 848 B in 0s (74.8 kB/s)
Selecting previously unselected package sbuild-build-depends-core-dummy.
(Reading database ... 15772 files and directories currently installed.)
Preparing to unpack .../sbuild-build-depends-core-dummy_0.invalid.0_armhf.deb ...
Unpacking sbuild-build-depends-core-dummy (0.invalid.0) ...
Setting up sbuild-build-depends-core-dummy (0.invalid.0) ...
W: No sandbox user '_apt' on the system, can not drop privileges

+------------------------------------------------------------------------------+
| Check architectures                                                          |
+------------------------------------------------------------------------------+

Arch check ok (armhf included in any all)

+------------------------------------------------------------------------------+
| Install package build dependencies                                           |
+------------------------------------------------------------------------------+


Setup apt archive
-----------------

Merged Build-Depends: autoconf, bison, debhelper (>= 11), dh-python, flex, libcapture-tiny-perl, libcarp-assert-perl, libchemistry-openbabel-perl, libclone-perl, libdate-calc-perl, libdatetime-format-rfc3339-perl, libdbd-mysql-perl, libdbd-sqlite3-perl, libdbi-perl, libdigest-sha-perl, libhtml-parser-perl, libjson-perl, liblist-moreutils-perl, libmodule-scandeps-perl, libparse-yapp-perl, libsymspg-dev, moreutils, perl, python-dev, python-setuptools, python3-dev, python3-setuptools, swig, tree
Filtered Build-Depends: autoconf, bison, debhelper (>= 11), dh-python, flex, libcapture-tiny-perl, libcarp-assert-perl, libchemistry-openbabel-perl, libclone-perl, libdate-calc-perl, libdatetime-format-rfc3339-perl, libdbd-mysql-perl, libdbd-sqlite3-perl, libdbi-perl, libdigest-sha-perl, libhtml-parser-perl, libjson-perl, liblist-moreutils-perl, libmodule-scandeps-perl, libparse-yapp-perl, libsymspg-dev, moreutils, perl, python-dev, python-setuptools, python3-dev, python3-setuptools, swig, tree
dpkg-deb: building package 'sbuild-build-depends-cod-tools-dummy' in '/<<BUILDDIR>>/resolver-4Sn4gG/apt_archive/sbuild-build-depends-cod-tools-dummy.deb'.
dpkg-scanpackages: warning: Packages in archive but missing from override file:
dpkg-scanpackages: warning:   sbuild-build-depends-cod-tools-dummy sbuild-build-depends-core-dummy
dpkg-scanpackages: info: Wrote 2 entries to output Packages file.
gpg: using "Sbuild Signer" as default secret key for signing
Ign:1 copy:/<<BUILDDIR>>/resolver-4Sn4gG/apt_archive ./ InRelease
Get:2 copy:/<<BUILDDIR>>/resolver-4Sn4gG/apt_archive ./ Release [963 B]
Get:3 copy:/<<BUILDDIR>>/resolver-4Sn4gG/apt_archive ./ Release.gpg [370 B]
Get:4 copy:/<<BUILDDIR>>/resolver-4Sn4gG/apt_archive ./ Sources [687 B]
Get:5 copy:/<<BUILDDIR>>/resolver-4Sn4gG/apt_archive ./ Packages [768 B]
Fetched 2788 B in 1s (3611 B/s)
Reading package lists...
W: No sandbox user '_apt' on the system, can not drop privileges
Reading package lists...

Install cod-tools build dependencies (apt-based resolver)
---------------------------------------------------------

Installing build dependencies
Reading package lists...
Building dependency tree...
Reading state information...
The following packages were automatically installed and are no longer required:
  ca-certificates dbus dbus-user-session e2fsprogs-l10n libnss-systemd
  libpam-systemd libsasl2-modules openssl systemd-sysv
Use 'apt autoremove' to remove them.
The following additional packages will be installed:
  autoconf automake autopoint autotools-dev bison bsdmainutils debhelper
  dh-autoreconf dh-python dh-strip-nondeterminism dwz file flex
  fontconfig-config fonts-dejavu-core gettext gettext-base groff-base
  intltool-debian libalgorithm-c3-perl libarchive-zip-perl
  libb-hooks-endofscope-perl libb-hooks-op-check-perl libbison-dev
  libbit-vector-perl libbsd0 libcairo2 libcapture-tiny-perl
  libcarp-assert-perl libcarp-clan-perl libchemistry-openbabel-perl
  libclass-c3-perl libclass-data-inheritable-perl libclass-inspector-perl
  libclass-method-modifiers-perl libclass-singleton-perl libclone-perl
  libcroco3 libdata-optlist-perl libdate-calc-perl
  libdatetime-format-rfc3339-perl libdatetime-locale-perl libdatetime-perl
  libdatetime-timezone-perl libdbd-mysql-perl libdbd-sqlite3-perl libdbi-perl
  libdevel-callchecker-perl libdevel-stacktrace-perl
  libdynaloader-functions-perl libelf1 libeval-closure-perl
  libexception-class-perl libexpat1-dev libexporter-tiny-perl
  libfile-sharedir-perl libfile-stripnondeterminism-perl libfontconfig1
  libfreetype6 libglib2.0-0 libgraphite2-3 libharfbuzz0b libhtml-parser-perl
  libhtml-tagset-perl libicu-le-hb0 libicu60 libio-pty-perl libipc-run-perl
  libjson-perl liblist-moreutils-perl libmagic-mgc libmagic1
  libmariadbclient18 libmodule-implementation-perl libmodule-runtime-perl
  libmodule-scandeps-perl libmpdec2 libmro-compat-perl
  libnamespace-autoclean-perl libnamespace-clean-perl libopenbabel4v5
  libpackage-stash-perl libparams-classify-perl libparams-util-perl
  libparams-validationcompiler-perl libparse-yapp-perl libpipeline1
  libpixman-1-0 libpython-dev libpython-stdlib libpython2-dev
  libpython2-stdlib libpython2.7 libpython2.7-dev libpython2.7-minimal
  libpython2.7-stdlib libpython3-dev libpython3-stdlib libpython3.6
  libpython3.6-dev libpython3.6-minimal libpython3.6-stdlib librole-tiny-perl
  libsigsegv2 libspecio-perl libsub-exporter-perl
  libsub-exporter-progressive-perl libsub-identify-perl libsub-install-perl
  libsub-name-perl libsub-quote-perl libsymspg-dev libsymspg1 libtimedate-perl
  libtool libtry-tiny-perl liburi-perl libvariable-magic-perl libx11-6
  libx11-data libxau6 libxcb-render0 libxcb-shm0 libxcb1 libxdmcp6 libxext6
  libxml2 libxrender1 m4 man-db mime-support moreutils mysql-common po-debconf
  python python-dev python-minimal python-pkg-resources python-setuptools
  python2 python2-dev python2-minimal python2.7 python2.7-dev
  python2.7-minimal python3 python3-dev python3-distutils python3-lib2to3
  python3-minimal python3-pkg-resources python3-setuptools python3.6
  python3.6-dev python3.6-minimal swig swig3.0 tree ucf
Suggested packages:
  autoconf-archive gnu-standards autoconf-doc bison-doc wamerican | wordlist
  whois vacation dh-make flex-doc gettext-doc libasprintf-dev libgettextpo-dev
  groff libmldbm-perl libnet-daemon-perl libsql-statement-perl
  libdata-dump-perl libscalar-number-perl libtest-fatal-perl libtool-doc
  gfortran | fortran95-compiler gcj-jdk libwww-perl m4-doc apparmor less
  www-browser libtime-duration-perl libmail-box-perl python-doc python-tk
  python-setuptools-doc python2-doc python2.7-doc binfmt-support python3-doc
  python3-tk python3-venv python3.6-venv python3.6-doc swig-doc swig-examples
  swig3.0-examples swig3.0-doc
Recommended packages:
  libfl-dev curl | wget | lynx libclass-c3-xs-perl libdate-calc-xs-perl
  libdevel-lexalias-perl libarchive-cpio-perl libglib2.0-data shared-mime-info
  xdg-user-dirs libhttp-message-perl libjson-xs-perl libpackage-stash-xs-perl
  libref-util-perl libltdl-dev libmail-sendmail-perl
The following NEW packages will be installed:
  autoconf automake autopoint autotools-dev bison bsdmainutils debhelper
  dh-autoreconf dh-python dh-strip-nondeterminism dwz file flex
  fontconfig-config fonts-dejavu-core gettext gettext-base groff-base
  intltool-debian libalgorithm-c3-perl libarchive-zip-perl
  libb-hooks-endofscope-perl libb-hooks-op-check-perl libbison-dev
  libbit-vector-perl libbsd0 libcairo2 libcapture-tiny-perl
  libcarp-assert-perl libcarp-clan-perl libchemistry-openbabel-perl
  libclass-c3-perl libclass-data-inheritable-perl libclass-inspector-perl
  libclass-method-modifiers-perl libclass-singleton-perl libclone-perl
  libcroco3 libdata-optlist-perl libdate-calc-perl
  libdatetime-format-rfc3339-perl libdatetime-locale-perl libdatetime-perl
  libdatetime-timezone-perl libdbd-mysql-perl libdbd-sqlite3-perl libdbi-perl
  libdevel-callchecker-perl libdevel-stacktrace-perl
  libdynaloader-functions-perl libelf1 libeval-closure-perl
  libexception-class-perl libexpat1-dev libexporter-tiny-perl
  libfile-sharedir-perl libfile-stripnondeterminism-perl libfontconfig1
  libfreetype6 libglib2.0-0 libgraphite2-3 libharfbuzz0b libhtml-parser-perl
  libhtml-tagset-perl libicu-le-hb0 libicu60 libio-pty-perl libipc-run-perl
  libjson-perl liblist-moreutils-perl libmagic-mgc libmagic1
  libmariadbclient18 libmodule-implementation-perl libmodule-runtime-perl
  libmodule-scandeps-perl libmpdec2 libmro-compat-perl
  libnamespace-autoclean-perl libnamespace-clean-perl libopenbabel4v5
  libpackage-stash-perl libparams-classify-perl libparams-util-perl
  libparams-validationcompiler-perl libparse-yapp-perl libpipeline1
  libpixman-1-0 libpython-dev libpython-stdlib libpython2-dev
  libpython2-stdlib libpython2.7 libpython2.7-dev libpython2.7-minimal
  libpython2.7-stdlib libpython3-dev libpython3-stdlib libpython3.6
  libpython3.6-dev libpython3.6-minimal libpython3.6-stdlib librole-tiny-perl
  libsigsegv2 libspecio-perl libsub-exporter-perl
  libsub-exporter-progressive-perl libsub-identify-perl libsub-install-perl
  libsub-name-perl libsub-quote-perl libsymspg-dev libsymspg1 libtimedate-perl
  libtool libtry-tiny-perl liburi-perl libvariable-magic-perl libx11-6
  libx11-data libxau6 libxcb-render0 libxcb-shm0 libxcb1 libxdmcp6 libxext6
  libxml2 libxrender1 m4 man-db mime-support moreutils mysql-common po-debconf
  python python-dev python-minimal python-pkg-resources python-setuptools
  python2 python2-dev python2-minimal python2.7 python2.7-dev
  python2.7-minimal python3 python3-dev python3-distutils python3-lib2to3
  python3-minimal python3-pkg-resources python3-setuptools python3.6
  python3.6-dev python3.6-minimal sbuild-build-depends-cod-tools-dummy swig
  swig3.0 tree ucf
0 upgraded, 160 newly installed, 0 to remove and 41 not upgraded.
Need to get 118 MB/121 MB of archives.
After this operation, 292 MB of additional disk space will be used.
Get:1 copy:/<<BUILDDIR>>/resolver-4Sn4gG/apt_archive ./ sbuild-build-depends-cod-tools-dummy 0.invalid.0 [1052 B]
Get:2 http://172.17.0.1/private buster-staging/main armhf libbsd0 armhf 0.9.1-1 [104 kB]
Get:3 http://172.17.0.1/private buster-staging/main armhf bsdmainutils armhf 11.1.2 [182 kB]
Get:4 http://172.17.0.1/private buster-staging/main armhf groff-base armhf 1.22.3-10 [1005 kB]
Get:5 http://172.17.0.1/private buster-staging/main armhf libpipeline1 armhf 1.5.0-1 [24.6 kB]
Get:6 http://172.17.0.1/private buster-staging/main armhf man-db armhf 2.8.3-2 [1146 kB]
Get:7 http://172.17.0.1/private buster-staging/main armhf libsigsegv2 armhf 2.12-2 [32.3 kB]
Get:8 http://172.17.0.1/private buster-staging/main armhf m4 armhf 1.4.18-1 [185 kB]
Get:9 http://172.17.0.1/private buster-staging/main armhf flex armhf 2.6.4-6.1 [427 kB]
Get:10 http://172.17.0.1/private buster-staging/main armhf libpython2.7-minimal armhf 2.7.15-1 [393 kB]
Get:11 http://172.17.0.1/private buster-staging/main armhf python2.7-minimal armhf 2.7.15-1 [1077 kB]
Get:12 http://172.17.0.1/private buster-staging/main armhf python2-minimal armhf 2.7.15-3 [41.3 kB]
Get:13 http://172.17.0.1/private buster-staging/main armhf python-minimal armhf 2.7.15-3 [20.9 kB]
Get:14 http://172.17.0.1/private buster-staging/main armhf mime-support all 3.61 [37.1 kB]
Get:15 http://172.17.0.1/private buster-staging/main armhf libpython2.7-stdlib armhf 2.7.15-1 [1841 kB]
Get:16 http://172.17.0.1/private buster-staging/main armhf python2.7 armhf 2.7.15-1 [298 kB]
Get:17 http://172.17.0.1/private buster-staging/main armhf libpython2-stdlib armhf 2.7.15-3 [20.7 kB]
Get:18 http://172.17.0.1/private buster-staging/main armhf libpython-stdlib armhf 2.7.15-3 [20.7 kB]
Get:19 http://172.17.0.1/private buster-staging/main armhf python2 armhf 2.7.15-3 [41.5 kB]
Get:20 http://172.17.0.1/private buster-staging/main armhf python armhf 2.7.15-3 [22.7 kB]
Get:21 http://172.17.0.1/private buster-staging/main armhf libpython3.6-minimal armhf 3.6.6-1 [565 kB]
Get:22 http://172.17.0.1/private buster-staging/main armhf python3.6-minimal armhf 3.6.6-1 [1383 kB]
Get:23 http://172.17.0.1/private buster-staging/main armhf python3-minimal armhf 3.6.5-3 [36.2 kB]
Get:24 http://172.17.0.1/private buster-staging/main armhf libmpdec2 armhf 2.4.2-2 [67.2 kB]
Get:25 http://172.17.0.1/private buster-staging/main armhf libpython3.6-stdlib armhf 3.6.6-1 [1638 kB]
Get:26 http://172.17.0.1/private buster-staging/main armhf python3.6 armhf 3.6.6-1 [234 kB]
Get:27 http://172.17.0.1/private buster-staging/main armhf libpython3-stdlib armhf 3.6.5-3 [19.7 kB]
Get:28 http://172.17.0.1/private buster-staging/main armhf python3 armhf 3.6.5-3 [24.1 kB]
Get:29 http://172.17.0.1/private buster-staging/main armhf libmagic-mgc armhf 1:5.33-3 [234 kB]
Get:30 http://172.17.0.1/private buster-staging/main armhf libmagic1 armhf 1:5.33-3 [106 kB]
Get:31 http://172.17.0.1/private buster-staging/main armhf file armhf 1:5.33-3 [64.7 kB]
Get:32 http://172.17.0.1/private buster-staging/main armhf gettext-base armhf 0.19.8.1-6 [117 kB]
Get:33 http://172.17.0.1/private buster-staging/main armhf autoconf all 2.69-11 [341 kB]
Get:34 http://172.17.0.1/private buster-staging/main armhf autotools-dev all 20180224.1 [77.0 kB]
Get:35 http://172.17.0.1/private buster-staging/main armhf automake all 1:1.15.1-3.1 [736 kB]
Get:36 http://172.17.0.1/private buster-staging/main armhf autopoint all 0.19.8.1-6 [434 kB]
Get:37 http://172.17.0.1/private buster-staging/main armhf libbison-dev armhf 2:3.0.4.dfsg-1+b1 [433 kB]
Get:38 http://172.17.0.1/private buster-staging/main armhf bison armhf 2:3.0.4.dfsg-1+b1 [743 kB]
Get:39 http://172.17.0.1/private buster-staging/main armhf libtool all 2.4.6-2.1 [547 kB]
Get:40 http://172.17.0.1/private buster-staging/main armhf dh-autoreconf all 19 [16.9 kB]
Get:41 http://172.17.0.1/private buster-staging/main armhf libarchive-zip-perl all 1.60-1 [95.6 kB]
Get:42 http://172.17.0.1/private buster-staging/main armhf libfile-stripnondeterminism-perl all 0.042-1 [20.1 kB]
Get:43 http://172.17.0.1/private buster-staging/main armhf libtimedate-perl all 2.3000-2 [42.2 kB]
Get:44 http://172.17.0.1/private buster-staging/main armhf dh-strip-nondeterminism all 0.042-1 [12.1 kB]
Get:45 http://172.17.0.1/private buster-staging/main armhf libelf1 armhf 0.170-0.5 [160 kB]
Get:46 http://172.17.0.1/private buster-staging/main armhf dwz armhf 0.12-2 [67.4 kB]
Get:47 http://172.17.0.1/private buster-staging/main armhf libglib2.0-0 armhf 2.56.1-2 [2754 kB]
Get:48 http://172.17.0.1/private buster-staging/main armhf libharfbuzz0b armhf 1.8.2-2 [832 kB]
Get:49 http://172.17.0.1/private buster-staging/main armhf libicu-le-hb0 armhf 1.0.3+git161113-5 [12.8 kB]
Get:50 http://172.17.0.1/private buster-staging/main armhf libicu60 armhf 60.2-6 [7789 kB]
Get:51 http://172.17.0.1/private buster-staging/main armhf libxml2 armhf 2.9.4+dfsg1-7 [602 kB]
Get:52 http://172.17.0.1/private buster-staging/main armhf gettext armhf 0.19.8.1-6 [1218 kB]
Get:53 http://172.17.0.1/private buster-staging/main armhf intltool-debian all 0.35.0+20060710.4 [26.3 kB]
Get:54 http://172.17.0.1/private buster-staging/main armhf po-debconf all 1.0.20 [247 kB]
Get:55 http://172.17.0.1/private buster-staging/main armhf debhelper all 11.3.5 [981 kB]
Get:56 http://172.17.0.1/private buster-staging/main armhf dh-python all 3.20180326 [93.2 kB]
Get:57 http://172.17.0.1/private buster-staging/main armhf fontconfig-config all 2.13.0-5 [280 kB]
Get:58 http://172.17.0.1/private buster-staging/main armhf libalgorithm-c3-perl all 0.10-1 [12.0 kB]
Get:59 http://172.17.0.1/private buster-staging/main armhf libb-hooks-op-check-perl armhf 0.22-1 [10.9 kB]
Get:60 http://172.17.0.1/private buster-staging/main armhf libdynaloader-functions-perl all 0.003-1 [12.6 kB]
Get:61 http://172.17.0.1/private buster-staging/main armhf libdevel-callchecker-perl armhf 0.007-2+b1 [17.7 kB]
Get:62 http://172.17.0.1/private buster-staging/main armhf libparams-classify-perl armhf 0.015-1 [24.2 kB]
Get:63 http://172.17.0.1/private buster-staging/main armhf libmodule-runtime-perl all 0.016-1 [19.4 kB]
Get:64 http://172.17.0.1/private buster-staging/main armhf libtry-tiny-perl all 0.30-1 [23.3 kB]
Get:65 http://172.17.0.1/private buster-staging/main armhf libmodule-implementation-perl all 0.09-1 [12.9 kB]
Get:66 http://172.17.0.1/private buster-staging/main armhf libsub-exporter-progressive-perl all 0.001013-1 [7588 B]
Get:67 http://172.17.0.1/private buster-staging/main armhf libvariable-magic-perl armhf 0.62-1 [43.4 kB]
Get:68 http://172.17.0.1/private buster-staging/main armhf libb-hooks-endofscope-perl all 0.24-1 [18.6 kB]
Get:69 http://172.17.0.1/private buster-staging/main armhf libcarp-clan-perl all 6.06-1 [12.9 kB]
Get:70 http://172.17.0.1/private buster-staging/main armhf libbit-vector-perl armhf 7.4-1+b3 [140 kB]
Get:71 http://172.17.0.1/private buster-staging/main armhf libfontconfig1 armhf 2.13.0-5 [325 kB]
Get:72 http://172.17.0.1/private buster-staging/main armhf libx11-data all 2:1.6.5-1 [292 kB]
Get:73 http://172.17.0.1/private buster-staging/main armhf libx11-6 armhf 2:1.6.5-1 [683 kB]
Get:74 http://172.17.0.1/private buster-staging/main armhf libcairo2 armhf 1.15.10-3 [575 kB]
Get:75 http://172.17.0.1/private buster-staging/main armhf libcapture-tiny-perl all 0.48-1 [26.0 kB]
Get:76 http://172.17.0.1/private buster-staging/main armhf libcarp-assert-perl all 0.21-1 [18.2 kB]
Get:77 http://172.17.0.1/private buster-staging/main armhf libopenbabel4v5 armhf 2.3.2+dfsg-3+b1 [2468 kB]
Get:78 http://172.17.0.1/private buster-staging/main armhf libchemistry-openbabel-perl armhf 2.3.2+dfsg-3+b1 [743 kB]
Get:79 http://172.17.0.1/private buster-staging/main armhf libclass-c3-perl all 0.34-1 [22.4 kB]
Get:80 http://172.17.0.1/private buster-staging/main armhf libclass-data-inheritable-perl all 0.08-2 [9296 B]
Get:81 http://172.17.0.1/private buster-staging/main armhf libclass-inspector-perl all 1.32-1 [19.1 kB]
Get:82 http://172.17.0.1/private buster-staging/main armhf libclass-method-modifiers-perl all 2.12-1 [18.6 kB]
Get:83 http://172.17.0.1/private buster-staging/main armhf libclass-singleton-perl all 1.5-1 [13.5 kB]
Get:84 http://172.17.0.1/private buster-staging/main armhf libclone-perl armhf 0.39-1 [13.4 kB]
Get:85 http://172.17.0.1/private buster-staging/main armhf libparams-util-perl armhf 1.07-3+b2 [21.8 kB]
Get:86 http://172.17.0.1/private buster-staging/main armhf libsub-install-perl all 0.928-1 [11.4 kB]
Get:87 http://172.17.0.1/private buster-staging/main armhf libdata-optlist-perl all 0.110-1 [10.6 kB]
Get:88 http://172.17.0.1/private buster-staging/main armhf libdate-calc-perl all 6.4-1 [194 kB]
Get:89 http://172.17.0.1/private buster-staging/main armhf libfile-sharedir-perl all 1.114-1 [16.4 kB]
Get:90 http://172.17.0.1/private buster-staging/main armhf libpackage-stash-perl all 0.37-1 [20.8 kB]
Get:91 http://172.17.0.1/private buster-staging/main armhf libsub-identify-perl armhf 0.14-1 [11.5 kB]
Get:92 http://172.17.0.1/private buster-staging/main armhf libsub-name-perl armhf 0.21-1+b1 [13.1 kB]
Get:93 http://172.17.0.1/private buster-staging/main armhf libnamespace-clean-perl all 0.27-1 [17.3 kB]
Get:94 http://172.17.0.1/private buster-staging/main armhf libnamespace-autoclean-perl all 0.28-1 [14.7 kB]
Get:95 http://172.17.0.1/private buster-staging/main armhf libsub-exporter-perl all 0.987-1 [47.2 kB]
Get:96 http://172.17.0.1/private buster-staging/main armhf libeval-closure-perl all 0.14-1 [11.5 kB]
Get:97 http://172.17.0.1/private buster-staging/main armhf libdevel-stacktrace-perl all 2.0300-1 [28.0 kB]
Get:98 http://172.17.0.1/private buster-staging/main armhf libexception-class-perl all 1.44-1 [32.3 kB]
Get:99 http://172.17.0.1/private buster-staging/main armhf libparams-validationcompiler-perl all 0.27-1 [28.8 kB]
Get:100 http://172.17.0.1/private buster-staging/main armhf libmro-compat-perl all 0.13-1 [12.2 kB]
Get:101 http://172.17.0.1/private buster-staging/main armhf librole-tiny-perl all 2.000006-1 [19.4 kB]
Get:102 http://172.17.0.1/private buster-staging/main armhf libsub-quote-perl all 2.005001-1 [17.9 kB]
Get:103 http://172.17.0.1/private buster-staging/main armhf libspecio-perl all 0.42-1 [138 kB]
Get:104 http://172.17.0.1/private buster-staging/main armhf libdatetime-locale-perl all 1:1.22-1 [2287 kB]
Get:105 http://172.17.0.1/private buster-staging/main armhf libdatetime-timezone-perl all 1:2.19-1+2018e [271 kB]
Get:106 http://172.17.0.1/private buster-staging/main armhf libdatetime-perl armhf 2:1.49-1 [118 kB]
Get:107 http://172.17.0.1/private buster-staging/main armhf libdatetime-format-rfc3339-perl all 1.2.0-1 [10.4 kB]
Get:108 http://172.17.0.1/private buster-staging/main armhf libdbi-perl armhf 1.641-1 [765 kB]
Get:109 http://172.17.0.1/private buster-staging/main armhf libdbd-mysql-perl armhf 4.046-1 [113 kB]
Get:110 http://172.17.0.1/private buster-staging/main armhf libdbd-sqlite3-perl armhf 1.58-1 [159 kB]
Get:111 http://172.17.0.1/private buster-staging/main armhf libexporter-tiny-perl all 1.000000-2 [38.2 kB]
Get:112 http://172.17.0.1/private buster-staging/main armhf libhtml-tagset-perl all 3.20-3 [12.7 kB]
Get:113 http://172.17.0.1/private buster-staging/main armhf liburi-perl all 1.74-1 [89.4 kB]
Get:114 http://172.17.0.1/private buster-staging/main armhf libhtml-parser-perl armhf 3.72-3+b1 [101 kB]
Get:115 http://172.17.0.1/private buster-staging/main armhf libio-pty-perl armhf 1:1.08-1.1+b3 [32.9 kB]
Get:116 http://172.17.0.1/private buster-staging/main armhf libipc-run-perl all 20180523.0-1 [101 kB]
Get:117 http://172.17.0.1/private buster-staging/main armhf libjson-perl all 2.97001-1 [80.6 kB]
Get:118 http://172.17.0.1/private buster-staging/main armhf liblist-moreutils-perl armhf 0.416-1+b2 [59.2 kB]
Get:119 http://172.17.0.1/private buster-staging/main armhf libmodule-scandeps-perl all 1.24-1 [43.1 kB]
Get:120 http://172.17.0.1/private buster-staging/main armhf libparse-yapp-perl all 1.21-1 [46.5 kB]
Get:121 http://172.17.0.1/private buster-staging/main armhf libpython2.7 armhf 2.7.15-1 [886 kB]
Get:122 http://172.17.0.1/private buster-staging/main armhf libpython2.7-dev armhf 2.7.15-1 [27.6 MB]
Get:123 http://172.17.0.1/private buster-staging/main armhf libpython2-dev armhf 2.7.15-3 [20.8 kB]
Get:124 http://172.17.0.1/private buster-staging/main armhf libpython-dev armhf 2.7.15-3 [20.8 kB]
Get:125 http://172.17.0.1/private buster-staging/main armhf libpython3.6 armhf 3.6.6-1 [1185 kB]
Get:126 http://172.17.0.1/private buster-staging/main armhf libpython3.6-dev armhf 3.6.6-1 [43.7 MB]
Get:127 http://172.17.0.1/private buster-staging/main armhf libpython3-dev armhf 3.6.5-3 [19.7 kB]
Get:128 http://172.17.0.1/private buster-staging/main armhf libsymspg1 armhf 1.10.3-2 [68.7 kB]
Get:129 http://172.17.0.1/private buster-staging/main armhf libsymspg-dev armhf 1.10.3-2 [76.9 kB]
Get:130 http://172.17.0.1/private buster-staging/main armhf moreutils armhf 0.62-1 [68.6 kB]
Get:131 http://172.17.0.1/private buster-staging/main armhf python2.7-dev armhf 2.7.15-1 [289 kB]
Get:132 http://172.17.0.1/private buster-staging/main armhf python2-dev armhf 2.7.15-3 [1216 B]
Get:133 http://172.17.0.1/private buster-staging/main armhf python-dev armhf 2.7.15-3 [1192 B]
Get:134 http://172.17.0.1/private buster-staging/main armhf python-pkg-resources all 39.2.0-1 [171 kB]
Get:135 http://172.17.0.1/private buster-staging/main armhf python-setuptools all 39.2.0-1 [375 kB]
Get:136 http://172.17.0.1/private buster-staging/main armhf python3.6-dev armhf 3.6.6-1 [508 kB]
Get:137 http://172.17.0.1/private buster-staging/main armhf python3-lib2to3 all 3.6.6-1 [79.1 kB]
Get:138 http://172.17.0.1/private buster-staging/main armhf python3-distutils all 3.6.6-1 [144 kB]
Get:139 http://172.17.0.1/private buster-staging/main armhf python3-dev armhf 3.6.5-3 [1268 B]
Get:140 http://172.17.0.1/private buster-staging/main armhf python3-pkg-resources all 39.2.0-1 [142 kB]
Get:141 http://172.17.0.1/private buster-staging/main armhf python3-setuptools all 39.2.0-1 [292 kB]
Get:142 http://172.17.0.1/private buster-staging/main armhf swig3.0 armhf 3.0.12-1.1 [1225 kB]
Get:143 http://172.17.0.1/private buster-staging/main armhf swig armhf 3.0.12-1.1 [310 kB]
Get:144 http://172.17.0.1/private buster-staging/main armhf tree armhf 1.7.0-5 [41.4 kB]
debconf: delaying package configuration, since apt-utils is not installed
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update-alternatives: using /usr/bin/automake-1.15 to provide /usr/bin/automake (automake) in auto mode
Setting up man-db (2.8.3-2) ...
Not building database; man-db/auto-update is not 'true'.
Setting up libpython2-stdlib:armhf (2.7.15-3) ...
Setting up libpython2.7-dev:armhf (2.7.15-1) ...
Setting up libeval-closure-perl (0.14-1) ...
Setting up libparams-validationcompiler-perl (0.27-1) ...
Setting up libfile-sharedir-perl (1.114-1) ...
Setting up libdbd-mysql-perl (4.046-1) ...
Setting up python2.7-dev (2.7.15-1) ...
Setting up libparams-classify-perl (0.015-1) ...
Setting up libxcb1:armhf (1.13-1) ...
Setting up libpython3.6:armhf (3.6.6-1) ...
Setting up libtool (2.4.6-2.1) ...
Setting up libpython3-stdlib:armhf (3.6.5-3) ...
Setting up libfontconfig1:armhf (2.13.0-5) ...
Setting up libxcb-render0:armhf (1.13-1) ...
Setting up python3 (3.6.5-3) ...
Setting up libmodule-runtime-perl (0.016-1) ...
Setting up libx11-6:armhf (2:1.6.5-1) ...
Setting up python3-pkg-resources (39.2.0-1) ...
Setting up libpython3.6-dev:armhf (3.6.6-1) ...
Setting up python2 (2.7.15-3) ...
Setting up libpython2-dev:armhf (2.7.15-3) ...
Setting up libpython-stdlib:armhf (2.7.15-3) ...
Setting up python2-dev (2.7.15-3) ...
Setting up libxcb-shm0:armhf (1.13-1) ...
Setting up libxrender1:armhf (1:0.9.10-1) ...
Setting up libspecio-perl (0.42-1) ...
Setting up python3.6-dev (3.6.6-1) ...
Setting up python3-lib2to3 (3.6.6-1) ...
Setting up dh-python (3.20180326) ...
Setting up python3-distutils (3.6.6-1) ...
Setting up python (2.7.15-3) ...
Setting up libpython3-dev:armhf (3.6.5-3) ...
Setting up libpython-dev:armhf (2.7.15-3) ...
Setting up libxext6:armhf (2:1.3.3-1+b2) ...
Setting up libmodule-implementation-perl (0.09-1) ...
Setting up python-dev (2.7.15-3) ...
Setting up python3-dev (3.6.5-3) ...
Setting up python-pkg-resources (39.2.0-1) ...
Setting up libb-hooks-endofscope-perl (0.24-1) ...
Setting up python3-setuptools (39.2.0-1) ...
Setting up libpackage-stash-perl (0.37-1) ...
Setting up libcairo2:armhf (1.15.10-3) ...
Setting up python-setuptools (39.2.0-1) ...
Setting up libnamespace-clean-perl (0.27-1) ...
Setting up libnamespace-autoclean-perl (0.28-1) ...
Setting up libdatetime-timezone-perl (1:2.19-1+2018e) ...
Setting up libdatetime-locale-perl (1:1.22-1) ...
Setting up libdatetime-perl (2:1.49-1) ...
Setting up libdatetime-format-rfc3339-perl (1.2.0-1) ...
Setting up libicu-le-hb0:armhf (1.0.3+git161113-5) ...
Setting up libicu60:armhf (60.2-6) ...
Setting up dh-autoreconf (19) ...
Setting up libxml2:armhf (2.9.4+dfsg1-7) ...
Setting up libcroco3:armhf (0.6.12-2) ...
Setting up libopenbabel4v5 (2.3.2+dfsg-3+b1) ...
Setting up libchemistry-openbabel-perl (2.3.2+dfsg-3+b1) ...
Setting up gettext (0.19.8.1-6) ...
Setting up intltool-debian (0.35.0+20060710.4) ...
Setting up po-debconf (1.0.20) ...
Setting up debhelper (11.3.5) ...
Setting up sbuild-build-depends-cod-tools-dummy (0.invalid.0) ...
Setting up dh-strip-nondeterminism (0.042-1) ...
Processing triggers for libc-bin (2.27-3+rpi1) ...
W: No sandbox user '_apt' on the system, can not drop privileges

+------------------------------------------------------------------------------+
| Build environment                                                            |
+------------------------------------------------------------------------------+

Kernel: Linux 4.8.0-0.bpo.2-armmp armhf (armv7l)
Toolchain package versions: binutils_2.30-21+rpi1 dpkg-dev_1.19.0.5 g++-7_7.3.0-19 gcc-7_7.3.0-19 libc6-dev_2.27-3+rpi1 libstdc++-7-dev_7.3.0-19 libstdc++6_8.1.0-8+rpi1 linux-libc-dev_4.16.12-1+rpi1
Package versions: adduser_3.117 apt_1.6.1 autoconf_2.69-11 automake_1:1.15.1-3.1 autopoint_0.19.8.1-6 autotools-dev_20180224.1 base-files_10.1+rpi1 base-passwd_3.5.45 bash_4.4.18-3 binutils_2.30-21+rpi1 binutils-arm-linux-gnueabihf_2.30-21+rpi1 binutils-common_2.30-21+rpi1 bison_2:3.0.4.dfsg-1+b1 bsdmainutils_11.1.2 bsdutils_1:2.32-0.1 build-essential_12.5 bzip2_1.0.6-8.1 ca-certificates_20170717 coreutils_8.28-1 cpio_2.12+dfsg-6 cpp_4:7.3.0-3+rpi1 cpp-7_7.3.0-19 dash_0.5.8-2.10 dbus_1.12.8-3 dbus-user-session_1.12.8-3 debconf_1.5.67 debhelper_11.3.5 debianutils_4.8.6 dh-autoreconf_19 dh-python_3.20180326 dh-strip-nondeterminism_0.042-1 diffutils_1:3.6-1 dirmngr_2.2.8-1 dmsetup_2:1.02.145-4.1+b4 dpkg_1.19.0.5 dpkg-dev_1.19.0.5 dwz_0.12-2 e2fslibs_1.44.2-1 e2fsprogs_1.44.2-1 e2fsprogs-l10n_1.44.2-1 fakeroot_1.22-2 fdisk_2.32-0.1 file_1:5.33-3 findutils_4.6.0+git+20171230-2 flex_2.6.4-6.1 fontconfig-config_2.13.0-5 fonts-dejavu-core_2.37-1 g++_4:7.3.0-3+rpi1 g++-7_7.3.0-19 gcc_4:7.3.0-3+rpi1 gcc-4.6-base_4.6.4-5+rpi1 gcc-4.7-base_4.7.3-11+rpi1 gcc-4.8-base_4.8.5-4 gcc-4.9-base_4.9.4-2+rpi1+b7 gcc-5-base_5.5.0-8 gcc-7_7.3.0-19 gcc-7-base_7.3.0-19 gcc-8-base_8.1.0-8+rpi1 gettext_0.19.8.1-6 gettext-base_0.19.8.1-6 gnupg_2.2.8-1 gnupg-agent_2.2.8-1 gnupg-l10n_2.2.8-1 gnupg-utils_2.2.8-1 gpg_2.2.8-1 gpg-agent_2.2.8-1 gpg-wks-client_2.2.8-1 gpg-wks-server_2.2.8-1 gpgconf_2.2.8-1 gpgsm_2.2.8-1 gpgv_2.2.8-1 grep_3.1-2 groff-base_1.22.3-10 gzip_1.6-5 hostname_3.20 inetutils-ping_2:1.9.4-3 init-system-helpers_1.51 initramfs-tools_0.130 initramfs-tools-core_0.130 intltool-debian_0.35.0+20060710.4 klibc-utils_2.0.4-11+rpi1 kmod_25-1 libacl1_2.2.52-3 libalgorithm-c3-perl_0.10-1 libapparmor1_2.12-4 libapt-pkg5.0_1.6.1 libarchive-zip-perl_1.60-1 libargon2-0_0~20161029-2 libasan4_7.3.0-19 libassuan0_2.5.1-2 libatomic1_8.1.0-8+rpi1 libattr1_1:2.4.47-2 libaudit-common_1:2.8.3-1 libaudit1_1:2.8.3-1 libb-hooks-endofscope-perl_0.24-1 libb-hooks-op-check-perl_0.22-1 libbinutils_2.30-21+rpi1 libbison-dev_2:3.0.4.dfsg-1+b1 libbit-vector-perl_7.4-1+b3 libblkid1_2.32-0.1 libbsd0_0.9.1-1 libbz2-1.0_1.0.6-8.1 libc-bin_2.27-3+rpi1 libc-dev-bin_2.27-3+rpi1 libc6_2.27-3+rpi1 libc6-dev_2.27-3+rpi1 libcairo2_1.15.10-3 libcap-ng0_0.7.9-1 libcap2_1:2.25-1.2 libcapture-tiny-perl_0.48-1 libcarp-assert-perl_0.21-1 libcarp-clan-perl_6.06-1 libcc1-0_8.1.0-8+rpi1 libchemistry-openbabel-perl_2.3.2+dfsg-3+b1 libcilkrts5_7.3.0-19 libclass-c3-perl_0.34-1 libclass-data-inheritable-perl_0.08-2 libclass-inspector-perl_1.32-1 libclass-method-modifiers-perl_2.12-1 libclass-singleton-perl_1.5-1 libclone-perl_0.39-1 libcom-err2_1.44.2-1 libcroco3_0.6.12-2 libcryptsetup12_2:2.0.2-1 libcryptsetup4_2:1.7.5-1 libdata-optlist-perl_0.110-1 libdate-calc-perl_6.4-1 libdatetime-format-rfc3339-perl_1.2.0-1 libdatetime-locale-perl_1:1.22-1 libdatetime-perl_2:1.49-1 libdatetime-timezone-perl_1:2.19-1+2018e libdb5.3_5.3.28-13.1 libdbd-mysql-perl_4.046-1 libdbd-sqlite3-perl_1.58-1 libdbi-perl_1.641-1 libdbus-1-3_1.12.8-3 libdebconfclient0_0.243 libdevel-callchecker-perl_0.007-2+b1 libdevel-stacktrace-perl_2.0300-1 libdevmapper1.02.1_2:1.02.145-4.1+b4 libdpkg-perl_1.19.0.5 libdrm-common_2.4.92-1+rpi1 libdrm2_2.4.92-1+rpi1 libdynaloader-functions-perl_0.003-1 libelf1_0.170-0.5 libeval-closure-perl_0.14-1 libexception-class-perl_1.44-1 libexpat1_2.2.5-3 libexpat1-dev_2.2.5-3 libexporter-tiny-perl_1.000000-2 libext2fs2_1.44.2-1 libfakeroot_1.22-2 libfdisk1_2.32-0.1 libffi6_3.2.1-8 libfile-sharedir-perl_1.114-1 libfile-stripnondeterminism-perl_0.042-1 libfontconfig1_2.13.0-5 libfreetype6_2.8.1-2 libgcc-7-dev_7.3.0-19 libgcc1_1:8.1.0-8+rpi1 libgcrypt20_1.8.3-1 libgdbm-compat4_1.14.1-6 libgdbm3_1.8.3-14 libgdbm5_1.14.1-6 libglib2.0-0_2.56.1-2 libgmp10_2:6.1.2+dfsg-3 libgnutls30_3.5.18-1 libgomp1_8.1.0-8+rpi1 libgpg-error0_1.31-1 libgraphite2-3_1.3.11-2 libharfbuzz0b_1.8.2-2 libhogweed4_3.4-1 libhtml-parser-perl_3.72-3+b1 libhtml-tagset-perl_3.20-3 libicu-le-hb0_1.0.3+git161113-5 libicu60_60.2-6 libidn11_1.33-2.2 libidn2-0_2.0.4-1.1 libio-pty-perl_1:1.08-1.1+b3 libip4tc0_1.6.2-1 libipc-run-perl_20180523.0-1 libisl19_0.19-1 libjson-c3_0.12.1-1.3 libjson-perl_2.97001-1 libklibc_2.0.4-11+rpi1 libkmod2_25-1 libksba8_1.3.5-2 libldap-2.4-2_2.4.46+dfsg-5+rpi1 libldap-common_2.4.46+dfsg-5+rpi1 liblist-moreutils-perl_0.416-1+b2 liblocale-gettext-perl_1.07-3+b2 liblz4-1_1.8.2-1+rpi1 liblzma5_5.2.2-1.3 libmagic-mgc_1:5.33-3 libmagic1_1:5.33-3 libmariadbclient18_1:10.1.29-6+b1 libmodule-implementation-perl_0.09-1 libmodule-runtime-perl_0.016-1 libmodule-scandeps-perl_1.24-1 libmount1_2.32-0.1 libmpc3_1.1.0-1 libmpdec2_2.4.2-2 libmpfr6_4.0.1-1 libmro-compat-perl_0.13-1 libnamespace-autoclean-perl_0.28-1 libnamespace-clean-perl_0.27-1 libncurses5_6.1+20180210-4 libncurses6_6.1+20180210-4 libncursesw5_6.1+20180210-4 libncursesw6_6.1+20180210-4 libnettle6_3.4-1 libnpth0_1.5-4 libnss-systemd_238-4 libopenbabel4v5_2.3.2+dfsg-3+b1 libp11-kit0_0.23.12-2 libpackage-stash-perl_0.37-1 libpam-modules_1.1.8-3.7 libpam-modules-bin_1.1.8-3.7 libpam-runtime_1.1.8-3.7 libpam-systemd_238-4 libpam0g_1.1.8-3.7 libparams-classify-perl_0.015-1 libparams-util-perl_1.07-3+b2 libparams-validationcompiler-perl_0.27-1 libparse-yapp-perl_1.21-1 libpcre3_2:8.39-9 libperl5.24_5.24.1-4 libperl5.26_5.26.2-6 libpipeline1_1.5.0-1 libpixman-1-0_0.34.0-2 libplymouth4_0.9.3-3 libpng16-16_1.6.34-1 libprocps7_2:3.3.15-2 libpython-dev_2.7.15-3 libpython-stdlib_2.7.15-3 libpython2-dev_2.7.15-3 libpython2-stdlib_2.7.15-3 libpython2.7_2.7.15-1 libpython2.7-dev_2.7.15-1 libpython2.7-minimal_2.7.15-1 libpython2.7-stdlib_2.7.15-1 libpython3-dev_3.6.5-3 libpython3-stdlib_3.6.5-3 libpython3.6_3.6.6-1 libpython3.6-dev_3.6.6-1 libpython3.6-minimal_3.6.6-1 libpython3.6-stdlib_3.6.6-1 libreadline7_7.0-5 librole-tiny-perl_2.000006-1 libsasl2-2_2.1.27~101-g0780600+dfsg-3.1 libsasl2-modules_2.1.27~101-g0780600+dfsg-3.1 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libxcb-render0_1.13-1 libxcb-shm0_1.13-1 libxcb1_1.13-1 libxdmcp6_1:1.1.2-3 libxext6_2:1.3.3-1+b2 libxml2_2.9.4+dfsg1-7 libxrender1_1:0.9.10-1 libzstd1_1.3.4+dfsg-3+rpi1 linux-base_4.5 linux-libc-dev_4.16.12-1+rpi1 login_1:4.5-1 lsb-base_9.20170808+rpi1 m4_1.4.18-1 make_4.1-9.1 makedev_2.3.1-93 man-db_2.8.3-2 mawk_1.3.3-17 mime-support_3.61 moreutils_0.62-1 mount_2.32-0.1 multiarch-support_2.27-3+rpi1 mysql-common_5.8+1.0.4 nano_2.9.8-1 ncurses-base_6.1+20180210-4 ncurses-bin_6.1+20180210-4 netbase_5.4 openssl_1.1.0h-4 passwd_1:4.5-1 patch_2.7.6-2 perl_5.26.2-6 perl-base_5.26.2-6 perl-modules-5.24_5.24.1-7 perl-modules-5.26_5.26.2-6 pinentry-curses_1.1.0-1 plymouth_0.9.3-3 po-debconf_1.0.20 procps_2:3.3.15-2 python_2.7.15-3 python-dev_2.7.15-3 python-minimal_2.7.15-3 python-pkg-resources_39.2.0-1 python-setuptools_39.2.0-1 python2_2.7.15-3 python2-dev_2.7.15-3 python2-minimal_2.7.15-3 python2.7_2.7.15-1 python2.7-dev_2.7.15-1 python2.7-minimal_2.7.15-1 python3_3.6.5-3 python3-dev_3.6.5-3 python3-distutils_3.6.6-1 python3-lib2to3_3.6.6-1 python3-minimal_3.6.5-3 python3-pkg-resources_39.2.0-1 python3-setuptools_39.2.0-1 python3.6_3.6.6-1 python3.6-dev_3.6.6-1 python3.6-minimal_3.6.6-1 raspbian-archive-keyring_20120528.2 readline-common_7.0-5 sbuild-build-depends-cod-tools-dummy_0.invalid.0 sbuild-build-depends-core-dummy_0.invalid.0 sed_4.4-2 sensible-utils_0.0.12 swig_3.0.12-1.1 swig3.0_3.0.12-1.1 systemd_238-4 systemd-sysv_238-4 sysvinit-utils_2.88dsf-59.10 tar_1.30+dfsg-2 tree_1.7.0-5 tzdata_2018e-1 ucf_3.0038 udev_238-4 util-linux_2.32-0.1 xz-utils_5.2.2-1.3 zlib1g_1:1.2.11.dfsg-1

+------------------------------------------------------------------------------+
| Build                                                                        |
+------------------------------------------------------------------------------+


Unpack source
-------------

gpgv: unknown type of key resource 'trustedkeys.kbx'
gpgv: keyblock resource '/sbuild-nonexistent/.gnupg/trustedkeys.kbx': General error
gpgv: Signature made Fri Jul 13 08:31:33 2018 UTC
gpgv:                using RSA key 772292F6F7AC85FAE041D41EE5F43F9C2734F287
gpgv:                issuer "andrius.merkys@gmail.com"
gpgv: Can't check signature: No public key
dpkg-source: warning: failed to verify signature on ./cod-tools_2.2+dfsg-2.dsc
dpkg-source: info: extracting cod-tools in /<<BUILDDIR>>/cod-tools-2.2+dfsg
dpkg-source: info: unpacking cod-tools_2.2+dfsg.orig.tar.gz
dpkg-source: info: unpacking cod-tools_2.2+dfsg-2.debian.tar.xz
dpkg-source: info: applying codcif-svnversion.diff
dpkg-source: info: applying hardening.diff
dpkg-source: info: applying distclean-tmp.diff
dpkg-source: info: applying disable-test-network-access.diff
dpkg-source: info: applying spglib.diff

Check disc space
----------------

Sufficient free space for build

User Environment
----------------

APT_CONFIG=/var/lib/sbuild/apt.conf
DEB_BUILD_OPTIONS=parallel=4
HOME=/sbuild-nonexistent
LC_ALL=POSIX
LOGNAME=buildd
PATH=/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games
SCHROOT_ALIAS_NAME=buster-staging-armhf-sbuild
SCHROOT_CHROOT_NAME=buster-staging-armhf-sbuild
SCHROOT_COMMAND=env
SCHROOT_GID=109
SCHROOT_GROUP=buildd
SCHROOT_SESSION_ID=buster-staging-armhf-sbuild-794d934f-8de3-4728-8a0f-633fbbadbec1
SCHROOT_UID=104
SCHROOT_USER=buildd
SHELL=/bin/sh
TERM=linux
USER=buildd

dpkg-buildpackage
-----------------

dpkg-buildpackage: info: source package cod-tools
dpkg-buildpackage: info: source version 2.2+dfsg-2
dpkg-buildpackage: info: source distribution unstable
 dpkg-source --before-build cod-tools-2.2+dfsg
dpkg-buildpackage: info: host architecture armhf
 fakeroot debian/rules clean
dh clean --with python2,python3 --no-parallel
   dh_auto_clean -O--no-parallel
	make -j1 distclean
make[1]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg'
rm -f *~
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rm -f doc/man/cif-to-utf8.1 doc/man/cif2cod.1 doc/man/cif2csv.1 doc/man/cif2json.1 doc/man/cif2rdf.1 doc/man/cif2ref.1 doc/man/cif2xyz.1 doc/man/cif_CODify.1 doc/man/cif_Fcalc.1 doc/man/cif_adjust_journal_name_volume.1 doc/man/cif_bounding_box.1 doc/man/cif_cell_contents.1 doc/man/cif_classify.1 doc/man/cif_cod_check.1 doc/man/cif_cod_deposit.1 doc/man/cif_cod_numbers.1 doc/man/cif_correct_tags.1 doc/man/cif_create_AMCSD_pressure_temp_tags.1 doc/man/cif_dictionary_tags.1 doc/man/cif_diff.1 doc/man/cif_distances.1 doc/man/cif_estimate_Z.1 doc/man/cif_eval_numbers.1 doc/man/cif_fillcell.1 doc/man/cif_filter.1 doc/man/cif_find_duplicates.1 doc/man/cif_find_symmetry.1 doc/man/cif_fix_values.1 doc/man/cif_hkl_COD_number.1 doc/man/cif_hkl_check.1 doc/man/cif_mark_disorder.1 doc/man/cif_merge.1 doc/man/cif_molecule.1 doc/man/cif_mpod_v1_to_v2.1 doc/man/cif_mpod_v1_to_v3.1 doc/man/cif_mpod_v2_to_v1.1 doc/man/cif_mpod_v3_to_v1.1 doc/man/cif_overlay.1 doc/man/cif_p1.1 doc/man/cif_parse.1 doc/man/cif_parse_old_star.1 doc/man/cif_printout.1 doc/man/cif_reduce_Niggli.1 doc/man/cif_reduce_cell.1 doc/man/cif_reformat_AMCSD_author_names.1 doc/man/cif_reformat_pubmed_author_names.1 doc/man/cif_reformat_uppercase_author_names.1 doc/man/cif_select.1 doc/man/cif_set_value.1 doc/man/cif_sort_atoms.1 doc/man/cif_split.1 doc/man/cif_split_primitive.1 doc/man/cif_symop_apply.1 doc/man/cif_tags_in_list.1 doc/man/cif_tcod_tree.1 doc/man/cif_validate.1 doc/man/cif_values.1 doc/man/cod-tools-version.1 doc/man/cod2rdf.1 doc/man/cod_fetch.1 doc/man/cod_manage_related.1 doc/man/cod_predeposition_check.1 doc/man/codcif2sdf.1 doc/man/dic2markdown.1 doc/man/fetch_cif_dict.1 doc/man/find_numbers.1 doc/man/formula_sum.1 doc/man/json2cif.1 doc/man/molcif2sdf.1 doc/man/msg_parse.1 doc/man/oqmd2cif.1 doc/man/sdf_add_cod_data.1 doc/man/ssg3d.1 doc/man/ssg_symop_canonical.1 doc/man/ssg_symop_check.1 doc/man/ssg_symop_matrices.1 doc/man/ssg_symop_string.1 doc/man/symop_build_spacegroup.1 doc/man/utf8-to-cif.1 doc/man/cif_printout_Python.1 doc/man/cifparse.1 doc/man/cifvalues.1 doc/man/cif_list_tags.1
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rm -f lib/auto/COD/CIF/Parser/Bison/Bison.so lib/COD/CIF/Parser/Bison.pm
make[8]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/CIF/Parser/Bison'
make[7]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/CIF/Parser'
make[6]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/CIF'
make[5]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD'
make[4]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5'
make[3]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib'
make[2]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src'
make[1]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg'
   debian/rules override_dh_clean
make[1]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg'
dh_clean
for TPL in debian/templates/*; \
do rm -f debian/$(basename ${TPL}); \
done
make[1]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg'
 debian/rules build-arch
dh build-arch --with python2,python3 --no-parallel
   dh_update_autotools_config -a -O--no-parallel
   dh_autoreconf -a -O--no-parallel
   dh_auto_configure -a -O--no-parallel
   dh_auto_build -a -O--no-parallel
	make -j1 "INSTALL=install --strip-program=true"
make[1]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg'
Makefile:138: .diff.depend: No such file or directory
tools/mkperldepend scripts/cif-to-utf8 > scripts/.cif-to-utf8.d
tools/mkperldepend scripts/cif2cod > scripts/.cif2cod.d
tools/mkperldepend scripts/cif2csv > scripts/.cif2csv.d
tools/mkperldepend scripts/cif2json > scripts/.cif2json.d
tools/mkperldepend scripts/cif2rdf > scripts/.cif2rdf.d
tools/mkperldepend scripts/cif2ref > scripts/.cif2ref.d
tools/mkperldepend scripts/cif2xyz > scripts/.cif2xyz.d
tools/mkperldepend scripts/cif_CODify > scripts/.cif_CODify.d
tools/mkperldepend scripts/cif_Fcalc > scripts/.cif_Fcalc.d
tools/mkperldepend scripts/cif_adjust_journal_name_volume > scripts/.cif_adjust_journal_name_volume.d
tools/mkperldepend scripts/cif_bounding_box > scripts/.cif_bounding_box.d
tools/mkperldepend scripts/cif_cell_contents > scripts/.cif_cell_contents.d
tools/mkperldepend scripts/cif_classify > scripts/.cif_classify.d
tools/mkperldepend scripts/cif_cod_check > scripts/.cif_cod_check.d
tools/mkperldepend scripts/cif_cod_deposit > scripts/.cif_cod_deposit.d
tools/mkperldepend scripts/cif_cod_numbers > scripts/.cif_cod_numbers.d
tools/mkperldepend scripts/cif_correct_tags > scripts/.cif_correct_tags.d
tools/mkperldepend scripts/cif_create_AMCSD_pressure_temp_tags > scripts/.cif_create_AMCSD_pressure_temp_tags.d
tools/mkperldepend scripts/cif_dictionary_tags > scripts/.cif_dictionary_tags.d
tools/mkperldepend scripts/cif_diff > scripts/.cif_diff.d
tools/mkperldepend scripts/cif_distances > scripts/.cif_distances.d
tools/mkperldepend scripts/cif_estimate_Z > scripts/.cif_estimate_Z.d
tools/mkperldepend scripts/cif_eval_numbers > scripts/.cif_eval_numbers.d
tools/mkperldepend scripts/cif_fillcell > scripts/.cif_fillcell.d
tools/mkperldepend scripts/cif_filter > scripts/.cif_filter.d
tools/mkperldepend scripts/cif_find_duplicates > scripts/.cif_find_duplicates.d
tools/mkperldepend scripts/cif_find_symmetry > scripts/.cif_find_symmetry.d
tools/mkperldepend scripts/cif_fix_values > scripts/.cif_fix_values.d
tools/mkperldepend scripts/cif_hkl_COD_number > scripts/.cif_hkl_COD_number.d
tools/mkperldepend scripts/cif_hkl_check > scripts/.cif_hkl_check.d
tools/mkperldepend scripts/cif_mark_disorder > scripts/.cif_mark_disorder.d
tools/mkperldepend scripts/cif_merge > scripts/.cif_merge.d
tools/mkperldepend scripts/cif_molecule > scripts/.cif_molecule.d
tools/mkperldepend scripts/cif_mpod_v1_to_v2 > scripts/.cif_mpod_v1_to_v2.d
tools/mkperldepend scripts/cif_mpod_v1_to_v3 > scripts/.cif_mpod_v1_to_v3.d
tools/mkperldepend scripts/cif_mpod_v2_to_v1 > scripts/.cif_mpod_v2_to_v1.d
tools/mkperldepend scripts/cif_mpod_v3_to_v1 > scripts/.cif_mpod_v3_to_v1.d
tools/mkperldepend scripts/cif_overlay > scripts/.cif_overlay.d
tools/mkperldepend scripts/cif_p1 > scripts/.cif_p1.d
tools/mkperldepend scripts/cif_parse > scripts/.cif_parse.d
tools/mkperldepend scripts/cif_parse_old_star > scripts/.cif_parse_old_star.d
tools/mkperldepend scripts/cif_printout > scripts/.cif_printout.d
tools/mkperldepend scripts/cif_reduce_Niggli > scripts/.cif_reduce_Niggli.d
tools/mkperldepend scripts/cif_reduce_cell > scripts/.cif_reduce_cell.d
tools/mkperldepend scripts/cif_reformat_AMCSD_author_names > scripts/.cif_reformat_AMCSD_author_names.d
tools/mkperldepend scripts/cif_reformat_pubmed_author_names > scripts/.cif_reformat_pubmed_author_names.d
tools/mkperldepend scripts/cif_reformat_uppercase_author_names > scripts/.cif_reformat_uppercase_author_names.d
tools/mkperldepend scripts/cif_select > scripts/.cif_select.d
tools/mkperldepend scripts/cif_set_value > scripts/.cif_set_value.d
tools/mkperldepend scripts/cif_sort_atoms > scripts/.cif_sort_atoms.d
tools/mkperldepend scripts/cif_split > scripts/.cif_split.d
tools/mkperldepend scripts/cif_split_primitive > scripts/.cif_split_primitive.d
tools/mkperldepend scripts/cif_symop_apply > scripts/.cif_symop_apply.d
tools/mkperldepend scripts/cif_tags_in_list > scripts/.cif_tags_in_list.d
tools/mkperldepend scripts/cif_tcod_tree > scripts/.cif_tcod_tree.d
tools/mkperldepend scripts/cif_validate > scripts/.cif_validate.d
tools/mkperldepend scripts/cif_values > scripts/.cif_values.d
sed 's/@VERSION@/2.2/' scripts/cod-tools-version.in > scripts/cod-tools-version
chmod 755 scripts/cod-tools-version
tools/mkperldepend scripts/cod-tools-version > scripts/.cod-tools-version.d
tools/mkperldepend scripts/cod2rdf > scripts/.cod2rdf.d
tools/mkperldepend scripts/cod_fetch > scripts/.cod_fetch.d
tools/mkperldepend scripts/cod_manage_related > scripts/.cod_manage_related.d
tools/mkperldepend scripts/cod_predeposition_check > scripts/.cod_predeposition_check.d
tools/mkperldepend scripts/codcif2sdf > scripts/.codcif2sdf.d
tools/mkperldepend scripts/dic2markdown > scripts/.dic2markdown.d
tools/mkperldepend scripts/fetch_cif_dict > scripts/.fetch_cif_dict.d
tools/mkperldepend scripts/find_numbers > scripts/.find_numbers.d
tools/mkperldepend scripts/formula_sum > scripts/.formula_sum.d
tools/mkperldepend scripts/json2cif > scripts/.json2cif.d
tools/mkperldepend scripts/molcif2sdf > scripts/.molcif2sdf.d
tools/mkperldepend scripts/msg_parse > scripts/.msg_parse.d
tools/mkperldepend scripts/oqmd2cif > scripts/.oqmd2cif.d
tools/mkperldepend scripts/sdf_add_cod_data > scripts/.sdf_add_cod_data.d
tools/mkperldepend scripts/ssg3d > scripts/.ssg3d.d
tools/mkperldepend scripts/ssg_symop_canonical > scripts/.ssg_symop_canonical.d
tools/mkperldepend scripts/ssg_symop_check > scripts/.ssg_symop_check.d
tools/mkperldepend scripts/ssg_symop_matrices > scripts/.ssg_symop_matrices.d
tools/mkperldepend scripts/ssg_symop_string > scripts/.ssg_symop_string.d
tools/mkperldepend scripts/symop_build_spacegroup > scripts/.symop_build_spacegroup.d
tools/mkperldepend scripts/utf8-to-cif > scripts/.utf8-to-cif.d
make -C /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/Formulae/Parser/AdHoc/
make[2]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/Formulae/Parser/AdHoc'
yapp -v -m COD::Formulae::Parser::AdHoc -o lib/COD/Formulae/Parser/AdHoc.pm grammar.yp
tests/cases/formula_parser_test_002.inp: OK
tests/cases/formula_parser_test_003.inp: OK
tests/cases/formula_parser_test_001.inp: OK
tests/cases/formula_parser_test_004.inp: OK
make[2]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/Formulae/Parser/AdHoc'
cp /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/Formulae/Parser/AdHoc//lib/COD/Formulae/Parser/AdHoc.pm /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/Formulae/Parser/AdHoc.pm
make -C /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/Formulae/Parser/IUCr/
make[2]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/Formulae/Parser/IUCr'
yapp -v -m COD::Formulae::Parser::IUCr -o lib/COD/Formulae/Parser/IUCr.pm grammar.yp
tests/cases/formula_parser_test_002.inp: OK
tests/cases/formula_parser_test_003.inp: OK
tests/cases/formula_parser_test_001.inp: OK
tests/cases/formula_parser_test_004.inp: OK
make[2]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/Formulae/Parser/IUCr'
cp /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/Formulae/Parser/IUCr//lib/COD/Formulae/Parser/IUCr.pm /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/Formulae/Parser/IUCr.pm
make -C /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/CIF/Parser/Yapp/
make[2]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/CIF/Parser/Yapp'
yapp -v -m COD::CIF::Parser::Yapp -o lib/COD/CIF/Parser/Yapp.pm grammar.yp
tests/cases/cif_parser_test_099.inp: OK
tests/cases/cif_parser_test_116.inp: OK
tests/cases/cif_parser_test_047.inp: OK
tests/cases/cif_parser_test_017.inp: OK
tests/cases/cif_parser_test_056.inp: OK
tests/cases/cif_parser_test_108.inp: OK
tests/cases/cif_parser_test_020.inp: OK
tests/cases/cif_parser_test_101.inp: OK
tests/cases/cif_parser_test_009.inp: OK
tests/cases/cif_parser_test_005.inp: OK
tests/cases/cif_parser_test_109.inp: OK
tests/cases/cif_parser_test_045.inp: OK
tests/cases/cif_parser_test_013.inp: OK
tests/cases/cif_parser_test_031.inp: OK
tests/cases/cif_parser_test_092.inp: OK
tests/cases/cif_parser_test_115.inp: OK
tests/cases/cif_parser_test_035.inp: OK
tests/cases/cif_parser_test_087.inp: OK
tests/cases/cif_parser_test_046.inp: OK
tests/cases/cif_parser_test_018.inp: OK
tests/cases/cif_parser_test_072.inp: OK
tests/cases/cif_parser_test_062.inp: OK
tests/cases/cif_parser_test_052.inp: OK
tests/cases/cif_parser_test_110.inp: OK
tests/cases/cif_parser_test_114.inp: OK
tests/cases/cif_parser_test_042.inp: OK
tests/cases/cif_parser_test_107.inp: OK
tests/cases/cif_parser_test_054.inp: OK
tests/cases/cif_parser_test_100.inp: OK
tests/cases/cif_parser_test_093.inp: OK
tests/cases/cif_parser_test_011.inp: OK
tests/cases/cif_parser_test_118.inp: OK
tests/cases/cif_parser_test_065.inp: OK
tests/cases/cif_parser_test_016.inp: OK
tests/cases/cif_parser_test_025.inp: OK
tests/cases/cif_parser_test_073.inp: OK
tests/cases/cif_parser_test_012.inp: OK
tests/cases/cif_parser_test_030.inp: OK
tests/cases/cif_parser_test_063.inp: OK
tests/cases/cif_parser_test_067.inp: OK
tests/cases/cif_parser_test_002.inp: OK
tests/cases/cif_parser_test_006.inp: OK
tests/cases/cif_parser_test_036.inp: OK
tests/cases/cif_parser_test_053.inp: OK
tests/cases/cif_parser_test_028.inp: OK
tests/cases/cif_parser_test_043.inp: OK
tests/cases/cif_parser_test_086.inp: OK
tests/cases/cif_parser_test_097.inp: OK
tests/cases/cif_parser_test_079.inp: OK
tests/cases/cif_parser_test_069.inp: OK
tests/cases/cif_parser_test_077.inp: OK
tests/cases/cif_parser_test_059.inp: OK
tests/cases/cif_parser_test_049.inp: OK
tests/cases/cif_parser_test_039.inp: OK
tests/cases/cif_parser_test_010.inp: OK
tests/cases/cif_parser_test_106.inp: OK
tests/cases/cif_parser_test_004.inp: OK
tests/cases/cif_parser_test_003.inp: OK
tests/cases/cif_parser_test_022.inp: OK
tests/cases/cif_parser_test_098.inp: OK
tests/cases/cif_parser_test_112.inp: OK
tests/cases/cif_parser_test_015.inp: OK
tests/cases/cif_parser_test_024.inp: OK
tests/cases/cif_parser_test_096.inp: OK
tests/cases/cif_parser_test_091.inp: OK
tests/cases/cif_parser_test_074.inp: OK
tests/cases/cif_parser_test_044.inp: OK
tests/cases/cif_parser_test_071.inp: OK
tests/cases/cif_parser_test_089.inp: OK
tests/cases/cif_parser_test_061.inp: OK
tests/cases/cif_parser_test_057.inp: OK
tests/cases/cif_parser_test_051.inp: OK
tests/cases/cif_parser_test_048.inp: OK
tests/cases/cif_parser_test_041.inp: OK
tests/cases/cif_parser_test_064.inp: OK
tests/cases/cif_parser_test_083.inp: OK
tests/cases/cif_parser_test_037.inp: OK
tests/cases/cif_parser_test_082.inp: OK
tests/cases/cif_parser_test_088.inp: OK
tests/cases/cif_parser_test_102.inp: OK
tests/cases/cif_parser_test_105.inp: OK
tests/cases/cif_parser_test_094.inp: OK
tests/cases/cif_parser_test_023.inp: OK
tests/cases/cif_parser_test_032.inp: OK
tests/cases/cif_parser_test_068.inp: OK
tests/cases/cif_parser_test_113.inp: OK
tests/cases/cif_parser_test_058.inp: OK
tests/cases/cif_parser_test_019.inp: OK
tests/cases/cif_parser_test_117.inp: OK
tests/cases/cif_parser_test_026.inp: OK
tests/cases/cif_parser_test_081.inp: OK
tests/cases/cif_parser_test_055.inp: OK
tests/cases/cif_parser_test_090.inp: OK
tests/cases/cif_parser_test_080.inp: OK
tests/cases/cif_parser_test_070.inp: OK
tests/cases/cif_parser_test_060.inp: OK
tests/cases/cif_parser_test_050.inp: OK
tests/cases/cif_parser_test_040.inp: OK
tests/cases/cif_parser_test_008.inp: OK
tests/cases/cif_parser_test_027.inp: OK
tests/cases/cif_parser_test_014.inp: OK
tests/cases/cif_parser_test_034.inp: OK
tests/cases/cif_parser_test_066.inp: OK
tests/cases/cif_parser_test_007.inp: OK
tests/cases/cif_parser_test_078.inp: OK
tests/cases/cif_parser_test_021.inp: OK
tests/cases/cif_parser_test_111.inp: OK
tests/cases/cif_parser_test_038.inp: OK
tests/cases/cif_parser_test_095.inp: OK
tests/cases/cif_parser_test_084.inp: OK
tests/cases/cif_parser_test_076.inp: OK
tests/cases/cif_parser_test_085.inp: OK
tests/cases/cif_parser_test_033.inp: OK
tests/cases/cif_parser_test_029.inp: OK
tests/cases/cif_parser_test_103.inp: OK
tests/cases/cif_parser_test_104.inp: OK
tests/cases/cif_parser_test_001.inp: OK
tests/cases/cif_parser_test_075.inp: OK
missing_closing_sq_string:     OK
multiline_text_field_001:      OK
loop_misparsing:               OK
text_field_001:                OK
empty_02:                      OK
global_errors:                 OK
unquoted_string_with_brackets: OK
missing_closing_dq_string:     OK
multiline_text_field_002:      OK
unquoted_string_wo_brackets:   OK
simple:                        OK
err_no_data_03:                OK
error_messages:                OK
loop_001:                      OK
save_block:                    OK
local_tags:                    OK
err_no_data_01:                OK
standard_uncertainty_handling: OK
multiline_text_field_003:      OK
float_mis-increase_lexer:      OK
unquoted_string:               OK
file_not_defined:              OK
empty_01:                      OK
err_no_data_02:                OK
multiline_text_field_004:      OK
make[2]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/CIF/Parser/Yapp'
cp /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/CIF/Parser/Yapp//lib/COD/CIF/Parser/Yapp.pm /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/CIF/Parser/Yapp.pm
make -C  /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/CIF/Parser/Bison/
make[2]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/CIF/Parser/Bison'
swig -perl5 -Wall -outdir lib/COD/CIF/Parser/ source.i
cc -Wall -Wno-unused-value -D_REENTRANT -D_GNU_SOURCE -DDEBIAN -fwrapv -fno-strict-aliasing -pipe -I/usr/local/include -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -O2 -g -fPIC -I/usr/lib/arm-linux-gnueabihf/perl/5.26/CORE -I. -I../../../../../../components/codcif -I../../../../../../externals/cexceptions -c source.c source_wrap.c
make -C ../../../../../../components/codcif/ \
	lib/libcodcif.a
make[3]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif'
Makefile:222: .cif_options.d: No such file or directory
Makefile:222: .ciftable.d: No such file or directory
Makefile:222: .common.d: No such file or directory
Makefile:222: .cif2_lexer.d: No such file or directory
Makefile:222: .cifmessage.d: No such file or directory
Makefile:222: .cif_grammar_flex.d: No such file or directory
Makefile:222: .cif_lexer.d: No such file or directory
Makefile:222: .cif.d: No such file or directory
Makefile:222: .datablock.d: No such file or directory
Makefile:222: .cif_compiler.d: No such file or directory
Makefile:222: .ciflist.d: No such file or directory
Makefile:222: .cifvalue.d: No such file or directory
Makefile:222: programs/.cifparse.d: No such file or directory
Makefile:222: programs/.cifvalues.d: No such file or directory
Makefile:222: programs/.cif_list_tags.d: No such file or directory
gcc -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move  -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6268\""  -M -MG \
programs/cif_list_tags.c | sed -e 's,^cif_list_tags.o:,./obj/programs/cif_list_tags.o:,' > programs/.cif_list_tags.d
gcc -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move  -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6268\""  -M -MG \
programs/cifvalues.c | sed -e 's,^cifvalues.o:,./obj/programs/cifvalues.o:,' > programs/.cifvalues.d
gcc -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move  -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6268\""  -M -MG \
programs/cifparse.c | sed -e 's,^cifparse.o:,./obj/programs/cifparse.o:,' > programs/.cifparse.d
gcc -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move  -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6268\""  -M -MG \
cifvalue.c | sed -e 's,^cifvalue.o:,./obj/cifvalue.o:,' > .cifvalue.d
gcc -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move  -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6268\""  -M -MG \
ciflist.c | sed -e 's,^ciflist.o:,./obj/ciflist.o:,' > .ciflist.d
gcc -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move  -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6268\""  -M -MG \
cif_compiler.c | sed -e 's,^cif_compiler.o:,./obj/cif_compiler.o:,' > .cif_compiler.d
gcc -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move  -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6268\""  -M -MG \
datablock.c | sed -e 's,^datablock.o:,./obj/datablock.o:,' > .datablock.d
gcc -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move  -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6268\""  -M -MG \
cif.c | sed -e 's,^cif.o:,./obj/cif.o:,' > .cif.d
gcc -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move  -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6268\""  -M -MG \
cif_lexer.c | sed -e 's,^cif_lexer.o:,./obj/cif_lexer.o:,' > .cif_lexer.d
gcc -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move  -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6268\""  -M -MG \
cif_grammar_flex.c | sed -e 's,^cif_grammar_flex.o:,./obj/cif_grammar_flex.o:,' > .cif_grammar_flex.d
gcc -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move  -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6268\""  -M -MG \
cifmessage.c | sed -e 's,^cifmessage.o:,./obj/cifmessage.o:,' > .cifmessage.d
gcc -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move  -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6268\""  -M -MG \
cif2_lexer.c | sed -e 's,^cif2_lexer.o:,./obj/cif2_lexer.o:,' > .cif2_lexer.d
gcc -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move  -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6268\""  -M -MG \
common.c | sed -e 's,^common.o:,./obj/common.o:,' > .common.d
gcc -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move  -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6268\""  -M -MG \
ciftable.c | sed -e 's,^ciftable.o:,./obj/ciftable.o:,' > .ciftable.d
gcc -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move  -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6268\""  -M -MG \
cif_options.c | sed -e 's,^cif_options.o:,./obj/cif_options.o:,' > .cif_options.d
gcc -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move  -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6268\""  -c cif_options.c -o obj/cif_options.o
gcc -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move  -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6268\""  -c ciftable.c -o obj/ciftable.o
gcc -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move  -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6268\""  -c common.c -o obj/common.o
bison -y -v -d -p cif2 cif2_grammar.y
test -f y.tab.c  && mv y.tab.c cif2_grammar.tab.c   ; true
test -f y.tab.h  && mv y.tab.h cif2_grammar.tab.h   ; true
test -f y.output && mv y.output cif2_grammar.output ; true
gcc -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move  -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6268\""  -c cif2_lexer.c -o obj/cif2_lexer.o
cif2_lexer.c: In function 'pushchar':
cif2_lexer.c:596:21: warning: format '%lu' expects argument of type 'long unsigned int', but argument 2 has type 'size_t {aka unsigned int}' [-Wformat=]
             printf( ">>> reallocating lex token buffer to %lu\n", *length );
                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~  ~~~~~~~
gcc -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move  -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6268\""  -c cifmessage.c -o obj/cifmessage.o
gcc -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move  -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6268\""  -c cif_grammar_flex.c -o obj/cif_grammar_flex.o
bison -y -v -d -p cif cif_grammar.y
test -f y.tab.c  && mv y.tab.c cif_grammar.tab.c   ; true
test -f y.tab.h  && mv y.tab.h cif_grammar.tab.h   ; true
test -f y.output && mv y.output cif_grammar.output ; true
gcc -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move  -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6268\""  -c cif_lexer.c -o obj/cif_lexer.o
cif_lexer.c: In function 'pushchar':
cif_lexer.c:504:21: warning: format '%lu' expects argument of type 'long unsigned int', but argument 2 has type 'size_t {aka unsigned int}' [-Wformat=]
             printf( ">>> reallocating lex token buffer to %lu\n", *length );
                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~  ~~~~~~~
gcc -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move  -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6268\""  -c cif.c -o obj/cif.o
gcc -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move  -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6268\""  -c datablock.c -o obj/datablock.o
gcc -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move  -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6268\""  -c cif_compiler.c -o obj/cif_compiler.o
gcc -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move  -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6268\""  -c ciflist.c -o obj/ciflist.o
gcc -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move  -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6268\""  -c cifvalue.c -o obj/cifvalue.o
gcc -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move  -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6268\""  -Wdate-time -D_FORTIFY_SOURCE=2  -c -o cif2_grammar.tab.o cif2_grammar.tab.c
gcc -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move  -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6268\""  -Wdate-time -D_FORTIFY_SOURCE=2  -c -o cif_grammar.tab.o cif_grammar.tab.c
ar cr lib/libcodcif.a obj/cif_options.o obj/ciftable.o obj/common.o obj/cif2_lexer.o obj/cifmessage.o obj/cif_grammar_flex.o obj/cif_lexer.o obj/cif.o obj/datablock.o obj/cif_compiler.o obj/ciflist.o obj/cifvalue.o cif2_grammar.tab.o cif_grammar.tab.o
make[3]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif'
make -C ../../../../../../externals/cexceptions/ \
	lib/libcexceptions.a
make[3]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions'
Makefile:112: .cxprintf.d: No such file or directory
Makefile:112: .stringx.d: No such file or directory
Makefile:112: .allocx.d: No such file or directory
Makefile:112: .stdiox.d: No such file or directory
Makefile:112: .cexceptions.d: No such file or directory
Makefile:112: tests/programs/.texceptions.d: No such file or directory
Makefile:112: tests/programs/.fopenx.d: No such file or directory
Makefile:112: tests/programs/.tfinaly.d: No such file or directory
Makefile:112: tests/programs/.tsubsystems.d: No such file or directory
Makefile:112: tests/programs/.tstrdupx.d: No such file or directory
Makefile:112: tests/programs/.tcreallocx.d: No such file or directory
Makefile:112: tests/.subsystem_a.d: No such file or directory
Makefile:112: tests/.subsystem_b.d: No such file or directory
cc -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG  tests/subsystem_b.c > tests/.subsystem_b.d
cc -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG  tests/subsystem_a.c > tests/.subsystem_a.d
cc -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG  tests/programs/tcreallocx.c > tests/programs/.tcreallocx.d
cc -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG  tests/programs/tstrdupx.c > tests/programs/.tstrdupx.d
cc -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG  tests/programs/tsubsystems.c > tests/programs/.tsubsystems.d
cc -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG  tests/programs/tfinaly.c > tests/programs/.tfinaly.d
cc -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG  tests/programs/fopenx.c > tests/programs/.fopenx.d
cc -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG  tests/programs/texceptions.c > tests/programs/.texceptions.d
cc -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG  cexceptions.c > .cexceptions.d
cc -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG  stdiox.c > .stdiox.d
cc -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG  allocx.c > .allocx.d
cc -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG  stringx.c > .stringx.d
cc -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG  cxprintf.c > .cxprintf.d
cc -g -Wall -I. -I./tests -I../cexceptions -fPIC -c cxprintf.c -o obj/cxprintf.o
cc -g -Wall -I. -I./tests -I../cexceptions -fPIC -c stringx.c -o obj/stringx.o
cc -g -Wall -I. -I./tests -I../cexceptions -fPIC -c allocx.c -o obj/allocx.o
cc -g -Wall -I. -I./tests -I../cexceptions -fPIC -c stdiox.c -o obj/stdiox.o
cc -g -Wall -I. -I./tests -I../cexceptions -fPIC -c cexceptions.c -o obj/cexceptions.o
ar cr lib/libcexceptions.a obj/cxprintf.o obj/stringx.o obj/allocx.o obj/stdiox.o obj/cexceptions.o
make[3]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions'
cc -shared -L/usr/local/lib -fstack-protector-strong -Wl,-z,relro -Wl,-z,now source.o source_wrap.o ../../../../../../components/codcif/lib/libcodcif.a ../../../../../../externals/cexceptions/lib/libcexceptions.a -o lib/auto/COD/CIF/Parser/Bison/Bison.so 
tests/cases/cif_parser_test_099.inp: OK
tests/cases/cif_parser_test_116.inp: OK
tests/cases/cif_parser_test_047.inp: OK
tests/cases/cif_parser_test_017.inp: OK
tests/cases/cif_parser_test_056.inp: OK
tests/cases/cif_parser_test_108.inp: OK
tests/cases/cif_parser_test_020.inp: OK
tests/cases/cif_parser_test_101.inp: OK
tests/cases/cif_parser_test_009.inp: OK
tests/cases/cif_parser_test_005.inp: OK
tests/cases/cif_parser_test_109.inp: OK
tests/cases/cif_parser_test_045.inp: OK
tests/cases/cif_parser_test_013.inp: OK
tests/cases/cif_parser_test_031.inp: OK
tests/cases/cif_parser_test_092.inp: OK
tests/cases/cif_parser_test_115.inp: OK
tests/cases/cif_parser_test_035.inp: OK
tests/cases/cif_parser_test_087.inp: OK
tests/cases/cif_parser_test_046.inp: OK
tests/cases/cif_parser_test_018.inp: OK
tests/cases/cif_parser_test_072.inp: OK
tests/cases/cif_parser_test_062.inp: OK
tests/cases/cif_parser_test_052.inp: OK
tests/cases/cif_parser_test_110.inp: OK
tests/cases/cif_parser_test_114.inp: OK
tests/cases/cif_parser_test_042.inp: OK
tests/cases/cif_parser_test_107.inp: OK
tests/cases/cif_parser_test_054.inp: OK
tests/cases/cif_parser_test_100.inp: OK
tests/cases/cif_parser_test_093.inp: OK
tests/cases/cif_parser_test_011.inp: OK
tests/cases/cif_parser_test_118.inp: OK
tests/cases/cif_parser_test_065.inp: OK
tests/cases/cif_parser_test_016.inp: OK
tests/cases/cif_parser_test_025.inp: OK
tests/cases/cif_parser_test_073.inp: OK
tests/cases/cif_parser_test_012.inp: OK
tests/cases/cif_parser_test_030.inp: OK
tests/cases/cif_parser_test_063.inp: OK
tests/cases/cif_parser_test_067.inp: OK
tests/cases/cif_parser_test_002.inp: OK
tests/cases/cif_parser_test_006.inp: OK
tests/cases/cif_parser_test_036.inp: OK
tests/cases/cif_parser_test_053.inp: OK
tests/cases/cif_parser_test_028.inp: OK
tests/cases/cif_parser_test_043.inp: OK
tests/cases/cif_parser_test_086.inp: OK
tests/cases/cif_parser_test_097.inp: OK
tests/cases/cif_parser_test_079.inp: OK
tests/cases/cif_parser_test_069.inp: OK
tests/cases/cif_parser_test_077.inp: OK
tests/cases/cif_parser_test_059.inp: OK
tests/cases/cif_parser_test_049.inp: OK
tests/cases/cif_parser_test_039.inp: OK
tests/cases/cif_parser_test_010.inp: OK
tests/cases/cif_parser_test_106.inp: OK
tests/cases/cif_parser_test_004.inp: OK
tests/cases/cif_parser_test_003.inp: OK
tests/cases/cif_parser_test_022.inp: OK
tests/cases/cif_parser_test_098.inp: OK
tests/cases/cif_parser_test_112.inp: OK
tests/cases/cif_parser_test_015.inp: OK
tests/cases/cif_parser_test_024.inp: OK
tests/cases/cif_parser_test_096.inp: OK
tests/cases/cif_parser_test_091.inp: OK
tests/cases/cif_parser_test_074.inp: OK
tests/cases/cif_parser_test_044.inp: OK
tests/cases/cif_parser_test_071.inp: OK
tests/cases/cif_parser_test_089.inp: OK
tests/cases/cif_parser_test_061.inp: OK
tests/cases/cif_parser_test_057.inp: OK
tests/cases/cif_parser_test_051.inp: OK
tests/cases/cif_parser_test_048.inp: OK
tests/cases/cif_parser_test_041.inp: OK
tests/cases/cif_parser_test_064.inp: OK
tests/cases/cif_parser_test_083.inp: OK
tests/cases/cif_parser_test_037.inp: OK
tests/cases/cif_parser_test_082.inp: OK
tests/cases/cif_parser_test_088.inp: OK
tests/cases/cif_parser_test_102.inp: OK
tests/cases/cif_parser_test_105.inp: OK
tests/cases/cif_parser_test_094.inp: OK
tests/cases/cif_parser_test_023.inp: OK
tests/cases/cif_parser_test_032.inp: OK
tests/cases/cif_parser_test_068.inp: OK
tests/cases/cif_parser_test_113.inp: OK
tests/cases/cif_parser_test_058.inp: OK
tests/cases/cif_parser_test_019.inp: OK
tests/cases/cif_parser_test_117.inp: OK
tests/cases/cif_parser_test_026.inp: OK
tests/cases/cif_parser_test_081.inp: OK
tests/cases/cif_parser_test_055.inp: OK
tests/cases/cif_parser_test_090.inp: OK
tests/cases/cif_parser_test_080.inp: OK
tests/cases/cif_parser_test_070.inp: OK
tests/cases/cif_parser_test_060.inp: OK
tests/cases/cif_parser_test_050.inp: OK
tests/cases/cif_parser_test_040.inp: OK
tests/cases/cif_parser_test_008.inp: OK
tests/cases/cif_parser_test_027.inp: OK
tests/cases/cif_parser_test_014.inp: OK
tests/cases/cif_parser_test_034.inp: OK
tests/cases/cif_parser_test_066.inp: OK
tests/cases/cif_parser_test_007.inp: OK
tests/cases/cif_parser_test_078.inp: OK
tests/cases/cif_parser_test_021.inp: OK
tests/cases/cif_parser_test_111.inp: OK
tests/cases/cif_parser_test_038.inp: OK
tests/cases/cif_parser_test_095.inp: OK
tests/cases/cif_parser_test_084.inp: OK
tests/cases/cif_parser_test_076.inp: OK
tests/cases/cif_parser_test_085.inp: OK
tests/cases/cif_parser_test_033.inp: OK
tests/cases/cif_parser_test_029.inp: OK
tests/cases/cif_parser_test_103.inp: OK
tests/cases/cif_parser_test_104.inp: OK
tests/cases/cif_parser_test_001.inp: OK
tests/cases/cif_parser_test_075.inp: OK
unicode_001:                   OK
unicode_005:                   OK
multiline_text_field_001:      OK
unicode_002:                   OK
multiline_text_field_002:      OK
precisions_004:                OK
precisions_001:                OK
unicode_004:                   OK
multiline_text_field_003:      OK
precisions_003:                OK
unicode_003:                   OK
precisions_002:                OK
multiline_text_field_004:      OK
make[2]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/CIF/Parser/Bison'
cp /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/CIF/Parser/Bison/lib/COD/CIF/Parser/Bison.pm /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/CIF/Parser/Bison.pm
cp /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/CIF/Parser/Bison//lib/auto/COD/CIF/Parser/Bison/Bison.so /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/auto/COD/CIF/Parser/Bison/Bison.so
make -C  /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/SPGLib/
make[2]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/SPGLib'
swig -perl5 -Wall -outdir lib/COD/ source.i
cc -Wall -Wno-unused-value \
	-I. -c \
	`perl -MConfig -e 'print join(" ", @Config{qw(ccflags optimize cccdlflags)}, "-I$Config{archlib}/CORE")'` \
	source.c source_wrap.c
cc -Wall `perl -MConfig -e 'print $Config{lddlflags}'` source.o source_wrap.o -o lib/auto/COD/SPGLib/SPGLib.so -lsymspg
make[2]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/SPGLib'
cp /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/SPGLib/lib/COD/SPGLib.pm /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/SPGLib.pm
cp /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/SPGLib//lib/auto/COD/SPGLib/SPGLib.so /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/auto/COD/SPGLib/SPGLib.so
make -C /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/pycodcif all
make[2]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/pycodcif'
python setup.py build --build-lib build/2
running build
running build_py
creating build
creating build/2
creating build/2/pycodcif
copying ./__init__.py -> build/2/pycodcif
running build_ext
building 'pycodcif._pycodcif' extension
swigging pycodcif.i to pycodcif_wrap.c
swig -python -o pycodcif_wrap.c pycodcif.i
creating build/temp.linux-armv7l-2.7
creating build/temp.linux-armv7l-2.7/build
creating build/temp.linux-armv7l-2.7/<<BUILDDIR>>
creating build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg
creating build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src
creating build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals
creating build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions
creating build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components
creating build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/cxprintf.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/cxprintf.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/stringx.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/stringx.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/allocx.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/allocx.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/stdiox.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/stdiox.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/cexceptions.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/cexceptions.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_options.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_options.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/common.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/common.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/ciftable.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/ciftable.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif2_lexer.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif2_lexer.o
/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif2_lexer.c: In function 'pushchar':
/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif2_lexer.c:596:21: warning: format '%lu' expects argument of type 'long unsigned int', but argument 2 has type 'size_t {aka unsigned int}' [-Wformat=]
             printf( ">>> reallocating lex token buffer to %lu\n", *length );
                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~  ~~~~~~~
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cifvalue.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cifvalue.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cifmessage.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cifmessage.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_grammar_flex.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_grammar_flex.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_lexer.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_lexer.o
/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_lexer.c: In function 'pushchar':
/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_lexer.c:504:21: warning: format '%lu' expects argument of type 'long unsigned int', but argument 2 has type 'size_t {aka unsigned int}' [-Wformat=]
             printf( ">>> reallocating lex token buffer to %lu\n", *length );
                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~  ~~~~~~~
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/datablock.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/datablock.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_compiler.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_compiler.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/ciflist.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/ciflist.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_grammar.tab.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_grammar.tab.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif2_grammar.tab.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif2_grammar.tab.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c pycodcif_wrap.c -o build/temp.linux-armv7l-2.7/pycodcif_wrap.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c pycodcif.c -o build/temp.linux-armv7l-2.7/pycodcif.o
arm-linux-gnueabihf-gcc -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -fno-strict-aliasing -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -Wdate-time -D_FORTIFY_SOURCE=2 -g -fdebug-prefix-map=/build/python2.7-eavNeJ/python2.7-2.7.15=. -fstack-protector-strong -Wformat -Werror=format-security -Wl,-z,relro -Wl,-z,now -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/cxprintf.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/stringx.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/allocx.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/stdiox.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/cexceptions.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_options.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/common.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/ciftable.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif2_lexer.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cifvalue.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cifmessage.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_grammar_flex.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_lexer.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/datablock.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_compiler.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/ciflist.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_grammar.tab.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif2_grammar.tab.o build/temp.linux-armv7l-2.7/pycodcif_wrap.o build/temp.linux-armv7l-2.7/pycodcif.o -o build/2/pycodcif/_pycodcif.so
python setup.py build --build-lib build/2
running build
running build_py
copying ./pycodcif.py -> build/2/pycodcif
running build_ext
tests/cases/cif_parser_test_099.inp: OK
tests/cases/cif_parser_test_116.inp: OK
tests/cases/cif_parser_test_047.inp: OK
tests/cases/cif_parser_test_017.inp: OK
tests/cases/cif_parser_test_056.inp: OK
tests/cases/cif_parser_test_108.inp: OK
tests/cases/cif_parser_test_020.inp: OK
tests/cases/cif_parser_test_101.inp: OK
tests/cases/cif_parser_test_009.inp: OK
tests/cases/cif_parser_test_005.inp: OK
tests/cases/cif_parser_test_109.inp: OK
tests/cases/cif_parser_test_045.inp: OK
tests/cases/cif_parser_test_013.inp: OK
tests/cases/cif_parser_test_031.inp: OK
tests/cases/cif_parser_test_092.inp: OK
tests/cases/cif_parser_test_115.inp: OK
tests/cases/cif_parser_test_035.inp: OK
tests/cases/cif_parser_test_087.inp: OK
tests/cases/cif_parser_test_046.inp: OK
tests/cases/cif_parser_test_018.inp: OK
tests/cases/cif_parser_test_072.inp: OK
tests/cases/cif_parser_test_062.inp: OK
tests/cases/cif_parser_test_052.inp: OK
tests/cases/cif_parser_test_110.inp: OK
tests/cases/cif_parser_test_114.inp: OK
tests/cases/cif_parser_test_042.inp: OK
tests/cases/cif_parser_test_107.inp: OK
tests/cases/cif_parser_test_054.inp: OK
tests/cases/cif_parser_test_100.inp: OK
tests/cases/cif_parser_test_093.inp: OK
tests/cases/cif_parser_test_011.inp: OK
tests/cases/cif_parser_test_118.inp: OK
tests/cases/cif_parser_test_065.inp: OK
tests/cases/cif_parser_test_016.inp: OK
tests/cases/cif_parser_test_025.inp: OK
tests/cases/cif_parser_test_073.inp: OK
tests/cases/cif_parser_test_012.inp: OK
tests/cases/cif_parser_test_030.inp: OK
tests/cases/cif_parser_test_063.inp: OK
tests/cases/cif_parser_test_067.inp: OK
tests/cases/cif_parser_test_002.inp: OK
tests/cases/cif_parser_test_006.inp: OK
tests/cases/cif_parser_test_036.inp: OK
tests/cases/cif_parser_test_053.inp: OK
tests/cases/cif_parser_test_028.inp: OK
tests/cases/cif_parser_test_043.inp: OK
tests/cases/cif_parser_test_086.inp: OK
tests/cases/cif_parser_test_097.inp: OK
tests/cases/cif_parser_test_079.inp: OK
tests/cases/cif_parser_test_069.inp: OK
tests/cases/cif_parser_test_077.inp: OK
tests/cases/cif_parser_test_059.inp: OK
tests/cases/cif_parser_test_049.inp: OK
tests/cases/cif_parser_test_039.inp: OK
tests/cases/cif_parser_test_010.inp: OK
tests/cases/cif_parser_test_106.inp: OK
tests/cases/cif_parser_test_004.inp: OK
tests/cases/cif_parser_test_003.inp: OK
tests/cases/cif_parser_test_022.inp: OK
tests/cases/cif_parser_test_098.inp: OK
tests/cases/cif_parser_test_112.inp: OK
tests/cases/cif_parser_test_015.inp: OK
tests/cases/cif_parser_test_024.inp: OK
tests/cases/cif_parser_test_096.inp: OK
tests/cases/cif_parser_test_091.inp: OK
tests/cases/cif_parser_test_074.inp: OK
tests/cases/cif_parser_test_044.inp: OK
tests/cases/cif_parser_test_071.inp: OK
tests/cases/cif_parser_test_089.inp: OK
tests/cases/cif_parser_test_061.inp: OK
tests/cases/cif_parser_test_057.inp: OK
tests/cases/cif_parser_test_051.inp: OK
tests/cases/cif_parser_test_048.inp: OK
tests/cases/cif_parser_test_041.inp: OK
tests/cases/cif_parser_test_064.inp: OK
tests/cases/cif_parser_test_083.inp: OK
tests/cases/cif_parser_test_037.inp: OK
tests/cases/cif_parser_test_082.inp: OK
tests/cases/cif_parser_test_088.inp: OK
tests/cases/cif_parser_test_102.inp: OK
tests/cases/cif_parser_test_105.inp: OK
tests/cases/cif_parser_test_094.inp: OK
tests/cases/cif_parser_test_023.inp: OK
tests/cases/cif_parser_test_032.inp: OK
tests/cases/cif_parser_test_068.inp: OK
tests/cases/cif_parser_test_113.inp: OK
tests/cases/cif_parser_test_058.inp: OK
tests/cases/cif_parser_test_019.inp: OK
tests/cases/cif_parser_test_117.inp: OK
tests/cases/cif_parser_test_026.inp: OK
tests/cases/cif_parser_test_081.inp: OK
tests/cases/cif_parser_test_055.inp: OK
tests/cases/cif_parser_test_090.inp: OK
tests/cases/cif_parser_test_080.inp: OK
tests/cases/cif_parser_test_070.inp: OK
tests/cases/cif_parser_test_060.inp: OK
tests/cases/cif_parser_test_050.inp: OK
tests/cases/cif_parser_test_040.inp: OK
tests/cases/cif_parser_test_008.inp: OK
tests/cases/cif_parser_test_027.inp: OK
tests/cases/cif_parser_test_014.inp: OK
tests/cases/cif_parser_test_034.inp: OK
tests/cases/cif_parser_test_066.inp: OK
tests/cases/cif_parser_test_007.inp: OK
tests/cases/cif_parser_test_078.inp: OK
tests/cases/cif_parser_test_021.inp: OK
tests/cases/cif_parser_test_111.inp: OK
tests/cases/cif_parser_test_038.inp: OK
tests/cases/cif_parser_test_095.inp: OK
tests/cases/cif_parser_test_084.inp: OK
tests/cases/cif_parser_test_076.inp: OK
tests/cases/cif_parser_test_085.inp: OK
tests/cases/cif_parser_test_033.inp: OK
tests/cases/cif_parser_test_029.inp: OK
tests/cases/cif_parser_test_103.inp: OK
tests/cases/cif_parser_test_104.inp: OK
tests/cases/cif_parser_test_001.inp: OK
tests/cases/cif_parser_test_075.inp: OK
unicode_001:                   OK
build_cif_001:                 OK
tag_index_002:                 OK
build_cif_002:                 OK
build_cif_003:                 OK
tag_index_001:                 OK
make[2]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/pycodcif'
sed 's/@VERSION@/2.2/' src/lib/perl5/COD/ToolsVersion.pmin > src/lib/perl5/COD/ToolsVersion.pm
make -C /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/getoptions/ \
	lib/libgetoptions.a
make[2]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/getoptions'
Makefile:123: .getoptions.d: No such file or directory
Makefile:123: tests/programs/.topt.d: No such file or directory
Makefile:128: .diff.depend: No such file or directory
cc -g -Wall -I. -I../cexceptions -fPIC -M -MG  tests/programs/topt.c > tests/programs/.topt.d
cc -g -Wall -I. -I../cexceptions -fPIC -M -MG  getoptions.c > .getoptions.d
cc -g -Wall -I. -I../cexceptions -fPIC -c getoptions.c -o obj/getoptions.o
ar cr lib/libgetoptions.a obj/getoptions.o
make[2]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/getoptions'
make -C /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/getoptions/ tests
make[2]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/getoptions'
cc -g -Wall -I. -I../cexceptions -fPIC -L../cexceptions/lib tests/programs/topt.c lib/libgetoptions.a -o tests/bin/topt -lm -lcexceptions
topt_003:                      OK
topt_005:                      OK
topt_001:                      OK
topt_004:                      OK
topt_002:                      OK
make[2]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/getoptions'
make -C /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/
make[2]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif'
gcc -shared -Xlinker -soname=libcodcif.so.2 -o lib/libcodcif.so.2.2 obj/cif_options.o obj/ciftable.o obj/common.o obj/cif2_lexer.o obj/cifmessage.o obj/cif_grammar_flex.o obj/cif_lexer.o obj/cif.o obj/datablock.o obj/cif_compiler.o obj/ciflist.o obj/cifvalue.o cif2_grammar.tab.o cif_grammar.tab.o
sed 's/@VERSION@/2.2/' version.hin > version.h
gcc -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move  -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6268\""  -Wl,-z,relro -Wl,-z,now -o cifparse programs/cifparse.c cif2_grammar.tab.o cif_grammar.tab.o lib/libcodcif.a ../../externals/cexceptions/lib/libcexceptions.a ../../externals/getoptions/lib/libgetoptions.a version.h -lm
gcc -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move  -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6268\""  -Wl,-z,relro -Wl,-z,now -o cifvalues programs/cifvalues.c cif2_grammar.tab.o cif_grammar.tab.o lib/libcodcif.a ../../externals/cexceptions/lib/libcexceptions.a ../../externals/getoptions/lib/libgetoptions.a version.h -lm
gcc -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move  -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6268\""  -Wl,-z,relro -Wl,-z,now -o cif_list_tags programs/cif_list_tags.c cif2_grammar.tab.o cif_grammar.tab.o lib/libcodcif.a ../../externals/cexceptions/lib/libcexceptions.a ../../externals/getoptions/lib/libgetoptions.a version.h -lm
make[2]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif'
tests/cases/cif-to-utf8_001.inp: OK
tests/cases/cif-to-utf8_002.inp: OK
tests/cases/cif-to-utf8_003.inp: OK
tests/cases/cif-to-utf8_004.inp: OK
tests/cases/cif-to-utf8_005.inp: OK
tests/cases/cif2cod_001.inp:   FAILED:
1,8c1,2
< scripts/cif2cod: tests/cases/cif2cod_001.inp data_global: WARNING, data block does not contain fractional coordinates.
< scripts/cif2cod: tests/cases/cif2cod_001.inp data_C5H17AlN2O8P2: WARNING, data item '_publ_section_title' is absent.
< scripts/cif2cod: tests/cases/cif2cod_001.inp data_C5H17AlN2O8P2: WARNING, data item '_journal_name_full' is absent.
< scripts/cif2cod: tests/cases/cif2cod_001.inp data_C5H17AlN2O8P2: WARNING, data item '_journal_year' is absent.
< scripts/cif2cod: tests/cases/cif2cod_001.inp data_C5H17AlN2O8P2: WARNING, data item '_journal_volume' is absent.
< scripts/cif2cod: tests/cases/cif2cod_001.inp data_C5H17AlN2O8P2: WARNING, data item '_journal_page_first' is absent.
< scripts/cif2cod: tests/cases/cif2cod_001.inp data_C5H17AlN2O8P2: WARNING, no Hall space group symbol found.
< "C5H17AlN2O8P2";"7.8783";"0.0002";"10.46890";"0.0001";"16.0680";"0.0004";"90.00";NULL;"95.1470";"0.001";"90.00";NULL;"1319.90";"0.05";"296";"2";"296";"2";NULL;NULL;NULL;NULL;NULL;NULL;"6";"P2~1~/n";NULL;NULL;NULL;"- C5 H17 Al N2 O8 P2 -";"- C5 H17 Al N2 O8 P2 -";NULL;"";"";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"has coordinates";"\n\n\n\n()\n"
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_002.inp:   FAILED:
1,8c1,2
< scripts/cif2cod: tests/cases/cif2cod_002.inp data_global: WARNING, data block does not contain fractional coordinates.
< scripts/cif2cod: tests/cases/cif2cod_002.inp data_C5H17AlN2O8P2: WARNING, data item '_publ_section_title' is absent.
< scripts/cif2cod: tests/cases/cif2cod_002.inp data_C5H17AlN2O8P2: WARNING, data item '_journal_name_full' is absent.
< scripts/cif2cod: tests/cases/cif2cod_002.inp data_C5H17AlN2O8P2: WARNING, data item '_journal_year' is absent.
< scripts/cif2cod: tests/cases/cif2cod_002.inp data_C5H17AlN2O8P2: WARNING, data item '_journal_volume' is absent.
< scripts/cif2cod: tests/cases/cif2cod_002.inp data_C5H17AlN2O8P2: WARNING, data item '_journal_page_first' is absent.
< scripts/cif2cod: tests/cases/cif2cod_002.inp data_C5H17AlN2O8P2: WARNING, no Hall space group symbol found.
< "1000000";"7.8783";"0.0002";"10.46890";"0.0001";"16.0680";"0.0004";"90.00";NULL;"95.1470";"0.001";"90.00";NULL;"1319.90";"0.05";"296";"2";"296";"2";NULL;NULL;NULL;NULL;NULL;NULL;"6";"P2~1~/n";NULL;NULL;NULL;"- C5 H17 Al N2 O8 P2 -";"- C5 H17 Al N2 O8 P2 -";NULL;"";"";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"has coordinates";"\n\n\n\n()\n"
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_003.inp:   FAILED:
1,2c1,2
< scripts/cif2cod: tests/cases/cif2cod_003.inp data_1000451: WARNING, no Hall space group symbol found.
< "1000451";"16.49699";"0.001";"8.6939";"0.0005";"11.5174";"0.0006";"90";NULL;"90";NULL;"90";NULL;"1651.9";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"5";"P n n m";NULL;NULL;"Tetrabarium heptafluoropentaoxodimolybdate tris(hydrogendifluoride) hydrate";"- H5 Ba4 F13 Mo2 O6 -";"- Ba4 F13 H2.5 Mo2 O6 -";NULL;"Fourquet, J L; Duroy, H; Crosnier-Lopez, M P";"Synthesis and crystal structure of Ba4 Mo2 O5 F7 (H F2)3.H2 O";"Zeitschrift fuer Anorganische und Allgemeine Chemie";"1997";"623";NULL;"439";"443";NULL;NULL;NULL;"has coordinates";"Fourquet, J L; Duroy, H; Crosnier-Lopez, M P\nSynthesis and crystal structure of Ba4 Mo2 O5 F7 (H F2)3.H2 O\nZeitschrift fuer Anorganische und Allgemeine Chemie\n623\n(1997)\n439-443"
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_004.inp:   FAILED:
1c1,2
< "2001811";"8.8800";"0.001";"10.5940";"0.001";"16.387";"0.002";"71.200";"0.01";"89.850";"0.01";"77.740";"0.01";"1422.5";"0.3";"292";NULL;"292";NULL;NULL;NULL;NULL;NULL;NULL;NULL;"6";"P -1";"-P 1";NULL;"1-Benzhydryl-4-(2-benzoylethyl)piperazonium Tetrachlorocuprate(II) Monohydrate";"- C26 H32 Cl4 Cu N2 O2 -";"- C26 H30 Cl4 Cu N2 O Ow1.33 -";"MU1015";"Macíček, J.; Tcholakova, J.; Parvanova, M.";"Structure of 1-benzhydryl-4-(2-benzoylethyl)piperazinium tetrachlorocuprate(II) hydrate";"Acta Crystallographica Section C";"1993";"49";"4";"788";"790";NULL;NULL;NULL;"has coordinates";"Macíček, J.; Tcholakova, J.; Parvanova, M.\nStructure of 1-benzhydryl-4-(2-benzoylethyl)piperazinium tetrachlorocuprate(II) hydrate\nActa Crystallographica Section C\n49(4)\n(1993)\n788-790"
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_005.inp:   FAILED:
1c1,2
< "2103514";"7.944";NULL;"7.944";NULL;"5.012";NULL;"90.00";NULL;"90.00";NULL;"120.00";NULL;"273.9";NULL;"293";"2";"293";"2";NULL;NULL;"14.4E+6";NULL;NULL;NULL;"4";"P 3 2 1";"P 3 2\"";NULL;NULL;"- Ga5.54 La3 O14 Ta0.46 -";"- Ga5.5 La3 O14 Ta0.5 -";NULL;"Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.";"Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~";"Acta Crystallographica Section B";"2002";"58";"6";"939";"947";NULL;"2103513";NULL;"has coordinates";"Pavlovska, A.; Werner, S.; Maximov, B.; Mill, B.\nPressure-induced phase transitions of piezoelectric single crystals from the langasite family: La~3~Nb~0.5~Ga~5.5~O~14~ and La~3~Ta~0.5~Ga~5.5~O~14~\nActa Crystallographica Section B\n58(6)\n(2002)\n939-947"
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_006.inp:   FAILED:
1,5c1,2
< scripts/cif2cod: tests/cases/cif2cod_006.inp data_1010800: WARNING, no space group information found.
< scripts/cif2cod: tests/cases/cif2cod_006.inp data_1010800: WARNING, no Hall space group symbol found.
< scripts/cif2cod: tests/cases/cif2cod_006.inp data_1010800: WARNING, summary formula could not be calculated -- neither symmetry operator data item values, nor Hall space group name, nor Hermann-Mauguin space group name could be processed to acquire symmetry operators.
< scripts/cif2cod: tests/cases/cif2cod_006.inp data_1010800: WARNING, unit cell summary formula could not be calculated -- neither symmetry operator data item values, nor Hall space group name, nor Hermann-Mauguin space group name could be processed to acquire symmetry operators.
< "1010800";"17.08";NULL;"18.98";NULL;"6.64";NULL;"90";NULL;"90";NULL;"90";NULL;"2152.5";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"5";NULL;NULL;NULL;"Calcium tetracyanoplatinate(II) pentahydrate";"- H10 Ca N4 O5 Pt -";NULL;NULL;"Brasseur, H; de=Rassenfosse, A";"Etude cristallopraphique du platinocyanure de calcium hydrate.";"Bulletin de la Societe Royal des Sciences de Liege";"1935";"4";NULL;"24";"33";NULL;NULL;NULL;"";"Brasseur, H; de=Rassenfosse, A\nEtude cristallopraphique du platinocyanure de calcium hydrate.\nBulletin de la Societe Royal des Sciences de Liege\n4\n(1935)\n24-33"
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_007.inp:   FAILED:
1,4c1,2
< scripts/cif2cod: tests/cases/cif2cod_007.inp data_6000001: WARNING, no Hall space group symbol found.
< scripts/cif2cod: tests/cases/cif2cod_007.inp data_6000001: WARNING, summary formula could not be calculated -- neither '_atom_site_label' nor '_atom_site_type_symbol' data item present.
< scripts/cif2cod: tests/cases/cif2cod_007.inp data_6000001: WARNING, unit cell summary formula could not be calculated -- neither '_atom_site_label' nor '_atom_site_type_symbol' data item present.
< "6000001";"4.6868";NULL;"10.8618";NULL;"5.5872";NULL;"90.000";NULL;"95.993";NULL;"90.000";NULL;"282.87";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"3";"P 1 21/c 1";NULL;NULL;NULL;"- Ho2 O7 Si2 -";NULL;NULL;"Christensen, A. N.; Hazell, R. G.; Hewat, A. W.";"Synthesis, crystal growth and structure investigations of rare-earth disilicates and rare-earth oxyapatites";"Acta Chemica Scandinavica";"1997";"51";"1";"37";"43";NULL;NULL;NULL;"";"Christensen, A. N.; Hazell, R. G.; Hewat, A. W.\nSynthesis, crystal growth and structure investigations of rare-earth disilicates and rare-earth oxyapatites\nActa Chemica Scandinavica\n51(1)\n(1997)\n37-43"
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_008.inp:   FAILED:
1,6c1,2
< scripts/cif2cod: tests/cases/cif2cod_008.inp data_1004008: WARNING, data item '_journal_year' is absent.
< scripts/cif2cod: tests/cases/cif2cod_008.inp data_1004008: WARNING, data item '_journal_volume' is absent.
< scripts/cif2cod: tests/cases/cif2cod_008.inp data_1004008: WARNING, data item '_journal_page_first' is absent.
< scripts/cif2cod: tests/cases/cif2cod_008.inp data_1004008: WARNING, no Hall space group symbol found.
< file;a;siga;b;sigb;c;sigc;alpha;sigalpha;beta;sigbeta;gamma;siggamma;vol;sigvol;celltemp;sigcelltemp;diffrtemp;sigdiffrtemp;cellpressure;sigcellpressure;diffrpressure;sigdiffrpressure;thermalhist;pressurehist;compoundsource;nel;sg;sgHall;commonname;chemname;mineral;formula;calcformula;cellformula;Z;Zprime;acce_code;authors;title;journal;year;volume;issue;firstpage;lastpage;doi;method;radiation;wavelength;radType;radSymbol;Rall;Robs;Rref;wRall;wRobs;wRref;RFsqd;RI;gofall;gofobs;gofgt;duplicateof;optimal;status;flags;text;onhold
< "1004008";"6.221";"0.001";"10.7702";"0.0005";"6.935";"0.003";"90";NULL;"107.09";"0.02";"90";NULL;"444.14";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"4";"C 1 2 1";NULL;NULL;"Copper(I) Chromium Hexaselenodiphosphate(IV)";NULL;"- Cr Cu P2 Se6 -";"- Cr Cu P2 Se6 -";"- Cr2 Cu2 P4 Se12 -";"2";"0.5";NULL;"Bourdon, X.; Maisonneuve, V.; Cajipe, V.B.; Payen, C.; Fischer, J.E.";"Copper sublattice ordering in layered Cu M P2 Se6 (M = In, Cr)";"Journal of Alloys Compd. 283 (1999) 122 127";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"0.046";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"has coordinates";"Bourdon, X.; Maisonneuve, V.; Cajipe, V.B.; Payen, C.; Fischer, J.E.\nCopper sublattice ordering in layered Cu M P2 Se6 (M = In, Cr)\nJournal of Alloys Compd. 283 (1999) 122 127\n\n()\n";NULL
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_009.inp:   FAILED:
1,7c1,2
< scripts/cif2cod: tests/cases/cif2cod_009.inp data_1001012: WARNING, no space group information found.
< scripts/cif2cod: tests/cases/cif2cod_009.inp data_1001012: WARNING, no Hall space group symbol found.
< scripts/cif2cod: tests/cases/cif2cod_009.inp data_1001012: WARNING, at least one of the lattice parameters has an undefined value -- cell volume could not be calculated.
< scripts/cif2cod: tests/cases/cif2cod_009.inp data_1001012: WARNING, summary formula could not be calculated -- cell length data item '_cell_length_a' not present.
< scripts/cif2cod: tests/cases/cif2cod_009.inp data_1001012: WARNING, unit cell summary formula could not be calculated -- cell length data item '_cell_length_a' not present.
< file;a;siga;b;sigb;c;sigc;alpha;sigalpha;beta;sigbeta;gamma;siggamma;vol;sigvol;celltemp;sigcelltemp;diffrtemp;sigdiffrtemp;cellpressure;sigcellpressure;diffrpressure;sigdiffrpressure;thermalhist;pressurehist;compoundsource;nel;sg;sgHall;commonname;chemname;mineral;formula;calcformula;cellformula;Z;Zprime;acce_code;authors;title;journal;year;volume;issue;firstpage;lastpage;doi;method;radiation;wavelength;radType;radSymbol;Rall;Robs;Rref;wRall;wRobs;wRref;RFsqd;RI;gofall;gofobs;gofgt;duplicateof;optimal;status;flags;text;onhold
< "1001012";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"4";NULL;NULL;NULL;"CALCIUM NITRATE DIHYDRATE";NULL;"- H4 Ca N2 O8 -";NULL;NULL;NULL;NULL;NULL;"Leclaire, A; Monier, J C";"Transformation orientee de l'hydrate (H~2~ O)~2~ $-beta en hydrate (H~2~ O)~2~ $-alpha du nitrate de calcium. Interpretation structurale des formes cristallines des deux hydrates";"Acta Crystallographica A (24,1968-38,1982)";"1977";"33";NULL;"717";"722";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"";"Leclaire, A; Monier, J C\nTransformation orientee de l'hydrate (H~2~ O)~2~ $-beta en hydrate (H~2~ O)~2~ $-alpha du nitrate de calcium. Interpretation structurale des formes cristallines des deux hydrates\nActa Crystallographica A (24,1968-38,1982)\n33\n(1977)\n717-722";NULL
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_010.inp:   FAILED:
1,3c1,2
< scripts/cif2cod: tests/cases/cif2cod_010.inp data_7011014: WARNING, data item '_journal_volume' is absent.
< file;a;siga;b;sigb;c;sigc;alpha;sigalpha;beta;sigbeta;gamma;siggamma;vol;sigvol;celltemp;sigcelltemp;diffrtemp;sigdiffrtemp;cellpressure;sigcellpressure;diffrpressure;sigdiffrpressure;thermalhist;pressurehist;compoundsource;nel;sg;sgHall;commonname;chemname;mineral;formula;calcformula;cellformula;Z;Zprime;acce_code;authors;title;journal;year;volume;issue;firstpage;lastpage;doi;method;radiation;wavelength;radType;radSymbol;Rall;Robs;Rref;wRall;wRobs;wRref;RFsqd;RI;gofall;gofobs;gofgt;duplicateof;optimal;status;flags;text;onhold
< "7011014";"10.737";"0.003";"15.744";"0.003";"12.523";"0.003";"90.0";NULL;"111.967";"0.019";"90.0";NULL;"1963.2";"0.9";"293";NULL;"293";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"7";"P 1 21/n 1";"-P 2yn";NULL;"? #Insert the chemical name here.";NULL;"- C12 H30 Cl Fe N2 O Si2 -";"- C12 H30 Cl Fe N2 O Si2 -";"- C48 H120 Cl4 Fe4 N8 O4 Si8 -";"4";"1";NULL;"Garry Mund; Raymond J. Batchelor; Rajendra D. Sharma; Colin H. W. Jones; Daniel B. Leznoff";"{FeCl[tBuN(SiMe2)]2O}2: The first multinuclear iron(III) complex exhibiting spin-admixture";"J. Chem. Soc., Dalton Trans.";"2002";NULL;"2";"136";"137";NULL;NULL;NULL;"0.70930";"MolybdenumKα";NULL;NULL;"0.038";NULL;NULL;"0.030";NULL;NULL;NULL;NULL;"1.60";NULL;NULL;NULL;NULL;"has coordinates";"Garry Mund; Raymond J. Batchelor; Rajendra D. Sharma; Colin H. W. Jones; Daniel B. Leznoff\n{FeCl[tBuN(SiMe2)]2O}2: The first multinuclear iron(III) complex exhibiting spin-admixture\nJ. Chem. Soc., Dalton Trans.\n(issue 2)\n(2002)\n136-137";NULL
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_011.inp:   FAILED:
1,2c1,2
< file;a;siga;b;sigb;c;sigc;alpha;sigalpha;beta;sigbeta;gamma;siggamma;vol;sigvol;celltemp;sigcelltemp;diffrtemp;sigdiffrtemp;cellpressure;sigcellpressure;diffrpressure;sigdiffrpressure;thermalhist;pressurehist;compoundsource;nel;sg;sgHall;commonname;chemname;mineral;formula;calcformula;cellformula;Z;Zprime;acce_code;authors;title;journal;year;volume;issue;firstpage;lastpage;doi;method;radiation;wavelength;radType;radSymbol;Rall;Robs;Rref;wRall;wRobs;wRref;RFsqd;RI;gofall;gofobs;gofgt;duplicateof;optimal;status;flags;text;onhold
< "2009480";"16.768";"0.006";"8.958";"0.003";"17.243";"0.004";"90";NULL;"113.50";"0.02";"90";NULL;"2375.0";"1";"ambient temperature";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"4";"P 1 21/c 1";"-P 2ybc";NULL;NULL;NULL;"- C26 H31 N3 O4 -";"- C26 H31 N3 O4 -";"- C104 H124 N12 O16 -";"4";"1";NULL;"Kido, M.; Kondo, K.; Yamashita, H.; Ogawa, H.";"Structure of OPC-21268";"Acta Crystallographica Section C";"1994";"50";NULL;"302";"304";NULL;NULL;NULL;NULL;NULL;NULL;NULL;"0.043";NULL;NULL;"0.049";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"has coordinates";"Kido, M.; Kondo, K.; Yamashita, H.; Ogawa, H.\nStructure of OPC-21268\nActa Crystallographica Section C\n50\n(1994)\n302-304";NULL
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_012.inp:   FAILED:
1,3c1,2
< file;a;siga;b;sigb;c;sigc;alpha;sigalpha;beta;sigbeta;gamma;siggamma;vol;sigvol;celltemp;sigcelltemp;diffrtemp;sigdiffrtemp;cellpressure;sigcellpressure;diffrpressure;sigdiffrpressure;thermalhist;pressurehist;compoundsource;nel;sg;sgHall;commonname;chemname;mineral;formula;calcformula;cellformula;Z;Zprime;acce_code;authors;title;journal;year;volume;issue;firstpage;lastpage;doi;method;radiation;wavelength;radType;radSymbol;Rall;Robs;Rref;wRall;wRobs;wRref;RFsqd;RI;gofall;gofobs;gofgt;duplicateof;optimal;status;flags;text;onhold
< "2009480";"16.768";"0.006";"8.958";"0.003";"17.243";"0.004";"90";NULL;"113.50";"0.02";"90";NULL;"2375.0";"1";"ambient temperature";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"4";"P 1 21/c 1";"-P 2ybc";NULL;NULL;NULL;"- C26 H31 N3 O4 -";"- C26 H31 N3 O4 -";"- C104 H124 N12 O16 -";"4";"1";NULL;"Kido, M.; Kondo, K.; Yamashita, H.; Ogawa, H.";"Structure of OPC-21268";"Acta Crystallographica Section C";"1994";"50";NULL;"302";"304";NULL;NULL;NULL;NULL;NULL;NULL;NULL;"0.043";NULL;NULL;"0.049";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"has coordinates";"Kido, M.; Kondo, K.; Yamashita, H.; Ogawa, H.\nStructure of OPC-21268\nActa Crystallographica Section C\n50\n(1994)\n302-304";NULL
< "2009397";"22.426";"0.005";"22.426";"0.005";"6.395";"0.004";"90";NULL;"90";NULL;"120";NULL;"2785";"2";"296";NULL;"296";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"4";"R 3";"R 3";NULL;NULL;NULL;"- C10 H14 Cl1 O2 -";"- C10.3333 H14 Cl1.33333 O2 -";"- C93 H126 Cl12 O18 -";"9";NULL;NULL;"Leigh, D. A.; Moody, A. E.; Pritchard, R. G.";"2,7-Dimethyl-3,5-octadiyne-2,7-diol Dichloromethane Solvate: a Clathrate Comprising Hydrogen-Bonded Supramolecular Tunnels Containing Dichloromethane Guest Molecules";"Acta Crystallographica";"1994";"C50";NULL;"129";"131";NULL;NULL;NULL;NULL;NULL;NULL;NULL;"0.0609";NULL;NULL;"0.0736";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"has coordinates";"Leigh, D. A.; Moody, A. E.; Pritchard, R. G.\n2,7-Dimethyl-3,5-octadiyne-2,7-diol Dichloromethane Solvate: a Clathrate Comprising Hydrogen-Bonded Supramolecular Tunnels Containing Dichloromethane Guest Molecules\nActa Crystallographica\nC50\n(1994)\n129-131";NULL
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_013.inp:   FAILED:
1,3c1,2
< scripts/cif2cod: tests/inputs/2003003.cif data_2003003: WARNING, data item '_publ_section_title' is absent.
< scripts/cif2cod: tests/inputs/2003003.cif data_2003003: ERROR, 1 WARNING(s) encountered -- die on WARNING(s) requested.
< file;a;siga;b;sigb;c;sigc;alpha;sigalpha;beta;sigbeta;gamma;siggamma;vol;sigvol;celltemp;sigcelltemp;diffrtemp;sigdiffrtemp;cellpressure;sigcellpressure;diffrpressure;sigdiffrpressure;thermalhist;pressurehist;compoundsource;nel;sg;sgHall;commonname;chemname;mineral;formula;calcformula;cellformula;Z;Zprime;acce_code;authors;title;journal;year;volume;issue;firstpage;lastpage;doi;method;radiation;wavelength;radType;radSymbol;Rall;Robs;Rref;wRall;wRobs;wRref;RFsqd;RI;gofall;gofobs;gofgt;duplicateof;optimal;status;flags;text;onhold
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_014.inp:   FAILED:
1,5c1,2
< scripts/cif2cod: tests/inputs/2003003.cif data_2003003: WARNING, data item '_publ_section_title' is absent.
< file;a;siga;b;sigb;c;sigc;alpha;sigalpha;beta;sigbeta;gamma;siggamma;vol;sigvol;celltemp;sigcelltemp;diffrtemp;sigdiffrtemp;cellpressure;sigcellpressure;diffrpressure;sigdiffrpressure;thermalhist;pressurehist;compoundsource;nel;sg;sgHall;commonname;chemname;mineral;formula;calcformula;cellformula;Z;Zprime;acce_code;authors;title;journal;year;volume;issue;firstpage;lastpage;doi;method;radiation;wavelength;radType;radSymbol;Rall;Robs;Rref;wRall;wRobs;wRref;RFsqd;RI;gofall;gofobs;gofgt;duplicateof;optimal;status;flags;text;onhold
< "2003003";"23.808";"0.004";"23.808";"0.004";"23.140";"0.003";"90.00";NULL;"90.00";NULL;"90.00";NULL;"13116";"4";"293";"2";"293";"2";NULL;NULL;NULL;NULL;NULL;NULL;NULL;"0";"P 4 21 2";"P 4ab 2ab";"gamma-Cyclodextrin methanol";NULL;NULL;"?";"- C48 H56 O53.28 -";"- C288 H336 O319.68 -";"6";"0.75";NULL;"";"";"Acta Crystallographica, Section B";"1998";"B54";NULL;"450";"455";NULL;NULL;NULL;"1.54176";"CuKα";NULL;".1520";".0860";NULL;".2618";".2201";NULL;NULL;NULL;"1.009";"1.339";NULL;NULL;NULL;NULL;"has coordinates,has disorder";"\n\nActa Crystallographica, Section B\nB54\n(1998)\n450-455";NULL
< "2009480";"16.768";"0.006";"8.958";"0.003";"17.243";"0.004";"90";NULL;"113.50";"0.02";"90";NULL;"2375.0";"1";"ambient temperature";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"4";"P 1 21/c 1";"-P 2ybc";NULL;NULL;NULL;"- C26 H31 N3 O4 -";"- C26 H31 N3 O4 -";"- C104 H124 N12 O16 -";"4";"1";NULL;"Kido, M.; Kondo, K.; Yamashita, H.; Ogawa, H.";"Structure of OPC-21268";"Acta Crystallographica Section C";"1994";"50";NULL;"302";"304";NULL;NULL;NULL;NULL;NULL;NULL;NULL;"0.043";NULL;NULL;"0.049";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"has coordinates";"Kido, M.; Kondo, K.; Yamashita, H.; Ogawa, H.\nStructure of OPC-21268\nActa Crystallographica Section C\n50\n(1994)\n302-304";NULL
< "2009397";"22.426";"0.005";"22.426";"0.005";"6.395";"0.004";"90";NULL;"90";NULL;"120";NULL;"2785";"2";"296";NULL;"296";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"4";"R 3";"R 3";NULL;NULL;NULL;"- C10 H14 Cl1 O2 -";"- C10.3333 H14 Cl1.33333 O2 -";"- C93 H126 Cl12 O18 -";"9";NULL;NULL;"Leigh, D. A.; Moody, A. E.; Pritchard, R. G.";"2,7-Dimethyl-3,5-octadiyne-2,7-diol Dichloromethane Solvate: a Clathrate Comprising Hydrogen-Bonded Supramolecular Tunnels Containing Dichloromethane Guest Molecules";"Acta Crystallographica";"1994";"C50";NULL;"129";"131";NULL;NULL;NULL;NULL;NULL;NULL;NULL;"0.0609";NULL;NULL;"0.0736";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"has coordinates";"Leigh, D. A.; Moody, A. E.; Pritchard, R. G.\n2,7-Dimethyl-3,5-octadiyne-2,7-diol Dichloromethane Solvate: a Clathrate Comprising Hydrogen-Bonded Supramolecular Tunnels Containing Dichloromethane Guest Molecules\nActa Crystallographica\nC50\n(1994)\n129-131";NULL
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_015.inp:   FAILED:
1,3c1,2
< scripts/cif2cod: tests/cases/cif2cod_015.inp data_2003005: WARNING, data item '_publ_section_title' is absent.
< file;a;siga;b;sigb;c;sigc;alpha;sigalpha;beta;sigbeta;gamma;siggamma;vol;sigvol;celltemp;sigcelltemp;diffrtemp;sigdiffrtemp;cellpressure;sigcellpressure;diffrpressure;sigdiffrpressure;thermalhist;pressurehist;compoundsource;nel;sg;sgHall;commonname;chemname;mineral;formula;calcformula;cellformula;Z;Zprime;acce_code;authors;title;journal;year;volume;issue;firstpage;lastpage;doi;method;radiation;wavelength;radType;radSymbol;Rall;Robs;Rref;wRall;wRobs;wRref;RFsqd;RI;gofall;gofobs;gofgt;duplicateof;optimal;status;flags;text;onhold
< "2003005";"10.772";"0.002";"10.772";"0.002";"10.772";"0.002";"90";NULL;"90";NULL;"90";NULL;"1250.1";"0.6";"293";NULL;"293";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"3";"P 21 3";"P 2ac 2ab 3";NULL;NULL;NULL;"- Ag7 P Se6 -";"- Ag7 P Se6 -";"- Ag28 P4 Se24 -";"4";"0.333333333333333";NULL;"";"";"Acta Crystallographica, Section B";"1998";"54";NULL;"376";"383";NULL;NULL;NULL;".56090";"AgK-L~2,3~";NULL;NULL;".0267";NULL;NULL;".0266";NULL;NULL;NULL;NULL;".76";NULL;NULL;NULL;NULL;"has coordinates";"\n\nActa Crystallographica, Section B\n54\n(1998)\n376-383";NULL
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_016.inp:   FAILED:
1,8c1,2
< scripts/cif2cod: tests/cases/cif2cod_016.inp data_global: WARNING, data block does not contain fractional coordinates.
< scripts/cif2cod: tests/cases/cif2cod_016.inp data_C5H17AlN2O8P2: WARNING, data item '_publ_section_title' is absent.
< scripts/cif2cod: tests/cases/cif2cod_016.inp data_C5H17AlN2O8P2: WARNING, data item '_journal_name_full' is absent.
< scripts/cif2cod: tests/cases/cif2cod_016.inp data_C5H17AlN2O8P2: WARNING, data item '_journal_year' is absent.
< scripts/cif2cod: tests/cases/cif2cod_016.inp data_C5H17AlN2O8P2: WARNING, data item '_journal_volume' is absent.
< scripts/cif2cod: tests/cases/cif2cod_016.inp data_C5H17AlN2O8P2: WARNING, data item '_journal_page_first' is absent.
< scripts/cif2cod: tests/cases/cif2cod_016.inp data_C5H17AlN2O8P2: WARNING, no Hall space group symbol found.
< "C5H17AlN2O8P2";"7.8783";"0.0002";"10.46890";"0.0001";"16.0680";"0.0004";"90.00";NULL;"95.1470";"0.001";"90.00";NULL;"1319.90";"0.05";"296";"2";"296";"2";NULL;NULL;NULL;NULL;NULL;NULL;"6";"P2~1~/n";NULL;NULL;NULL;"- C5 H17 Al N2 O8 P2 -";"- C5 H17 Al N2 O8 P2 -";NULL;"";"";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"has coordinates";"\n\n\n\n()\n"
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_017.inp:   FAILED:
1,8c1,2
< scripts/cif2cod: tests/cases/cif2cod_017.inp data_global: WARNING, data block does not contain fractional coordinates.
< scripts/cif2cod: tests/cases/cif2cod_017.inp data_C5H17AlN2O8P2: WARNING, data item '_publ_section_title' is absent.
< scripts/cif2cod: tests/cases/cif2cod_017.inp data_C5H17AlN2O8P2: WARNING, data item '_journal_name_full' is absent.
< scripts/cif2cod: tests/cases/cif2cod_017.inp data_C5H17AlN2O8P2: WARNING, data item '_journal_year' is absent.
< scripts/cif2cod: tests/cases/cif2cod_017.inp data_C5H17AlN2O8P2: WARNING, data item '_journal_volume' is absent.
< scripts/cif2cod: tests/cases/cif2cod_017.inp data_C5H17AlN2O8P2: WARNING, data item '_journal_page_first' is absent.
< scripts/cif2cod: tests/cases/cif2cod_017.inp data_C5H17AlN2O8P2: WARNING, no Hall space group symbol found.
< "1000000";"7.8783";"0.0002";"10.46890";"0.0001";"16.0680";"0.0004";"90.00";NULL;"95.1470";"0.001";"90.00";NULL;"1319.90";"0.05";"296";"2";"296";"2";NULL;NULL;NULL;NULL;NULL;NULL;"6";"P2~1~/n";NULL;NULL;NULL;"- C5 H17 Al N2 O8 P2 -";"- C5 H17 Al N2 O8 P2 -";NULL;"";"";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"has coordinates";"\n\n\n\n()\n"
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_018.inp:   FAILED:
1,2c1,2
< file;a;siga;b;sigb;c;sigc;alpha;sigalpha;beta;sigbeta;gamma;siggamma;vol;sigvol;celltemp;sigcelltemp;diffrtemp;sigdiffrtemp;cellpressure;sigcellpressure;diffrpressure;sigdiffrpressure;thermalhist;pressurehist;compoundsource;nel;sg;sgHall;commonname;chemname;mineral;formula;calcformula;cellformula;Z;Zprime;acce_code;authors;title;journal;year;volume;issue;firstpage;lastpage;doi;method;radiation;wavelength;radType;radSymbol;Rall;Robs;Rref;wRall;wRobs;wRref;RFsqd;RI;gofall;gofobs;gofgt;duplicateof;optimal;status;flags;text;onhold
< "1100163";"12.9507";"0.0017";"9.0191";"0.0011";"22.209";"0.003";"90.00";NULL;"119.763";"0.006";"90.00";NULL;"2251.9";"0.5";"293";"2";"293";"2";NULL;NULL;NULL;NULL;NULL;NULL;NULL;"5";"P 1 21/c 1";"-P 2ybc";NULL;NULL;NULL;"- C46 H46 N12 O6 Zn -";"- C46 H46 N12 O6 Zn -";"- C92 H92 N24 O12 Zn2 -";"2";"0.5";NULL;"Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan";"'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole'";"Polyhedron";"2004";"23";NULL;"1505";"1518";NULL;NULL;"xray";"0.71073";"MoKα";NULL;"0.1162";"0.0621";NULL;NULL;"0.1005";"0.1152";NULL;NULL;NULL;"1.048";NULL;NULL;NULL;NULL;"has coordinates";"Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan\n'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole'\nPolyhedron\n23\n(2004)\n1505-1518";NULL
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_019.inp:   FAILED:
1,2c1,2
< file;a;siga;b;sigb;c;sigc;alpha;sigalpha;beta;sigbeta;gamma;siggamma;vol;sigvol;celltemp;sigcelltemp;diffrtemp;sigdiffrtemp;cellpressure;sigcellpressure;diffrpressure;sigdiffrpressure;thermalhist;pressurehist;compoundsource;nel;sg;sgHall;commonname;chemname;mineral;formula;calcformula;cellformula;Z;Zprime;acce_code;authors;title;journal;year;volume;issue;firstpage;lastpage;doi;method;radiation;wavelength;radType;radSymbol;Rall;Robs;Rref;wRall;wRobs;wRref;RFsqd;RI;gofall;gofobs;gofgt;duplicateof;optimal;status;flags;text;onhold
< "2000583";"5.5408";"0.0004";"5.8745";"0.0004";"7.7356";"0.0005";"90";NULL;"90";NULL;"90";NULL;"251.79";"0.05";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"3";"P 21 21 21";"P 2ac 2ab";NULL;NULL;NULL;"- D I O3 -";"- D I O3 -";"- D4 I4 O12 -";"4";"1";"AB0266";"Ståhl, K.; Szafranski, M.";"A neutron powder diffraction study of HIO~3~ and DIO~3~";"Acta Crystallographica Section C";"1992";"48";"9";"1571";"1574";NULL;NULL;NULL;"1.4700";"Neutron";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"has coordinates";"Ståhl, K.; Szafranski, M.\nA neutron powder diffraction study of HIO~3~ and DIO~3~\nActa Crystallographica Section C\n48(9)\n(1992)\n1571-1574";NULL
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_020.inp:   FAILED:
1,2c1,2
< file;a;siga;b;sigb;c;sigc;alpha;sigalpha;beta;sigbeta;gamma;siggamma;vol;sigvol;celltemp;sigcelltemp;diffrtemp;sigdiffrtemp;cellpressure;sigcellpressure;diffrpressure;sigdiffrpressure;thermalhist;pressurehist;compoundsource;nel;sg;sgHall;commonname;chemname;mineral;formula;calcformula;cellformula;Z;Zprime;acce_code;authors;title;journal;year;volume;issue;firstpage;lastpage;doi;method;radiation;wavelength;radType;radSymbol;Rall;Robs;Rref;wRall;wRobs;wRref;RFsqd;RI;gofall;gofobs;gofgt;duplicateof;optimal;status;flags;text;onhold
< "8102326";"6.851";"0.002";"11.716";"0.004";"21.283";"0.007";"90.00";NULL;"90.00";NULL;"90.00";NULL;"1708.3";"1";"293.15";NULL;"293.15";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"6";"P c c n";"-P 2ab 2ac";NULL;"diaqua-dichloro(1,10-phenanthroline)-chromium(iii) chloride dihydrate";NULL;"- C12 H16 Cl3 Cr N2 O4 -";"- C12 H16 Cl3 Cr N2 O4 -";"- C48 H64 Cl12 Cr4 N8 O16 -";"4";"0.5";NULL;"Yong-Li Yang; Feng-Ge Li; Qing-Juan Zhang; Yan-Feng Ding; Yu-Heng Deng";"Crystal structure of diaquadichloro(1,10-phenanthroline)chromium(III) chloride dihydrate, [CrCl2(C12H8N2)(H2O)2]Cl · 2H2O";"Zeitschrift für Kristallographie - New Crystal Structures";"2008";"223";"4";"409";NULL;NULL;NULL;NULL;"0.7107";"MoKα";NULL;"0.0439";"0.0403";NULL;NULL;"0.1339";"0.1393";NULL;NULL;NULL;"1.043";NULL;NULL;NULL;NULL;"has coordinates";"Yong-Li Yang; Feng-Ge Li; Qing-Juan Zhang; Yan-Feng Ding; Yu-Heng Deng\nCrystal structure of diaquadichloro(1,10-phenanthroline)chromium(III) chloride dihydrate, [CrCl2(C12H8N2)(H2O)2]Cl · 2H2O\nZeitschrift für Kristallographie - New Crystal Structures\n223(4)\n(2008)\n409";NULL
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_021.inp:   FAILED:
1,2c1,2
< scripts/cif2cod: tests/cases/cif2cod_021.inp data_chateigner4_: WARNING, no Hall space group symbol found.
< "chateigner4_";"4.0055";"0.0009";"3.9897";"0.0008";"4.0426";"0.0008";"90";NULL;"90.19";"0.02";"90";NULL;"64.60";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"5";"P m";NULL;NULL;NULL;"- Pb1 Mg0.213 Nb0.427 Ti0.36 O3 -";"- Mg0.213 Nb0.427 O3 Pb Ti0.36 -";NULL;"Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana";"Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3";"Physical Review B";"2006";"74";NULL;NULL;NULL;NULL;NULL;NULL;"has coordinates";"Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana\nPowder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3\nPhysical Review B\n74\n(2006)\n"
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_022.inp:   FAILED:
1c1,2
< "2203315";"6.572";"0.003";"6.199";"0.003";"9.463";"0.003";"90.00";NULL;"104.54";"0.03";"90.00";NULL;"373.2";"0.3";"298";"2";"298";"2";NULL;NULL;NULL;NULL;NULL;NULL;"4";"P 1 21/m 1";"-P 2yb";NULL;"1,4-Diacetyl-1,2,4-triazolin-5-one";"- C6 H7 N3 O3 -";"- C6 H7 N3 O3 -";NULL;"Crockett, Rowena; Forrester, Alexander R.; Howie, R. Alan";"1,4-Diacetyl-1,2,4-triazolin-5-one";"Acta Crystallographica, Section E";"2004";"60";"3";"o460";"o461";NULL;NULL;NULL;"has coordinates,has Fobs";"Crockett, Rowena; Forrester, Alexander R.; Howie, R. Alan\n1,4-Diacetyl-1,2,4-triazolin-5-one\nActa Crystallographica, Section E\n60(3)\n(2004)\no460-o461"
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_023.inp:   FAILED:
1,10c1,2
< scripts/cif2cod: tests/cases/cif2cod_023.inp data_1000023: WARNING, data item '_publ_section_title' is absent.
< scripts/cif2cod: tests/cases/cif2cod_023.inp data_1000023: WARNING, data item '_journal_name_full' is absent.
< scripts/cif2cod: tests/cases/cif2cod_023.inp data_1000023: WARNING, data item '_journal_year' is absent.
< scripts/cif2cod: tests/cases/cif2cod_023.inp data_1000023: WARNING, data item '_journal_volume' is absent.
< scripts/cif2cod: tests/cases/cif2cod_023.inp data_1000023: WARNING, data item '_journal_page_first' is absent.
< scripts/cif2cod: tests/cases/cif2cod_023.inp data_1000023: WARNING, no Hall space group symbol found.
< scripts/cif2cod: tests/cases/cif2cod_023.inp data_1000023: WARNING, the _cell_formula_units_Z data item is missing -- the Z value will be estimated.
< scripts/cif2cod: tests/cases/cif2cod_023.inp data_1000023: WARNING, not enough data to estimate Z; crystal density undefined; molecular weight undefined -- assuming Z = 1.
< file;a;siga;b;sigb;c;sigc;alpha;sigalpha;beta;sigbeta;gamma;siggamma;vol;sigvol;celltemp;sigcelltemp;diffrtemp;sigdiffrtemp;cellpressure;sigcellpressure;diffrpressure;sigdiffrpressure;thermalhist;pressurehist;compoundsource;nel;sg;sgHall;commonname;chemname;mineral;formula;calcformula;cellformula;Z;Zprime;acce_code;authors;title;journal;year;volume;issue;firstpage;lastpage;doi;method;radiation;wavelength;radType;radSymbol;Rall;Robs;Rref;wRall;wRobs;wRref;RFsqd;RI;gofall;gofobs;gofgt;duplicateof;optimal;status;flags;text;onhold
< "1000023";"7.9296";"0.0001";"9.3275";"0.0002";"6.2555";"0.0001";"107.160";"0.001";"101.011";"0.001";"105.830";"0.001";"406.34";"0.01";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"4";"P -1";NULL;NULL;NULL;NULL;"- Cu3 Fe4 O24 P6 -";"- Cu2.9376 Fe4 O24 P6 -";"- Cu2.9376 Fe4 O24 P6 -";NULL;NULL;NULL;"";"";NULL;NULL;NULL;NULL;NULL;NULL;NULL;"powder diffraction";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"has coordinates";"\n\n\n\n()\n";NULL
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_024.inp:   FAILED:
1,10c1,2
< scripts/cif2cod: tests/cases/cif2cod_024.inp data_1000023: WARNING, data item '_publ_section_title' is absent.
< scripts/cif2cod: tests/cases/cif2cod_024.inp data_1000023: WARNING, data item '_journal_name_full' is absent.
< scripts/cif2cod: tests/cases/cif2cod_024.inp data_1000023: WARNING, data item '_journal_year' is absent.
< scripts/cif2cod: tests/cases/cif2cod_024.inp data_1000023: WARNING, data item '_journal_volume' is absent.
< scripts/cif2cod: tests/cases/cif2cod_024.inp data_1000023: WARNING, data item '_journal_page_first' is absent.
< scripts/cif2cod: tests/cases/cif2cod_024.inp data_1000023: WARNING, no Hall space group symbol found.
< scripts/cif2cod: tests/cases/cif2cod_024.inp data_1000023: WARNING, the _cell_formula_units_Z data item is missing -- the Z value will be estimated.
< scripts/cif2cod: tests/cases/cif2cod_024.inp data_1000023: WARNING, not enough data to estimate Z; crystal density undefined; molecular weight undefined -- assuming Z = 1.
< file;method;flags
< "1000023";"powder diffraction";"has coordinates"
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_025.inp:   FAILED:
1,20c1,2
< scripts/cif2cod: tests/cases/cif2cod_025.inp data_3b: WARNING, data item '_journal_year' is absent.
< scripts/cif2cod: tests/cases/cif2cod_025.inp data_3b: WARNING, data item '_journal_volume' is absent.
< scripts/cif2cod: tests/cases/cif2cod_025.inp data_3b: WARNING, data item '_journal_page_first' is absent.
< scripts/cif2cod: tests/cases/cif2cod_025.inp data_3b: WARNING, no Hall space group symbol found.
< scripts/cif2cod: tests/cases/cif2cod_025.inp data_4: WARNING, data item '_journal_year' is absent.
< scripts/cif2cod: tests/cases/cif2cod_025.inp data_4: WARNING, data item '_journal_volume' is absent.
< scripts/cif2cod: tests/cases/cif2cod_025.inp data_4: WARNING, data item '_journal_page_first' is absent.
< scripts/cif2cod: tests/cases/cif2cod_025.inp data_4: WARNING, no Hall space group symbol found.
< scripts/cif2cod: tests/cases/cif2cod_025.inp data_5: WARNING, data item '_journal_year' is absent.
< scripts/cif2cod: tests/cases/cif2cod_025.inp data_5: WARNING, data item '_journal_volume' is absent.
< scripts/cif2cod: tests/cases/cif2cod_025.inp data_5: WARNING, data item '_journal_page_first' is absent.
< scripts/cif2cod: tests/cases/cif2cod_025.inp data_5: WARNING, no Hall space group symbol found.
< scripts/cif2cod: tests/cases/cif2cod_025.inp data_6: WARNING, data item '_journal_year' is absent.
< scripts/cif2cod: tests/cases/cif2cod_025.inp data_6: WARNING, data item '_journal_volume' is absent.
< scripts/cif2cod: tests/cases/cif2cod_025.inp data_6: WARNING, data item '_journal_page_first' is absent.
< scripts/cif2cod: tests/cases/cif2cod_025.inp data_6: WARNING, no Hall space group symbol found.
< "3b";"19.121";"0.011";"9.018";"0.005";"20.973";"0.011";"90.00";NULL;"103.516";"0.018";"90.00";NULL;"3516";"3";"110";"2";"110";"2";NULL;NULL;NULL;NULL;NULL;NULL;"6";"P2(1)/n";NULL;NULL;NULL;"- C10 H24 B7 Fe O3 P -";"- C10 H24 B7 Fe O3 P -";NULL;"A.Franken; P.Lei; T.D.McGrath; F.G.A.Stone";"Carbonyl-metal fragment insertion into eight-vertex [closo-1-CB~7~H~8~]^-^. Facile synthesis of ten-vertex metalladicarbollide complexes [2,2,2-(CO)~3~- 1-OH-closo-2,1,10-MC~2~B~7~H~8~]^n-^ {M= Fe, Ru (n = 0), Mn, Re (n = 1)}";"Chem.Commun.";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"has coordinates";"A.Franken; P.Lei; T.D.McGrath; F.G.A.Stone\nCarbonyl-metal fragment insertion into eight-vertex [closo-1-CB~7~H~8~]^-^. Facile synthesis of ten-vertex metalladicarbollide complexes [2,2,2-(CO)~3~- 1-OH-closo-2,1,10-MC~2~B~7~H~8~]^n-^ {M= Fe, Ru (n = 0), Mn, Re (n = 1)}\nChem.Commun.\n\n()\n"
< "4";"7.6548";"0.0007";"11.6193";"0.0012";"19.6123";"0.0019";"93.716";"0.005";"98.033";"0.005";"90.739";"0.005";"1723.2";"0.3";"110";"2";"110";"2";NULL;NULL;NULL;NULL;NULL;NULL;"5";"P-1";NULL;NULL;NULL;"- C5 H9 B7 O4 Ru -";"- C5 H9 B7 O4 Ru -";NULL;"A.Franken; P.Lei; T.D.McGrath; F.G.A.Stone";"Carbonyl-metal fragment insertion into eight-vertex [closo-1-CB~7~H~8~]^-^. Facile synthesis of ten-vertex metalladicarbollide complexes [2,2,2-(CO)~3~- 1-OH-closo-2,1,10-MC~2~B~7~H~8~]^n-^ {M= Fe, Ru (n = 0), Mn, Re (n = 1)}";"Chem.Commun.";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"has coordinates";"A.Franken; P.Lei; T.D.McGrath; F.G.A.Stone\nCarbonyl-metal fragment insertion into eight-vertex [closo-1-CB~7~H~8~]^-^. Facile synthesis of ten-vertex metalladicarbollide complexes [2,2,2-(CO)~3~- 1-OH-closo-2,1,10-MC~2~B~7~H~8~]^n-^ {M= Fe, Ru (n = 0), Mn, Re (n = 1)}\nChem.Commun.\n\n()\n"
< "5";"14.972";"0.002";"15.004";"0.003";"17.410";"0.003";"90.00";NULL;"95.022";"0.006";"90.00";NULL;"3895.9";"1.1";"110";"2";"110";"2";NULL;NULL;NULL;NULL;NULL;NULL;"7";"P2(1)/n";NULL;NULL;NULL;"- C41 H39 B7 Mn N O4 P2 -";"- C41 H39 B7 Mn N O4 P2 -";NULL;"A.Franken; P.Lei; T.D.McGrath; F.G.A.Stone";"Carbonyl-metal fragment insertion into eight-vertex [closo-1-CB~7~H~8~]^-^. Facile synthesis of ten-vertex metalladicarbollide complexes [2,2,2-(CO)~3~- 1-OH-closo-2,1,10-MC~2~B~7~H~8~]^n-^ {M= Fe, Ru (n = 0), Mn, Re (n = 1)}";"Chem.Commun.";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"has coordinates";"A.Franken; P.Lei; T.D.McGrath; F.G.A.Stone\nCarbonyl-metal fragment insertion into eight-vertex [closo-1-CB~7~H~8~]^-^. Facile synthesis of ten-vertex metalladicarbollide complexes [2,2,2-(CO)~3~- 1-OH-closo-2,1,10-MC~2~B~7~H~8~]^n-^ {M= Fe, Ru (n = 0), Mn, Re (n = 1)}\nChem.Commun.\n\n()\n"
< "6";"15.098";"0.003";"15.289";"0.003";"17.297";"0.004";"90.00";NULL;"98.085";"0.009";"90.00";NULL;"3953.1";"1.4";"110";"2";"110";"2";NULL;NULL;NULL;NULL;NULL;NULL;"7";"P2(1)/n";NULL;NULL;NULL;"- C41 H39 B7 N O4 P2 Re -";"- C41 H39 B7 N O4 P2 Re -";NULL;"A.Franken; P.Lei; T.D.McGrath; F.G.A.Stone";"Carbonyl-metal fragment insertion into eight-vertex [closo-1-CB~7~H~8~]^-^. Facile synthesis of ten-vertex metalladicarbollide complexes [2,2,2-(CO)~3~- 1-OH-closo-2,1,10-MC~2~B~7~H~8~]^n-^ {M= Fe, Ru (n = 0), Mn, Re (n = 1)}";"Chem.Commun.";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"has coordinates";"A.Franken; P.Lei; T.D.McGrath; F.G.A.Stone\nCarbonyl-metal fragment insertion into eight-vertex [closo-1-CB~7~H~8~]^-^. Facile synthesis of ten-vertex metalladicarbollide complexes [2,2,2-(CO)~3~- 1-OH-closo-2,1,10-MC~2~B~7~H~8~]^n-^ {M= Fe, Ru (n = 0), Mn, Re (n = 1)}\nChem.Commun.\n\n()\n"
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_026.inp:   FAILED:
1,20c1,2
< scripts/cif2cod: tests/cases/cif2cod_026.inp data_3b: WARNING, data item '_journal_year' is absent.
< scripts/cif2cod: tests/cases/cif2cod_026.inp data_3b: WARNING, data item '_journal_volume' is absent.
< scripts/cif2cod: tests/cases/cif2cod_026.inp data_3b: WARNING, data item '_journal_page_first' is absent.
< scripts/cif2cod: tests/cases/cif2cod_026.inp data_3b: WARNING, no Hall space group symbol found.
< scripts/cif2cod: tests/cases/cif2cod_026.inp data_4: WARNING, data item '_journal_year' is absent.
< scripts/cif2cod: tests/cases/cif2cod_026.inp data_4: WARNING, data item '_journal_volume' is absent.
< scripts/cif2cod: tests/cases/cif2cod_026.inp data_4: WARNING, data item '_journal_page_first' is absent.
< scripts/cif2cod: tests/cases/cif2cod_026.inp data_4: WARNING, no Hall space group symbol found.
< scripts/cif2cod: tests/cases/cif2cod_026.inp data_5: WARNING, data item '_journal_year' is absent.
< scripts/cif2cod: tests/cases/cif2cod_026.inp data_5: WARNING, data item '_journal_volume' is absent.
< scripts/cif2cod: tests/cases/cif2cod_026.inp data_5: WARNING, data item '_journal_page_first' is absent.
< scripts/cif2cod: tests/cases/cif2cod_026.inp data_5: WARNING, no Hall space group symbol found.
< scripts/cif2cod: tests/cases/cif2cod_026.inp data_6: WARNING, data item '_journal_year' is absent.
< scripts/cif2cod: tests/cases/cif2cod_026.inp data_6: WARNING, data item '_journal_volume' is absent.
< scripts/cif2cod: tests/cases/cif2cod_026.inp data_6: WARNING, data item '_journal_page_first' is absent.
< scripts/cif2cod: tests/cases/cif2cod_026.inp data_6: WARNING, no Hall space group symbol found.
< "3b";"19.121";"0.011";"9.018";"0.005";"20.973";"0.011";"90.00";NULL;"103.516";"0.018";"90.00";NULL;"3516";"3";"110";"2";"110";"2";NULL;NULL;NULL;NULL;NULL;NULL;"6";"P2(1)/n";NULL;NULL;NULL;"- C10 H24 B7 Fe O3 P -";"- C10 H24 B7 Fe O3 P -";NULL;"A.Franken; P.Lei; T.D.McGrath; F.G.A.Stone";"Carbonyl-metal fragment insertion into eight-vertex [closo-1-CB~7~H~8~]^-^. Facile synthesis of ten-vertex metalladicarbollide complexes [2,2,2-(CO)~3~- 1-OH-closo-2,1,10-MC~2~B~7~H~8~]^n-^ {M= Fe, Ru (n = 0), Mn, Re (n = 1)}";"Chem.Commun.";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"has coordinates";"A.Franken; P.Lei; T.D.McGrath; F.G.A.Stone\nCarbonyl-metal fragment insertion into eight-vertex [closo-1-CB~7~H~8~]^-^. Facile synthesis of ten-vertex metalladicarbollide complexes [2,2,2-(CO)~3~- 1-OH-closo-2,1,10-MC~2~B~7~H~8~]^n-^ {M= Fe, Ru (n = 0), Mn, Re (n = 1)}\nChem.Commun.\n\n()\n"
< "4";"7.6548";"0.0007";"11.6193";"0.0012";"19.6123";"0.0019";"93.716";"0.005";"98.033";"0.005";"90.739";"0.005";"1723.2";"0.3";"110";"2";"110";"2";NULL;NULL;NULL;NULL;NULL;NULL;"5";"P-1";NULL;NULL;NULL;"- C5 H9 B7 O4 Ru -";"- C5 H9 B7 O4 Ru -";NULL;"A.Franken; P.Lei; T.D.McGrath; F.G.A.Stone";"Carbonyl-metal fragment insertion into eight-vertex [closo-1-CB~7~H~8~]^-^. Facile synthesis of ten-vertex metalladicarbollide complexes [2,2,2-(CO)~3~- 1-OH-closo-2,1,10-MC~2~B~7~H~8~]^n-^ {M= Fe, Ru (n = 0), Mn, Re (n = 1)}";"Chem.Commun.";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"has coordinates";"A.Franken; P.Lei; T.D.McGrath; F.G.A.Stone\nCarbonyl-metal fragment insertion into eight-vertex [closo-1-CB~7~H~8~]^-^. Facile synthesis of ten-vertex metalladicarbollide complexes [2,2,2-(CO)~3~- 1-OH-closo-2,1,10-MC~2~B~7~H~8~]^n-^ {M= Fe, Ru (n = 0), Mn, Re (n = 1)}\nChem.Commun.\n\n()\n"
< "5";"14.972";"0.002";"15.004";"0.003";"17.410";"0.003";"90.00";NULL;"95.022";"0.006";"90.00";NULL;"3895.9";"1.1";"110";"2";"110";"2";NULL;NULL;NULL;NULL;NULL;NULL;"7";"P2(1)/n";NULL;NULL;NULL;"- C41 H39 B7 Mn N O4 P2 -";"- C41 H39 B7 Mn N O4 P2 -";NULL;"A.Franken; P.Lei; T.D.McGrath; F.G.A.Stone";"Carbonyl-metal fragment insertion into eight-vertex [closo-1-CB~7~H~8~]^-^. Facile synthesis of ten-vertex metalladicarbollide complexes [2,2,2-(CO)~3~- 1-OH-closo-2,1,10-MC~2~B~7~H~8~]^n-^ {M= Fe, Ru (n = 0), Mn, Re (n = 1)}";"Chem.Commun.";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"has coordinates";"A.Franken; P.Lei; T.D.McGrath; F.G.A.Stone\nCarbonyl-metal fragment insertion into eight-vertex [closo-1-CB~7~H~8~]^-^. Facile synthesis of ten-vertex metalladicarbollide complexes [2,2,2-(CO)~3~- 1-OH-closo-2,1,10-MC~2~B~7~H~8~]^n-^ {M= Fe, Ru (n = 0), Mn, Re (n = 1)}\nChem.Commun.\n\n()\n"
< "6";"15.098";"0.003";"15.289";"0.003";"17.297";"0.004";"90.00";NULL;"98.085";"0.009";"90.00";NULL;"3953.1";"1.4";"110";"2";"110";"2";NULL;NULL;NULL;NULL;NULL;NULL;"7";"P2(1)/n";NULL;NULL;NULL;"- C41 H39 B7 N O4 P2 Re -";"- C41 H39 B7 N O4 P2 Re -";NULL;"A.Franken; P.Lei; T.D.McGrath; F.G.A.Stone";"Carbonyl-metal fragment insertion into eight-vertex [closo-1-CB~7~H~8~]^-^. Facile synthesis of ten-vertex metalladicarbollide complexes [2,2,2-(CO)~3~- 1-OH-closo-2,1,10-MC~2~B~7~H~8~]^n-^ {M= Fe, Ru (n = 0), Mn, Re (n = 1)}";"Chem.Commun.";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"has coordinates";"A.Franken; P.Lei; T.D.McGrath; F.G.A.Stone\nCarbonyl-metal fragment insertion into eight-vertex [closo-1-CB~7~H~8~]^-^. Facile synthesis of ten-vertex metalladicarbollide complexes [2,2,2-(CO)~3~- 1-OH-closo-2,1,10-MC~2~B~7~H~8~]^n-^ {M= Fe, Ru (n = 0), Mn, Re (n = 1)}\nChem.Commun.\n\n()\n"
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_027.inp:   FAILED:
1,4c1,2
< scripts/cif2cod: tests/cases/cif2cod_027.inp data_cifdata_7009762: WARNING, the _cell_formula_units_Z data item is missing -- the Z value will be estimated.
< scripts/cif2cod: tests/cases/cif2cod_027.inp data_cifdata_7009762: WARNING, not enough data to estimate Z; molecular weight undefined -- assuming Z = 1.
< file;a;siga;b;sigb;c;sigc;alpha;sigalpha;beta;sigbeta;gamma;siggamma;vol;sigvol;celltemp;sigcelltemp;diffrtemp;sigdiffrtemp;cellpressure;sigcellpressure;diffrpressure;sigdiffrpressure;thermalhist;pressurehist;compoundsource;nel;sg;sgHall;commonname;chemname;mineral;formula;calcformula;cellformula;Z;Zprime;acce_code;authors;title;journal;year;volume;issue;firstpage;lastpage;doi;method;radiation;wavelength;radType;radSymbol;Rall;Robs;Rref;wRall;wRobs;wRref;RFsqd;RI;gofall;gofobs;gofgt;duplicateof;optimal;status;flags;text;onhold
< "cifdata_7009762";"5.852";NULL;"5.852";NULL;"3.453";NULL;"90";NULL;"90";NULL;"120";NULL;"102.408";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"2";"P 3 2 1";"P 3 2\"";NULL;NULL;"Barringerite";"- Fe2 P -";"- Fe6 P3 -";"- Fe6 P3 -";NULL;NULL;NULL;"Hendricks, S. B.; Kosting, P. R.";"The crystal structure of Fe2P, Fe2N, Fe3N and FeB Locality: synthetic";"Zeitschrift fur Kristallographie";"1930";"74";NULL;"511";"533";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"has coordinates";"Hendricks, S. B.; Kosting, P. R.\nThe crystal structure of Fe2P, Fe2N, Fe3N and FeB Locality: synthetic\nZeitschrift fur Kristallographie\n74\n(1930)\n511-533";NULL
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_028.inp:   FAILED:
1,3c1,2
< scripts/cif2cod: tests/cases/cif2cod_028.inp data_1000035: WARNING, no Hall space group symbol found.
< file;a;siga;b;sigb;c;sigc;alpha;sigalpha;beta;sigbeta;gamma;siggamma;vol;sigvol;celltemp;sigcelltemp;diffrtemp;sigdiffrtemp;cellpressure;sigcellpressure;diffrpressure;sigdiffrpressure;thermalhist;pressurehist;compoundsource;nel;sg;sgHall;commonname;chemname;mineral;formula;calcformula;cellformula;Z;Zprime;acce_code;authors;title;journal;year;volume;issue;firstpage;lastpage;doi;method;radiation;wavelength;radType;radSymbol;Rall;Robs;Rref;wRall;wRobs;wRref;RFsqd;RI;gofall;gofobs;gofgt;duplicateof;optimal;status;flags;text;onhold
< "1000035";"9.699";"0.001";"8.844";"0.001";"5.272";"0.001";"90";NULL;"106.97";"0.02";"90";NULL;"432.5";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"from Kakanui, New Zealand";"7";"C 1 2/c 1";NULL;NULL;"Sodium calcium magnesium iron titanium alumosilicate *";"Augite";"- Al.34 Ca.6 Fe.2 Mg.9 Na.1 O6 Si1.82 -";"- Al0.342 Ca0.616 Fe0.21 Mg0.902 Na0.09 O6 Si1.82 Ti0.02 -";"- Al1.368 Ca2.464 Fe0.84 Mg3.608 Na0.36 O24 Si7.28 Ti0.08 -";"4";"0.5";NULL;"Clark, J R; Appleman, D E; Papike, J J";"Crystal-Chemical Characterization of Clinopyroxenes based on Eight New Structure Refinements";"Mineralogical Society of America: Special Papers";"1969";"2";NULL;"31";"50";NULL;NULL;NULL;NULL;NULL;NULL;"0.049";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"has coordinates";"Clark, J R; Appleman, D E; Papike, J J\nCrystal-Chemical Characterization of Clinopyroxenes based on Eight New Structure Refinements\nMineralogical Society of America: Special Papers\n2\n(1969)\n31-50";NULL
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_029.inp:   FAILED:
1,27c1,2
< scripts/cif2cod: tests/cases/cif2cod_029.inp data_1000035: WARNING, no Hall space group symbol found.
< file 1000035
< a 9.699
< siga 0.001
< b 8.844
< sigb 0.001
< c 5.272
< sigc 0.001
< alpha 90
< beta 106.97
< sigbeta 0.02
< gamma 90
< vol 432.5
< nel 7
< sg C 1 2/c 1
< chemname Sodium calcium magnesium iron titanium alumosilicate *
< formula - Al.34 Ca.6 Fe.2 Mg.9 Na.1 O6 Si1.82 -
< calcformula - Al0.342 Ca0.616 Fe0.21 Mg0.902 Na0.09 O6 Si1.82 Ti0.02 -
< authors Clark, J R; Appleman, D E; Papike, J J
< title Crystal-Chemical Characterization of Clinopyroxenes based on Eight New Structure Refinements
< journal Mineralogical Society of America: Special Papers
< year 1969
< volume 2
< firstpage 31
< lastpage 50
< flags has coordinates
< text Clark, J R; Appleman, D E; Papike, J J\nCrystal-Chemical Characterization of Clinopyroxenes based on Eight New Structure Refinements\nMineralogical Society of America: Special Papers\n2\n(1969)\n31-50
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_030.opt:   FAILED:
1,94c1,2
< scripts/cif2cod: tests/inputs/1000023.cif data_1000023: WARNING, data item '_publ_section_title' is absent.
< scripts/cif2cod: tests/inputs/1000023.cif data_1000023: WARNING, data item '_journal_name_full' is absent.
< scripts/cif2cod: tests/inputs/1000023.cif data_1000023: WARNING, data item '_journal_year' is absent.
< scripts/cif2cod: tests/inputs/1000023.cif data_1000023: WARNING, data item '_journal_volume' is absent.
< scripts/cif2cod: tests/inputs/1000023.cif data_1000023: WARNING, data item '_journal_page_first' is absent.
< scripts/cif2cod: tests/inputs/1000023.cif data_1000023: WARNING, no Hall space group symbol found.
< scripts/cif2cod: tests/inputs/1000023.cif data_1000023: WARNING, the _cell_formula_units_Z data item is missing -- the Z value will be estimated.
< scripts/cif2cod: tests/inputs/1000023.cif data_1000023: WARNING, not enough data to estimate Z; crystal density undefined; molecular weight undefined -- assuming Z = 1.
< scripts/cif2cod: tests/inputs/1000000.cif data_global: WARNING, data block does not contain fractional coordinates.
< scripts/cif2cod: tests/inputs/1000000.cif data_C5H17AlN2O8P2: WARNING, data item '_publ_section_title' is absent.
< scripts/cif2cod: tests/inputs/1000000.cif data_C5H17AlN2O8P2: WARNING, data item '_journal_name_full' is absent.
< scripts/cif2cod: tests/inputs/1000000.cif data_C5H17AlN2O8P2: WARNING, data item '_journal_year' is absent.
< scripts/cif2cod: tests/inputs/1000000.cif data_C5H17AlN2O8P2: WARNING, data item '_journal_volume' is absent.
< scripts/cif2cod: tests/inputs/1000000.cif data_C5H17AlN2O8P2: WARNING, data item '_journal_page_first' is absent.
< scripts/cif2cod: tests/inputs/1000000.cif data_C5H17AlN2O8P2: WARNING, no Hall space group symbol found.
< file 1000023
< a 7.9296
< siga 0.0001
< b 9.3275
< sigb 0.0002
< c 6.2555
< sigc 0.0001
< alpha 107.160
< sigalpha 0.001
< beta 101.011
< sigbeta 0.001
< gamma 105.830
< siggamma 0.001
< vol 406.34
< sigvol 0.01
< nel 4
< sg P -1
< formula - Cu3 Fe4 O24 P6 -
< calcformula - Cu2.9376 Fe4 O24 P6 -
< authors 
< title 
< flags has coordinates
< text \n\n\n\n()\n
< 
< file C5H17AlN2O8P2
< a 7.8783
< siga 0.0002
< b 10.46890
< sigb 0.0001
< c 16.0680
< sigc 0.0004
< alpha 90.00
< beta 95.1470
< sigbeta 0.001
< gamma 90.00
< vol 1319.90
< sigvol 0.05
< celltemp 296
< sigcelltemp 2
< diffrtemp 296
< sigdiffrtemp 2
< nel 6
< sg P2~1~/n
< formula - C5 H17 Al N2 O8 P2 -
< calcformula - C5 H17 Al N2 O8 P2 -
< authors 
< title 
< flags has coordinates
< text \n\n\n\n()\n
< 
< file 8102326
< a 6.851
< siga 0.002
< b 11.716
< sigb 0.004
< c 21.283
< sigc 0.007
< alpha 90.00
< beta 90.00
< gamma 90.00
< vol 1708.3
< sigvol 1
< celltemp 293.15
< diffrtemp 293.15
< nel 6
< sg P c c n
< sgHall -P 2ab 2ac
< chemname diaqua-dichloro(1,10-phenanthroline)-chromium(iii) chloride dihydrate
< formula - C12 H16 Cl3 Cr N2 O4 -
< calcformula - C12 H16 Cl3 Cr N2 O4 -
< authors Yong-Li Yang; Feng-Ge Li; Qing-Juan Zhang; Yan-Feng Ding; Yu-Heng Deng
< title Crystal structure of diaquadichloro(1,10-phenanthroline)chromium(III) chloride dihydrate, [CrCl2(C12H8N2)(H2O)2]Cl · 2H2O
< journal Zeitschrift für Kristallographie - New Crystal Structures
< year 2008
< volume 223
< issue 4
< firstpage 409
< flags has coordinates
< text Yong-Li Yang; Feng-Ge Li; Qing-Juan Zhang; Yan-Feng Ding; Yu-Heng Deng\nCrystal structure of diaquadichloro(1,10-phenanthroline)chromium(III) chloride dihydrate, [CrCl2(C12H8N2)(H2O)2]Cl · 2H2O\nZeitschrift für Kristallographie - New Crystal Structures\n223(4)\n(2008)\n409
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_031.inp:   FAILED:
1,45c1,2
< scripts/cif2cod: tests/cases/cif2cod_031.inp data_global: WARNING, data block does not contain fractional coordinates.
< scripts/cif2cod: tests/cases/cif2cod_031.inp data_C5H17AlN2O8P2: WARNING, data item '_publ_section_title' is absent.
< scripts/cif2cod: tests/cases/cif2cod_031.inp data_C5H17AlN2O8P2: WARNING, data item '_journal_name_full' is absent.
< scripts/cif2cod: tests/cases/cif2cod_031.inp data_C5H17AlN2O8P2: WARNING, data item '_journal_year' is absent.
< scripts/cif2cod: tests/cases/cif2cod_031.inp data_C5H17AlN2O8P2: WARNING, data item '_journal_volume' is absent.
< scripts/cif2cod: tests/cases/cif2cod_031.inp data_C5H17AlN2O8P2: WARNING, data item '_journal_page_first' is absent.
< scripts/cif2cod: tests/cases/cif2cod_031.inp data_C5H17AlN2O8P2: WARNING, no Hall space group symbol found.
< file a siga b sigb c sigc alpha sigalpha beta sigbeta gamma siggamma vol sigvol celltemp sigcelltemp diffrtemp sigdiffrtemp cellpressure sigcellpressure diffrpressure sigdiffrpressure thermalhist pressurehist compoundsource nel sg sgHall commonname chemname mineral formula calcformula cellformula Z Zprime acce_code authors title journal year volume issue firstpage lastpage doi method radiation wavelength radType radSymbol Rall Robs Rref wRall wRobs wRref RFsqd RI gofall gofobs gofgt duplicateof optimal status flags text onhold
< file C5H17AlN2O8P2
< a 7.8783
< siga 0.0002
< b 10.46890
< sigb 0.0001
< c 16.0680
< sigc 0.0004
< alpha 90.00
< beta 95.1470
< sigbeta 0.001
< gamma 90.00
< vol 1319.90
< sigvol 0.05
< celltemp 296
< sigcelltemp 2
< diffrtemp 296
< sigdiffrtemp 2
< compoundsource ?
< nel 6
< sg P2~1~/n
< formula - C5 H17 Al N2 O8 P2 -
< calcformula - C5 H17 Al N2 O8 P2 -
< cellformula - C20 H68 Al4 N8 O32 P8 -
< Z 4
< authors 
< title 
< wavelength 0.71073
< radType MoKα
< Rall 0.1073
< Robs 0.0584
< wRall 0.2069
< wRref 0.1362
< gofall 1.055
< gofobs 1.080
< flags has coordinates
< text \n\n\n\n()\n
< onhold 2013-03-21
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_032.inp:   FAILED:
1,24c1,2
< file 9009872
< a 12.09
< b 8.63
< c 14.49
< alpha 90
< beta 97.5
< gamma 90
< vol 1498.905
< nel 5
< sg I 1 2/a 1
< sgHall -I 2ya
< chemname Dimethylammonium Copper Chloride
< formula - C2 H8 Cl3 Cu N -
< calcformula - C2 H8 Cl3 Cu N -
< authors Willett, Roger D.
< title Crystal structure and optical properties of (CH3)2NH2CuCl3
< journal Journal of Chemical Physics
< year 1966
< volume 44
< issue 1
< firstpage 39
< lastpage 42
< flags has coordinates
< text Willett, Roger D.\nCrystal structure and optical properties of (CH3)2NH2CuCl3\nJournal of Chemical Physics\n44(1)\n(1966)\n39-42
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_033.inp:   FAILED:
1c1,2
< "2238212";"9.051";"0.005";"13.142";"0.007";"15.321";"0.008";"69.803";"0.005";"84.566";"0.005";"76.909";"0.006";"1665.6";"1.5";"296";"2";"296";"2";NULL;NULL;NULL;NULL;NULL;NULL;"6";"P -1";"-P 1";NULL;"<i>N</i>,<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'-Hexakis(2-hydroxyethyl)butane-1,4-diaminium bis(2-sulfanylidene-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>^4^,<i>S</i>^5^)zincate";"- C22 H38 N2 O6 S10 Zn -";"- C22 H38 N2 O6 S10 Zn -";NULL;"";"";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"has coordinates,has disorder,has Fobs";"\n\n\n\n()\n"
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_034.opt:   FAILED:
1c1,2
< "2004650";"- C10 H14 Cl2 Cu N6 O2 -";"8"
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_035.opt:   FAILED:
1c1,2
< "2004650";"- C10 H14 Cl2 Cu N6 O2 -";"8";"1"
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_036.inp:   FAILED:
1c1,2
< "2014429";"6.1463";"0.0012";"6.3856";"0.0013";"6.3894";"0.0013";"92.52";"0.03";"107.65";"0.03";"108.29";"0.03";"224.19";"0.1";"293";"2";"200";"2";NULL;NULL;NULL;NULL;NULL;NULL;"3";"P -1";"-P 1";"ν-dysprosium α-β-γ-orthoborate";"ν-dysprosium borate";"- B Dy O3 -";"- B Dy O3 -";"BC1055";"Emme, Holger; Huppertz, Hubert";"High-pressure synthesis of ν-DyBO~3~";"Acta Crystallographica Section C";"2004";"60";"12";"i117";"i119";NULL;NULL;NULL;"has coordinates,has Fobs";"Emme, Holger; Huppertz, Hubert\nHigh-pressure synthesis of ν-DyBO~3~\nActa Crystallographica Section C\n60(12)\n(2004)\ni117-i119"
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_037.inp:   FAILED:
1,5c1,2
< scripts/cif2cod: tests/cases/cif2cod_037.inp(3,1): ERROR, incorrect CIF syntax:
<  _cell_length_b
<  ^
< scripts/cif2cod: tests/cases/cif2cod_037.inp: ERROR, compiler could not recover from errors, quitting now -- 1 error(s) detected.
< scripts/cif2cod: tests/cases/cif2cod_037.inp: ERROR, 2 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested.
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_038.inp:   FAILED:
1,33c1,2
< file a siga b sigb c sigc alpha sigalpha beta sigbeta gamma siggamma vol sigvol celltemp sigcelltemp diffrtemp sigdiffrtemp cellpressure sigcellpressure diffrpressure sigdiffrpressure thermalhist pressurehist compoundsource nel sg sgHall commonname chemname mineral formula calcformula cellformula Z Zprime acce_code authors title journal year volume issue firstpage lastpage doi method radiation wavelength radType radSymbol Rall Robs Rref wRall wRobs wRref RFsqd RI gofall gofobs gofgt duplicateof optimal status flags text onhold
< file 1100117
< a 7.8713
< siga 0.0003
< b 5.4739
< sigb 0.0004
< c 20.898
< sigc 0.002
< alpha 90
< beta 112.422
< sigbeta 0.003
< gamma 90
< vol 832.354
< nel 5
< sg P 1 21 1
< sgHall P 2yb
< chemname catena-(1,12-Dodecanediammonium (μ~2~-fluoro)-tetrafluoro-aluminium)
< formula - C12 H30 Al F5 N2 -
< calcformula - C12 Al F5 N2 -
< cellformula - C24 Al2 F10 N4 -
< Z 2
< Zprime 1
< authors E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve
< title Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds
< journal Solid State Sciences
< year 2002
< volume 4
< firstpage 1213
< lastpage 1219
< doi 10.1016/S1293-2558(02)01384-5
< method powder diffraction
< flags has coordinates
< text E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve\nStructural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds\nSolid State Sciences\n4\n(2002)\n1213-1219
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_039.inp:   FAILED:
1,80c1,2
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_none: WARNING, data item '_chemical_formula_sum' is absent.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_none: WARNING, data item '_publ_section_title' is absent.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_none: WARNING, data item '_journal_name_full' is absent.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_none: WARNING, data item '_journal_year' is absent.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_none: WARNING, data item '_journal_volume' is absent.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_none: WARNING, data item '_journal_page_first' is absent.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_none: WARNING, no space group information found.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_none: WARNING, no Hall space group symbol found.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_none: WARNING, at least one of the lattice parameters has an undefined value -- cell volume could not be calculated.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_none: WARNING, summary formula could not be calculated -- cell length data item '_cell_length_a' not present.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_none: WARNING, unit cell summary formula could not be calculated -- cell length data item '_cell_length_a' not present.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_single: WARNING, data item '_chemical_formula_sum' is absent.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_single: WARNING, data item '_publ_section_title' is absent.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_single: WARNING, data item '_journal_name_full' is absent.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_single: WARNING, data item '_journal_year' is absent.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_single: WARNING, data item '_journal_volume' is absent.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_single: WARNING, data item '_journal_page_first' is absent.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_single: WARNING, no space group information found.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_single: WARNING, no Hall space group symbol found.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_single: WARNING, at least one of the lattice parameters has an undefined value -- cell volume could not be calculated.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_single: WARNING, summary formula could not be calculated -- cell length data item '_cell_length_a' not present.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_single: WARNING, unit cell summary formula could not be calculated -- cell length data item '_cell_length_a' not present.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_powder: WARNING, data item '_chemical_formula_sum' is absent.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_powder: WARNING, data item '_publ_section_title' is absent.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_powder: WARNING, data item '_journal_name_full' is absent.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_powder: WARNING, data item '_journal_year' is absent.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_powder: WARNING, data item '_journal_volume' is absent.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_powder: WARNING, data item '_journal_page_first' is absent.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_powder: WARNING, no space group information found.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_powder: WARNING, no Hall space group symbol found.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_powder: WARNING, at least one of the lattice parameters has an undefined value -- cell volume could not be calculated.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_powder: WARNING, summary formula could not be calculated -- cell length data item '_cell_length_a' not present.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_powder: WARNING, unit cell summary formula could not be calculated -- cell length data item '_cell_length_a' not present.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_theoretical: WARNING, data item '_chemical_formula_sum' is absent.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_theoretical: WARNING, data item '_publ_section_title' is absent.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_theoretical: WARNING, data item '_journal_name_full' is absent.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_theoretical: WARNING, data item '_journal_year' is absent.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_theoretical: WARNING, data item '_journal_volume' is absent.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_theoretical: WARNING, data item '_journal_page_first' is absent.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_theoretical: WARNING, no space group information found.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_theoretical: WARNING, no Hall space group symbol found.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_theoretical: WARNING, at least one of the lattice parameters has an undefined value -- cell volume could not be calculated.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_theoretical: WARNING, summary formula could not be calculated -- cell length data item '_cell_length_a' not present.
< scripts/cif2cod: tests/cases/cif2cod_039.inp data_theoretical: WARNING, unit cell summary formula could not be calculated -- cell length data item '_cell_length_a' not present.
< file a siga b sigb c sigc alpha sigalpha beta sigbeta gamma siggamma vol sigvol celltemp sigcelltemp diffrtemp sigdiffrtemp cellpressure sigcellpressure diffrpressure sigdiffrpressure thermalhist pressurehist compoundsource nel sg sgHall commonname chemname mineral formula calcformula cellformula Z Zprime acce_code authors title journal year volume issue firstpage lastpage doi method radiation wavelength radType radSymbol Rall Robs Rref wRall wRobs wRref RFsqd RI gofall gofobs gofgt duplicateof optimal status flags text onhold
< file none
< nel 0
< formula ?
< authors 
< title 
< method ?
< flags 
< text \n\n\n\n()\n
< 
< file single
< nel 0
< formula ?
< authors 
< title 
< method single crystal
< flags 
< text \n\n\n\n()\n
< 
< file powder
< nel 0
< formula ?
< authors 
< title 
< method powder diffraction
< flags 
< text \n\n\n\n()\n
< 
< file theoretical
< nel 0
< formula ?
< authors 
< title 
< method theoretical
< flags 
< text \n\n\n\n()\n
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_040.inp:   FAILED:
1c1,2
< "placeholder_cif-markup";"1";NULL;"1";NULL;"1";NULL;"90";NULL;"90";NULL;"90";NULL;"1.00";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"1";"P 1";"P 1";NULL;NULL;"- H -";"- H -";NULL;"";"2 × 2 is 4";"The 2 × 2 Journal";"1";"1";NULL;"1";NULL;NULL;NULL;NULL;"has coordinates";"\n2 × 2 is 4\nThe 2 × 2 Journal\n1\n(1)\n1"
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_041.inp:   FAILED:
1c1,2
< "4503694";"11.882";"0.005";"17.024";"0.007";"13.724";"0.006";"90.00";NULL;"93.978";"0.008";"90.00";NULL;"2769";"2";"123";"2";"123";"2";NULL;NULL;NULL;NULL;NULL;NULL;"5";"P 1 21 1";"P 2yb";NULL;NULL;"- C36 H82 N8 O29 P6 -";"- C36 H82 N8 O29 P6 -";NULL;"Li, Yu; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu";"Anion Dependent Water Clusters Encapsulated Inside a Cryptand Cavity";"Crystal Growth & Design";"2008";"8";"10";"3689";NULL;NULL;NULL;NULL;"has coordinates,has disorder";"Li, Yu; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu\nAnion Dependent Water Clusters Encapsulated Inside a Cryptand Cavity\nCrystal Growth & Design\n8(10)\n(2008)\n3689"
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_042.inp:   FAILED:
1c1,2
< "2209560";"7.436";"0.003";"12.498";"0.004";"25.382";"0.008";"90.00";NULL;"95.702";"0.006";"90.00";NULL;"2347.3";"1.4";"298";"2";"298";"2";NULL;NULL;NULL;NULL;NULL;NULL;"6";"P 1 21/c 1";"-P 2ybc";NULL;"Bis[3,3'-dimethyl-3,3'-methylenebis(2,3-dihydro-1H- imidazole)]disilver(I)(Ag—Ag) dichloride hemihydrate";"- C18 H25 Ag2 Cl2 N8 O0.5 -";"- C18 H25 Ag2 Cl2 N8 O0.5 -";"IS2045";"Da-Qi Wang";"Bis[3,3'-dimethyl-3,3'-methylenebis(2,3-dihydro-1<i>H</i>-imidazole)]disilver(I)(Ag—Ag) dichloride hemihydrate";"Acta Crystallographica, Section E";"2006";"62";"7";"m1565";"m1566";NULL;NULL;NULL;"has coordinates";"Da-Qi Wang\nBis[3,3'-dimethyl-3,3'-methylenebis(2,3-dihydro-1<i>H</i>-imidazole)]disilver(I)(Ag—Ag) dichloride hemihydrate\nActa Crystallographica, Section E\n62(7)\n(2006)\nm1565-m1566"
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_043.inp:   FAILED:
1,9c1,2
< scripts/cif2cod: tests/cases/cif2cod_043.inp data_3500042: WARNING, data item '_journal_volume' is absent.
< scripts/cif2cod: tests/cases/cif2cod_043.inp data_3500042: WARNING, data item '_journal_page_first' is absent.
< file 3500042
< commonname 
< chemname Tris(phenanthroline)zinc dimethylazaxanthinate heptahydrate
< authors Maldonado, Carmen R.; Quirós, Miguel; Salas, Juan M.
< title Tris(phenanthroline)zinc dimethylazaxanthinate heptahydrate
< journal Personal communication to COD
< pagefirst 
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_044.inp:   FAILED:
1,70c1,2
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_non_numeric: WARNING, data item '_chemical_formula_sum' is absent.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_non_numeric: WARNING, data item '_publ_section_title' is absent.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_non_numeric: WARNING, data item '_journal_name_full' is absent.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_non_numeric: WARNING, data item '_journal_year' is absent.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_non_numeric: WARNING, data item '_journal_volume' is absent.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_non_numeric: WARNING, data item '_journal_page_first' is absent.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_non_numeric: WARNING, no space group information found.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_non_numeric: WARNING, no Hall space group symbol found.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_non_numeric: WARNING, at least one of the lattice parameters has an undefined value -- cell volume could not be calculated.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_non_numeric: WARNING, summary formula could not be calculated -- cell length data item '_cell_length_c' not present.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_non_numeric: WARNING, unit cell summary formula could not be calculated -- cell length data item '_cell_length_c' not present.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_non_numeric: WARNING, value of 'Robs' ('small') does not seem to be numeric at <script_name> line <line_no>.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_non_numeric: WARNING, value of 'Z' ('none') does not seem to be numeric at <script_name> line <line_no>.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_non_numeric: WARNING, value of 'a' ('not measured') does not seem to be numeric at <script_name> line <line_no>.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_non_numeric: WARNING, value of 'duplicateof' ('none found') does not seem to be numeric at <script_name> line <line_no>.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_non_numeric: WARNING, value of 'file' ('non_numeric') does not seem to be numeric at <script_name> line <line_no>.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_non_numeric: WARNING, value of 'wavelength' ('time-of-flight') does not seem to be numeric at <script_name> line <line_no>.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_signed: WARNING, data item '_chemical_formula_sum' is absent.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_signed: WARNING, data item '_publ_section_title' is absent.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_signed: WARNING, data item '_journal_name_full' is absent.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_signed: WARNING, data item '_journal_year' is absent.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_signed: WARNING, data item '_journal_volume' is absent.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_signed: WARNING, data item '_journal_page_first' is absent.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_signed: WARNING, no space group information found.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_signed: WARNING, no Hall space group symbol found.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_signed: WARNING, at least one of the lattice parameters has an undefined value -- cell volume could not be calculated.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_signed: WARNING, summary formula could not be calculated -- cell length data item '_cell_length_b' not present.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_signed: WARNING, unit cell summary formula could not be calculated -- cell length data item '_cell_length_b' not present.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_signed: WARNING, value of 'Z' ('-2') is negative, while it must be unsigned at <script_name> line <line_no>.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_signed: WARNING, value of 'a' ('-5') is negative, while it must be unsigned at <script_name> line <line_no>.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_signed: WARNING, value of 'duplicateof' ('-1') is negative, while it must be unsigned at <script_name> line <line_no>.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_signed: WARNING, value of 'file' ('signed') does not seem to be numeric at <script_name> line <line_no>.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_signed: WARNING, value of 'wavelength' ('-5000') is negative, while it must be unsigned at <script_name> line <line_no>.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_overflow: WARNING, data item '_chemical_formula_sum' is absent.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_overflow: WARNING, data item '_publ_section_title' is absent.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_overflow: WARNING, data item '_journal_name_full' is absent.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_overflow: WARNING, data item '_journal_year' is absent.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_overflow: WARNING, data item '_journal_volume' is absent.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_overflow: WARNING, data item '_journal_page_first' is absent.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_overflow: WARNING, no space group information found.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_overflow: WARNING, no Hall space group symbol found.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_overflow: WARNING, at least one of the lattice parameters has an undefined value -- cell volume could not be calculated.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_overflow: WARNING, summary formula could not be calculated -- cell length data item '_cell_length_a' not present.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_overflow: WARNING, unit cell summary formula could not be calculated -- cell length data item '_cell_length_a' not present.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_overflow: WARNING, value of 'acce_code' ('A VERY LONG CODE') is longer than allowed (16 > 6) and may be corrupted upon casting at <script_name> line <line_no>.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_overflow: WARNING, value of 'file' ('overflow') does not seem to be numeric at <script_name> line <line_no>.
< scripts/cif2cod: tests/cases/cif2cod_044.inp data_overflow: WARNING, value of 'issue' ('a value clearly too long') is longer than allowed (24 > 10) and may be corrupted upon casting at <script_name> line <line_no>.
< b 3
< nel 0
< formula ?
< authors 
< title 
< flags 
< text \n\n\n\n()\n
< 
< nel 0
< formula ?
< authors 
< title 
< flags 
< text \n\n\n\n()\n
< 
< nel 0
< formula ?
< acce_code A VERY LONG CODE
< authors 
< title 
< issue a value clearly too long
< flags 
< text \n\n\n(issue a value clearly too long)\n()\n
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_045.inp:   FAILED:
1,47c1,2
< scripts/cif2cod: doc/CODDictionary.xml: WARNING, XML document is not derived from codsql.xsd.
< scripts/cif2cod: tests/cases/cif2cod_045.inp data_global: WARNING, data item '_chemical_formula_sum' is absent.
< scripts/cif2cod: tests/cases/cif2cod_045.inp data_global: WARNING, no space group information found.
< scripts/cif2cod: tests/cases/cif2cod_045.inp data_global: WARNING, no Hall space group symbol found.
< scripts/cif2cod: tests/cases/cif2cod_045.inp data_global: WARNING, at least one of the lattice parameters has an undefined value -- cell volume could not be calculated.
< scripts/cif2cod: tests/cases/cif2cod_045.inp data_global: WARNING, summary formula could not be calculated -- cell length data item '_cell_length_a' not present.
< scripts/cif2cod: tests/cases/cif2cod_045.inp data_global: WARNING, unit cell summary formula could not be calculated -- cell length data item '_cell_length_a' not present.
< scripts/cif2cod: tests/cases/cif2cod_045.inp data_C5H17AlN2O8P2: WARNING, data item '_publ_section_title' is absent.
< scripts/cif2cod: tests/cases/cif2cod_045.inp data_C5H17AlN2O8P2: WARNING, data item '_journal_name_full' is absent.
< scripts/cif2cod: tests/cases/cif2cod_045.inp data_C5H17AlN2O8P2: WARNING, data item '_journal_year' is absent.
< scripts/cif2cod: tests/cases/cif2cod_045.inp data_C5H17AlN2O8P2: WARNING, data item '_journal_volume' is absent.
< scripts/cif2cod: tests/cases/cif2cod_045.inp data_C5H17AlN2O8P2: WARNING, data item '_journal_page_first' is absent.
< scripts/cif2cod: tests/cases/cif2cod_045.inp data_C5H17AlN2O8P2: WARNING, no Hall space group symbol found.
< file global
< nel 0
< formula ?
< acce_code ?
< authors S. PHAN THANH; J. MARROT; J. RENAUDIN; V. MAISONNEUVE
< title [H~3~N(CH~2~)~5~NH~3~].AlP~2~O~8~H, a One-Dimensional Aluminophosphate
< flags 
< text S. PHAN THANH; J. MARROT; J. RENAUDIN; V. MAISONNEUVE\n[H~3~N(CH~2~)~5~NH~3~].AlP~2~O~8~H, a One-Dimensional Aluminophosphate\n\n\n()\n
< 
< file C5H17AlN2O8P2
< a 7.8783
< siga 0.0002
< b 10.46890
< sigb 0.0001
< c 16.0680
< sigc 0.0004
< alpha 90.00
< beta 95.1470
< sigbeta 0.001
< gamma 90.00
< vol 1319.90
< sigvol 0.05
< celltemp 296
< sigcelltemp 2
< diffrtemp 296
< sigdiffrtemp 2
< nel 6
< sg P2~1~/n
< formula - C5 H17 Al N2 O8 P2 -
< calcformula - C5 H17 Al N2 O8 P2 -
< authors 
< title 
< flags has coordinates
< text \n\n\n\n()\n
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_046.inp:   FAILED:
1,18c1,2
< scripts/cif2cod: tests/cases/cif2cod_046.inp data_whitespace_name: WARNING, data item '_chemical_formula_sum' is absent.
< scripts/cif2cod: tests/cases/cif2cod_046.inp data_whitespace_name: WARNING, data item '_publ_section_title' is absent.
< scripts/cif2cod: tests/cases/cif2cod_046.inp data_whitespace_name: WARNING, data item '_journal_name_full' is absent.
< scripts/cif2cod: tests/cases/cif2cod_046.inp data_whitespace_name: WARNING, data item '_journal_year' is absent.
< scripts/cif2cod: tests/cases/cif2cod_046.inp data_whitespace_name: WARNING, data item '_journal_volume' is absent.
< scripts/cif2cod: tests/cases/cif2cod_046.inp data_whitespace_name: WARNING, data item '_journal_page_first' is absent.
< scripts/cif2cod: tests/cases/cif2cod_046.inp data_whitespace_name: WARNING, no space group information found.
< scripts/cif2cod: tests/cases/cif2cod_046.inp data_whitespace_name: WARNING, no Hall space group symbol found.
< scripts/cif2cod: tests/cases/cif2cod_046.inp data_whitespace_name: WARNING, at least one of the lattice parameters has an undefined value -- cell volume could not be calculated.
< scripts/cif2cod: tests/cases/cif2cod_046.inp data_whitespace_name: WARNING, summary formula could not be calculated -- cell length data item '_cell_length_a' not present.
< scripts/cif2cod: tests/cases/cif2cod_046.inp data_whitespace_name: WARNING, unit cell summary formula could not be calculated -- cell length data item '_cell_length_a' not present.
< file whitespace_name
< nel 0
< formula ?
< authors 
< title 
< flags 
< text \n\n\n\n()\n
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_047.opt:   FAILED:
1c1,2
< column1;column2;column3
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2cod_048.inp:   FAILED:
1,38c1,2
< scripts/cif2cod: tests/cases/cif2cod_048.inp data_pirmasis_duomenų_blokas: WARNING, data item '_chemical_formula_sum' is absent.
< scripts/cif2cod: tests/cases/cif2cod_048.inp data_pirmasis_duomenų_blokas: WARNING, data item '_publ_section_title' is absent.
< scripts/cif2cod: tests/cases/cif2cod_048.inp data_pirmasis_duomenų_blokas: WARNING, data item '_journal_year' is absent.
< scripts/cif2cod: tests/cases/cif2cod_048.inp data_pirmasis_duomenų_blokas: WARNING, data item '_journal_volume' is absent.
< scripts/cif2cod: tests/cases/cif2cod_048.inp data_pirmasis_duomenų_blokas: WARNING, data item '_journal_page_first' is absent.
< scripts/cif2cod: tests/cases/cif2cod_048.inp data_pirmasis_duomenų_blokas: WARNING, no space group information found.
< scripts/cif2cod: tests/cases/cif2cod_048.inp data_pirmasis_duomenų_blokas: WARNING, no Hall space group symbol found.
< scripts/cif2cod: tests/cases/cif2cod_048.inp data_pirmasis_duomenų_blokas: WARNING, at least one of the lattice parameters has an undefined value -- cell volume could not be calculated.
< scripts/cif2cod: tests/cases/cif2cod_048.inp data_pirmasis_duomenų_blokas: WARNING, summary formula could not be calculated -- cell length data item '_cell_length_a' not present.
< scripts/cif2cod: tests/cases/cif2cod_048.inp data_pirmasis_duomenų_blokas: WARNING, unit cell summary formula could not be calculated -- cell length data item '_cell_length_a' not present.
< scripts/cif2cod: tests/cases/cif2cod_048.inp data_antrasis_duomenų_blokas: WARNING, data item '_chemical_formula_sum' is absent.
< scripts/cif2cod: tests/cases/cif2cod_048.inp data_antrasis_duomenų_blokas: WARNING, data item '_publ_section_title' is absent.
< scripts/cif2cod: tests/cases/cif2cod_048.inp data_antrasis_duomenų_blokas: WARNING, data item '_journal_year' is absent.
< scripts/cif2cod: tests/cases/cif2cod_048.inp data_antrasis_duomenų_blokas: WARNING, data item '_journal_volume' is absent.
< scripts/cif2cod: tests/cases/cif2cod_048.inp data_antrasis_duomenų_blokas: WARNING, data item '_journal_page_first' is absent.
< scripts/cif2cod: tests/cases/cif2cod_048.inp data_antrasis_duomenų_blokas: WARNING, no space group information found.
< scripts/cif2cod: tests/cases/cif2cod_048.inp data_antrasis_duomenų_blokas: WARNING, no Hall space group symbol found.
< scripts/cif2cod: tests/cases/cif2cod_048.inp data_antrasis_duomenų_blokas: WARNING, at least one of the lattice parameters has an undefined value -- cell volume could not be calculated.
< scripts/cif2cod: tests/cases/cif2cod_048.inp data_antrasis_duomenų_blokas: WARNING, summary formula could not be calculated -- cell length data item '_cell_length_a' not present.
< scripts/cif2cod: tests/cases/cif2cod_048.inp data_antrasis_duomenų_blokas: WARNING, unit cell summary formula could not be calculated -- cell length data item '_cell_length_a' not present.
< file a siga b sigb c sigc alpha sigalpha beta sigbeta gamma siggamma vol sigvol celltemp sigcelltemp diffrtemp sigdiffrtemp cellpressure sigcellpressure diffrpressure sigdiffrpressure thermalhist pressurehist compoundsource nel sg sgHall commonname chemname mineral formula calcformula cellformula Z Zprime acce_code authors title journal year volume issue firstpage lastpage doi method radiation wavelength radType radSymbol Rall Robs Rref wRall wRobs wRref RFsqd RI gofall gofobs gofgt duplicateof optimal status flags text onhold
< file pirmasis_duomenų_blokas
< nel 0
< formula ?
< authors 
< title 
< journal Sąžininga
< flags 
< text \n\nSąžininga\n\n()\n
< 
< file antrasis_duomenų_blokas
< nel 0
< formula ?
< authors 
< title 
< journal Žąsis
< flags 
< text \n\nŽąsis\n\n()\n
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif2csv_001.inp:   OK
tests/cases/cif2csv_002.inp:   OK
tests/cases/cif2json_001.inp:  OK
tests/cases/cif2json_002.inp:  OK
tests/cases/cif2rdf_001.inp:   OK
tests/cases/cif2rdf_002.inp:   OK
tests/cases/cif2rdf_003.inp:   OK
tests/cases/cif2rdf_004.inp:   OK
tests/cases/cif2rdf_005.opt:   OK
tests/cases/cif2rdf_006.inp:   OK
tests/cases/cif2rdf_007.opt:   OK
tests/cases/cif2rdf_008.opt:   OK
tests/cases/cif2rdf_009.opt:   OK
tests/cases/cif2rdf_010.opt:   OK
tests/cases/cif2ref_001.inp:   OK
tests/cases/cif2ref_002.inp:   OK
tests/cases/cif2ref_003.inp:   OK
tests/cases/cif2ref_004.inp:   OK
tests/cases/cif2ref_005.inp:   OK
tests/cases/cif2ref_006.inp:   OK
tests/cases/cif2ref_007.inp:   OK
tests/cases/cif2ref_008.inp:   OK
tests/cases/cif2ref_009.inp:   OK
tests/cases/cif2ref_010.inp:   OK
tests/cases/cif2ref_011.inp:   OK
tests/cases/cif2xyz_001.inp:   OK
tests/cases/cif2xyz_002.inp:   OK
tests/cases/cif_Fcalc_001.inp: OK
tests/cases/cif_Fcalc_002.inp: OK
tests/cases/cif_Fcalc_003.inp: OK
tests/cases/cif_Fcalc_004.inp: OK
tests/cases/cif_Fcalc_005.inp: OK
tests/cases/cif_Fcalc_006.inp: OK
tests/cases/cif_Fcalc_007.inp: OK
tests/cases/cif_Fcalc_008.inp: OK
tests/cases/cif_Fcalc_009.inp: OK
tests/cases/cif_Fcalc_010.inp: OK
tests/cases/cif_adjust_journal_name_volume_001.inp: OK
tests/cases/cif_bounding_box_001.inp: OK
tests/cases/cif_bounding_box_002.inp: OK
tests/cases/cif_cell_contents_001.inp: OK
tests/cases/cif_cell_contents_002.inp: OK
tests/cases/cif_cell_contents_003.inp: OK
tests/cases/cif_cell_contents_004.inp: OK
tests/cases/cif_cell_contents_005.inp: OK
tests/cases/cif_cell_contents_006.inp: OK
tests/cases/cif_cell_contents_007.inp: OK
tests/cases/cif_cell_contents_008.inp: OK
tests/cases/cif_cell_contents_009.inp: OK
tests/cases/cif_cell_contents_010.inp: OK
tests/cases/cif_cell_contents_011.opt: OK
tests/cases/cif_cell_contents_012.inp: OK
tests/cases/cif_cell_contents_013.inp: OK
tests/cases/cif_cell_contents_014.inp: OK
tests/cases/cif_cell_contents_015.inp: OK
tests/cases/cif_cell_contents_016.inp: OK
tests/cases/cif_cell_contents_017.inp: OK
tests/cases/cif_cell_contents_018.inp: OK
tests/cases/cif_cell_contents_019.inp: OK
tests/cases/cif_cell_contents_020.inp: OK
tests/cases/cif_cell_contents_021.inp: OK
tests/cases/cif_cell_contents_022.inp: OK
tests/cases/cif_cell_contents_023.inp: OK
tests/cases/cif_cell_contents_024.opt: OK
tests/cases/cif_cell_contents_025.opt: OK
tests/cases/cif_classify_001.inp: OK
tests/cases/cif_classify_002.inp: OK
tests/cases/cif_classify_003.inp: OK
tests/cases/cif_classify_004.inp: OK
tests/cases/cif_classify_005.inp: OK
tests/cases/cif_classify_006.inp: OK
tests/cases/cif_classify_007.inp: OK
tests/cases/cif_classify_008.inp: OK
tests/cases/cif_classify_009.inp: OK
tests/cases/cif_cod_check_001.inp: OK
tests/cases/cif_cod_check_002.inp: OK
tests/cases/cif_cod_check_003.inp: OK
tests/cases/cif_cod_check_004.inp: OK
tests/cases/cif_cod_check_005.inp: OK
tests/cases/cif_cod_check_006.inp: OK
tests/cases/cif_cod_check_007.inp: OK
tests/cases/cif_cod_check_008.inp: OK
tests/cases/cif_cod_check_009.inp: OK
tests/cases/cif_cod_check_010.inp: OK
tests/cases/cif_cod_check_011.inp: OK
tests/cases/cif_cod_check_012.inp: OK
tests/cases/cif_cod_check_013.inp: OK
tests/cases/cif_cod_check_014.inp: OK
tests/cases/cif_cod_check_015.inp: OK
tests/cases/cif_cod_check_016.inp: OK
tests/cases/cif_cod_check_017.inp: OK
tests/cases/cif_cod_check_018.inp: OK
tests/cases/cif_cod_check_019.inp: OK
tests/cases/cif_cod_check_020.inp: OK
tests/cases/cif_cod_check_021.inp: OK
tests/cases/cif_cod_check_022.inp: OK
tests/cases/cif_cod_check_023.inp: OK
tests/cases/cif_cod_check_024.inp: OK
tests/cases/cif_cod_check_025.inp: OK
tests/cases/cif_cod_check_026.inp: OK
tests/cases/cif_cod_check_027.inp: OK
tests/cases/cif_cod_check_028.inp: OK
tests/cases/cif_cod_check_029.inp: OK
tests/cases/cif_cod_check_030.inp: OK
tests/cases/cif_cod_check_031.inp: OK
tests/cases/cif_cod_check_032.inp: OK
tests/cases/cif_cod_check_033.inp: OK
tests/cases/cif_cod_check_034.inp: OK
tests/cases/cif_cod_check_035.inp: OK
tests/cases/cif_cod_check_036.inp: OK
tests/cases/cif_cod_check_037.inp: OK
tests/cases/cif_cod_check_038.inp: OK
tests/cases/cif_cod_check_039.inp: OK
tests/cases/cif_cod_check_040.inp: OK
tests/cases/cif_cod_check_041.inp: OK
tests/cases/cif_cod_check_042.inp: OK
tests/cases/cif_cod_check_043.inp: OK
tests/cases/cif_cod_check_044.inp: OK
tests/cases/cif_cod_check_045.inp: OK
tests/cases/cif_cod_check_046.inp: OK
tests/cases/cif_cod_check_047.inp: OK
tests/cases/cif_cod_check_048.inp: OK
tests/cases/cif_cod_check_049.inp: OK
tests/cases/cif_cod_check_050.inp: OK
tests/cases/cif_cod_check_051.inp: OK
tests/cases/cif_cod_check_052.inp: OK
tests/cases/cif_cod_check_053.inp: OK
tests/cases/cif_cod_check_054.inp: OK
tests/cases/cif_cod_check_055.inp: OK
tests/cases/cif_cod_check_056.inp: OK
tests/cases/cif_cod_check_057.inp: OK
tests/cases/cif_cod_check_058.inp: OK
tests/cases/cif_cod_check_059.inp: OK
tests/cases/cif_cod_check_060.inp: OK
tests/cases/cif_cod_check_061.inp: OK
tests/cases/cif_cod_check_062.inp: OK
tests/cases/cif_cod_check_063.inp: OK
tests/cases/cif_cod_check_064.inp: OK
tests/cases/cif_cod_check_065.inp: OK
tests/cases/cif_cod_check_066.inp: OK
tests/cases/cif_cod_check_067.inp: OK
tests/cases/cif_cod_check_068.inp: OK
tests/cases/cif_cod_check_069.inp: OK
tests/cases/cif_cod_check_070.inp: OK
tests/cases/cif_cod_check_071.inp: OK
tests/cases/cif_cod_check_072.inp: OK
tests/cases/cif_cod_check_073.inp: OK
tests/cases/cif_cod_check_074.inp: OK
tests/cases/cif_cod_check_075.inp: OK
tests/cases/cif_cod_check_076.inp: OK
tests/cases/cif_cod_check_077.inp: OK
tests/cases/cif_cod_check_078.inp: OK
tests/cases/cif_cod_check_079.inp: OK
tests/cases/cif_cod_check_080.inp: OK
tests/cases/cif_cod_check_081.inp: OK
tests/cases/cif_cod_check_082.inp: OK
tests/cases/cif_cod_check_083.inp: OK
tests/cases/cif_cod_check_084.inp: OK
tests/cases/cif_cod_check_085.inp: OK
tests/cases/cif_cod_check_086.inp: OK
tests/cases/cif_cod_check_087.inp: OK
tests/cases/cif_cod_check_088.inp: OK
tests/cases/cif_cod_check_089.inp: OK
tests/cases/cif_cod_check_090.inp: OK
tests/cases/cif_cod_check_091.inp: OK
tests/cases/cif_cod_check_092.inp: OK
tests/cases/cif_cod_check_093.inp: OK
tests/cases/cif_cod_check_094.inp: OK
tests/cases/cif_cod_check_095.inp: OK
tests/cases/cif_cod_check_096.inp: OK
tests/cases/cif_cod_check_097.inp: OK
tests/cases/cif_cod_check_098.inp: OK
tests/cases/cif_cod_check_099.inp: OK
tests/cases/cif_cod_check_100.inp: OK
tests/cases/cif_cod_check_101.inp: OK
tests/cases/cif_cod_check_102.inp: OK
tests/cases/cif_cod_check_103.inp: OK
tests/cases/cif_cod_check_104.inp: OK
tests/cases/cif_cod_check_105.inp: OK
tests/cases/cif_cod_check_106.inp: OK
tests/cases/cif_cod_check_107.inp: OK
tests/cases/cif_cod_check_108.inp: OK
tests/cases/cif_cod_check_109.inp: OK
tests/cases/cif_cod_check_110.inp: OK
tests/cases/cif_cod_check_111.inp: OK
tests/cases/cif_cod_check_112.inp: OK
tests/cases/cif_cod_check_113.inp: OK
tests/cases/cif_cod_check_114.inp: OK
tests/cases/cif_cod_check_115.inp: OK
tests/cases/cif_cod_numbers_001.opt: Test skipped - not running tests requiring network access
tests/cases/cif_cod_numbers_002.opt: Test skipped - not running tests requiring network access
tests/cases/cif_cod_numbers_003.opt: Test skipped - not running tests requiring network access
tests/cases/cif_cod_numbers_004.opt: Test skipped - not running tests requiring network access
tests/cases/cif_cod_numbers_005.opt: Test skipped - not running tests requiring network access
tests/cases/cif_cod_numbers_006.opt: Test skipped - not running tests requiring network access
tests/cases/cif_cod_numbers_007.opt: Test skipped - not running tests requiring network access
tests/cases/cif_cod_numbers_008.opt: OK
tests/cases/cif_cod_numbers_009.inp: Test skipped - not running tests requiring network access
tests/cases/cif_cod_numbers_010.inp: Test skipped - not running tests requiring network access
tests/cases/cif_cod_numbers_011.inp: Test skipped - not running tests requiring network access
tests/cases/cif_cod_numbers_012.inp: Test skipped - not running tests requiring network access
tests/cases/cif_cod_numbers_013.inp: Test skipped - not running tests requiring network access
tests/cases/cif_cod_numbers_014.inp: Test skipped - not running tests requiring network access
tests/cases/cif_cod_numbers_015.opt: Test skipped - not running tests requiring network access
tests/cases/cif_cod_numbers_016.inp: Test skipped - not running tests requiring network access
tests/cases/cif_cod_numbers_017.opt: Test skipped - not running tests requiring network access
tests/cases/cif_cod_numbers_018.inp: Test skipped - not running tests requiring network access
tests/cases/cif_cod_numbers_019.inp: Test skipped - not running tests requiring network access
tests/cases/cif_cod_numbers_020.opt: OK
tests/cases/cif_cod_numbers_021.opt: OK
tests/cases/cif_correct_tags_001.inp: OK
tests/cases/cif_correct_tags_002.inp: OK
tests/cases/cif_correct_tags_003.inp: OK
tests/cases/cif_correct_tags_004.inp: OK
tests/cases/cif_correct_tags_005.inp: OK
tests/cases/cif_correct_tags_006.inp: OK
tests/cases/cif_correct_tags_007.inp: OK
tests/cases/cif_correct_tags_008.inp: OK
tests/cases/cif_correct_tags_009.inp: OK
tests/cases/cif_correct_tags_010.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_001.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_002.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_003.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_004.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_005.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_006.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_007.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_008.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_009.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_010.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_011.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_012.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_013.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_014.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_015.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_016.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_017.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_018.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_019.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_020.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_021.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_022.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_023.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_024.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_025.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_026.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_027.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_028.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_029.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_030.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_031.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_032.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_033.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_034.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_035.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_036.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_037.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_038.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_039.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_040.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_041.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_042.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_043.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_044.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_045.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_046.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_047.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_048.inp: OK
tests/cases/cif_create_AMCSD_pressure_temp_tags_049.inp: OK
tests/cases/cif_dictionary_tags_001.inp: OK
tests/cases/cif_dictionary_tags_002.inp: OK
tests/cases/cif_dictionary_tags_003.inp: OK
tests/cases/cif_diff_001.opt:  OK
tests/cases/cif_diff_002.opt:  OK
tests/cases/cif_diff_003.opt:  OK
tests/cases/cif_diff_004.opt:  OK
tests/cases/cif_diff_005.opt:  OK
tests/cases/cif_diff_006.opt:  OK
tests/cases/cif_diff_007.opt:  OK
tests/cases/cif_diff_008.opt:  OK
tests/cases/cif_diff_009.opt:  OK
tests/cases/cif_diff_010.opt:  OK
tests/cases/cif_diff_011.opt:  OK
tests/cases/cif_diff_012.opt:  OK
tests/cases/cif_distances_001.inp: OK
tests/cases/cif_distances_002.inp: OK
tests/cases/cif_distances_003.inp: OK
tests/cases/cif_distances_004.inp: OK
tests/cases/cif_distances_005.inp: OK
tests/cases/cif_distances_006.inp: OK
tests/cases/cif_distances_007.inp: OK
tests/cases/cif_distances_008.inp: OK
tests/cases/cif_distances_009.inp: OK
tests/cases/cif_distances_010.inp: OK
tests/cases/cif_distances_011.inp: OK
tests/cases/cif_distances_012.inp: OK
tests/cases/cif_distances_013.inp: OK
tests/cases/cif_distances_014.inp: OK
tests/cases/cif_distances_015.inp: OK
tests/cases/cif_distances_016.inp: OK
tests/cases/cif_distances_017.inp: OK
tests/cases/cif_distances_018.inp: OK
tests/cases/cif_distances_019.inp: OK
tests/cases/cif_distances_020.inp: OK
tests/cases/cif_distances_021.inp: OK
tests/cases/cif_distances_022.inp: OK
tests/cases/cif_distances_023.inp: OK
tests/cases/cif_distances_024.inp: OK
tests/cases/cif_distances_025.inp: OK
tests/cases/cif_distances_026.inp: OK
tests/cases/cif_distances_027.inp: OK
tests/cases/cif_distances_028.inp: OK
tests/cases/cif_distances_029.inp: OK
tests/cases/cif_distances_030.inp: OK
tests/cases/cif_distances_031.inp: OK
tests/cases/cif_distances_032.inp: OK
tests/cases/cif_distances_033.inp: OK
tests/cases/cif_distances_034.inp: OK
tests/cases/cif_distances_035.inp: OK
tests/cases/cif_distances_036.inp: OK
tests/cases/cif_distances_037.inp: OK
tests/cases/cif_distances_038.inp: OK
tests/cases/cif_distances_039.inp: OK
tests/cases/cif_distances_040.inp: OK
tests/cases/cif_distances_041.inp: OK
tests/cases/cif_distances_042.inp: OK
tests/cases/cif_distances_043.inp: OK
tests/cases/cif_estimate_Z_001.inp: OK
tests/cases/cif_estimate_Z_002.inp: OK
tests/cases/cif_estimate_Z_003.inp: OK
tests/cases/cif_eval_numbers_001.inp: OK
tests/cases/cif_eval_numbers_002.inp: OK
tests/cases/cif_eval_numbers_003.inp: OK
tests/cases/cif_eval_numbers_004.inp: OK
tests/cases/cif_eval_numbers_005.inp: OK
tests/cases/cif_eval_numbers_006.inp: OK
tests/cases/cif_fillcell_001.inp: OK
tests/cases/cif_fillcell_002.inp: OK
tests/cases/cif_fillcell_003.inp: OK
tests/cases/cif_fillcell_004.inp: OK
tests/cases/cif_fillcell_005.inp: OK
tests/cases/cif_fillcell_006.inp: OK
tests/cases/cif_fillcell_007.inp: OK
tests/cases/cif_fillcell_008.inp: OK
tests/cases/cif_fillcell_009.inp: OK
tests/cases/cif_fillcell_010.inp: OK
tests/cases/cif_fillcell_011.inp: OK
tests/cases/cif_fillcell_012.inp: OK
tests/cases/cif_fillcell_013.inp: OK
tests/cases/cif_filter_001.inp: OK
tests/cases/cif_filter_002.inp: OK
tests/cases/cif_filter_003.inp: OK
tests/cases/cif_filter_004.inp: OK
tests/cases/cif_filter_005.inp: OK
tests/cases/cif_filter_006.inp: OK
tests/cases/cif_filter_007.inp: OK
tests/cases/cif_filter_008.inp: OK
tests/cases/cif_filter_009.inp: OK
tests/cases/cif_filter_010.inp: OK
tests/cases/cif_filter_011.inp: OK
tests/cases/cif_filter_012.inp: OK
tests/cases/cif_filter_013.inp: OK
tests/cases/cif_filter_014.inp: OK
tests/cases/cif_filter_015.inp: OK
tests/cases/cif_filter_016.inp: OK
tests/cases/cif_filter_017.inp: OK
tests/cases/cif_filter_018.inp: OK
tests/cases/cif_filter_019.inp: OK
tests/cases/cif_filter_020.inp: OK
tests/cases/cif_filter_021.inp: OK
tests/cases/cif_filter_022.inp: OK
tests/cases/cif_filter_023.inp: OK
tests/cases/cif_filter_024.inp: OK
tests/cases/cif_filter_025.inp: OK
tests/cases/cif_filter_026.inp: OK
tests/cases/cif_filter_027.inp: OK
tests/cases/cif_filter_028.inp: OK
tests/cases/cif_filter_029.inp: OK
tests/cases/cif_filter_030.inp: OK
tests/cases/cif_filter_031.inp: OK
tests/cases/cif_filter_032.inp: OK
tests/cases/cif_filter_033.inp: OK
tests/cases/cif_filter_034.inp: OK
tests/cases/cif_filter_035.inp: OK
tests/cases/cif_filter_036.inp: OK
tests/cases/cif_filter_037.inp: OK
tests/cases/cif_filter_038.inp: OK
tests/cases/cif_filter_039.inp: OK
tests/cases/cif_filter_040.inp: OK
tests/cases/cif_filter_041.inp: OK
tests/cases/cif_filter_042.inp: OK
tests/cases/cif_filter_043.inp: OK
tests/cases/cif_filter_044.inp: OK
tests/cases/cif_filter_045.inp: OK
tests/cases/cif_filter_046.inp: OK
tests/cases/cif_filter_047.inp: OK
tests/cases/cif_filter_048.inp: OK
tests/cases/cif_filter_049.inp: OK
tests/cases/cif_filter_050.inp: OK
tests/cases/cif_filter_051.inp: OK
tests/cases/cif_filter_052.inp: OK
tests/cases/cif_filter_053.inp: OK
tests/cases/cif_filter_054.inp: OK
tests/cases/cif_filter_055.inp: OK
tests/cases/cif_filter_056.inp: OK
tests/cases/cif_filter_057.inp: OK
tests/cases/cif_filter_058.inp: OK
tests/cases/cif_filter_059.inp: OK
tests/cases/cif_filter_060.inp: OK
tests/cases/cif_filter_061.inp: OK
tests/cases/cif_filter_062.inp: OK
tests/cases/cif_filter_063.inp: OK
tests/cases/cif_filter_064.inp: OK
tests/cases/cif_filter_065.inp: OK
tests/cases/cif_filter_066.inp: OK
tests/cases/cif_filter_067.inp: OK
tests/cases/cif_filter_068.inp: OK
tests/cases/cif_filter_069.inp: OK
tests/cases/cif_filter_070.inp: OK
tests/cases/cif_filter_071.inp: OK
tests/cases/cif_filter_072.inp: OK
tests/cases/cif_filter_073.inp: OK
tests/cases/cif_filter_074.inp: OK
tests/cases/cif_filter_075.inp: OK
tests/cases/cif_filter_076.inp: OK
tests/cases/cif_filter_077.inp: OK
tests/cases/cif_filter_078.inp: OK
tests/cases/cif_filter_079.inp: OK
tests/cases/cif_filter_080.inp: OK
tests/cases/cif_filter_081.inp: OK
tests/cases/cif_filter_082.inp: OK
tests/cases/cif_filter_083.inp: OK
tests/cases/cif_filter_084.inp: OK
tests/cases/cif_filter_085.inp: OK
tests/cases/cif_filter_086.inp: OK
tests/cases/cif_filter_087.inp: OK
tests/cases/cif_filter_088.inp: OK
tests/cases/cif_filter_089.inp: OK
tests/cases/cif_filter_090.inp: OK
tests/cases/cif_filter_091.inp: OK
tests/cases/cif_filter_092.inp: OK
tests/cases/cif_filter_093.inp: OK
tests/cases/cif_filter_094.opt: OK
tests/cases/cif_filter_095.opt: OK
tests/cases/cif_filter_096.inp: OK
tests/cases/cif_filter_097.inp: OK
tests/cases/cif_filter_098.inp: OK
tests/cases/cif_filter_099.inp: OK
tests/cases/cif_filter_100.inp: OK
tests/cases/cif_filter_101.inp: OK
tests/cases/cif_filter_102.inp: OK
tests/cases/cif_filter_103.inp: OK
tests/cases/cif_filter_104.inp: OK
tests/cases/cif_filter_105.inp: OK
tests/cases/cif_filter_106.inp: OK
tests/cases/cif_filter_107.inp: OK
tests/cases/cif_filter_108.inp: OK
tests/cases/cif_filter_109.inp: OK
tests/cases/cif_filter_110.inp: OK
tests/cases/cif_filter_111.inp: OK
tests/cases/cif_filter_112.inp: OK
tests/cases/cif_filter_113.inp: OK
tests/cases/cif_filter_114.inp: OK
tests/cases/cif_filter_115.inp: OK
tests/cases/cif_filter_116.inp: OK
tests/cases/cif_filter_117.inp: OK
tests/cases/cif_filter_118.inp: OK
tests/cases/cif_filter_119.inp: OK
tests/cases/cif_filter_120.inp: OK
tests/cases/cif_filter_121.inp: OK
tests/cases/cif_filter_122.inp: OK
tests/cases/cif_filter_123.inp: OK
tests/cases/cif_filter_124.inp: OK
tests/cases/cif_filter_125.inp: OK
tests/cases/cif_filter_126.inp: OK
tests/cases/cif_filter_127.inp: OK
tests/cases/cif_filter_128.inp: OK
tests/cases/cif_filter_129.inp: OK
tests/cases/cif_filter_130.inp: OK
tests/cases/cif_filter_131.inp: OK
tests/cases/cif_filter_132.inp: OK
tests/cases/cif_filter_133.inp: OK
tests/cases/cif_filter_134.inp: OK
tests/cases/cif_filter_135.inp: OK
tests/cases/cif_filter_136.inp: OK
tests/cases/cif_filter_137.inp: OK
tests/cases/cif_filter_138.inp: OK
tests/cases/cif_filter_139.inp: OK
tests/cases/cif_filter_140.inp: OK
tests/cases/cif_filter_141.inp: OK
tests/cases/cif_filter_142.inp: OK
tests/cases/cif_filter_143.inp: OK
tests/cases/cif_filter_144.inp: OK
tests/cases/cif_filter_145.inp: OK
tests/cases/cif_filter_146.inp: OK
tests/cases/cif_filter_147.inp: OK
tests/cases/cif_filter_148.inp: OK
tests/cases/cif_filter_149.inp: OK
tests/cases/cif_filter_150.inp: OK
tests/cases/cif_filter_151.inp: OK
tests/cases/cif_filter_152.inp: OK
tests/cases/cif_filter_153.inp: OK
tests/cases/cif_filter_154.inp: OK
tests/cases/cif_filter_155.inp: OK
tests/cases/cif_filter_156.inp: OK
tests/cases/cif_filter_157.inp: OK
tests/cases/cif_filter_158.inp: OK
tests/cases/cif_filter_159.inp: OK
tests/cases/cif_filter_160.inp: OK
tests/cases/cif_filter_161.inp: OK
tests/cases/cif_filter_162.inp: OK
tests/cases/cif_filter_163.inp: OK
tests/cases/cif_filter_164.inp: OK
tests/cases/cif_filter_165.inp: OK
tests/cases/cif_filter_166.inp: OK
tests/cases/cif_filter_167.inp: OK
tests/cases/cif_filter_168.inp: OK
tests/cases/cif_filter_169.inp: OK
tests/cases/cif_filter_170.inp: OK
tests/cases/cif_filter_171.inp: OK
tests/cases/cif_filter_172.inp: OK
tests/cases/cif_filter_173.inp: OK
tests/cases/cif_filter_174.inp: OK
tests/cases/cif_filter_175.inp: OK
tests/cases/cif_filter_176.inp: OK
tests/cases/cif_filter_177.inp: OK
tests/cases/cif_filter_178.inp: OK
tests/cases/cif_filter_179.inp: OK
tests/cases/cif_filter_180.inp: OK
tests/cases/cif_filter_181.inp: OK
tests/cases/cif_filter_182.inp: OK
tests/cases/cif_filter_183.inp: OK
tests/cases/cif_filter_184.inp: OK
tests/cases/cif_find_duplicates_001.inp: OK
tests/cases/cif_find_duplicates_002.opt: OK
tests/cases/cif_find_duplicates_003.opt: OK
tests/cases/cif_find_duplicates_004.opt: OK
tests/cases/cif_find_duplicates_005.opt: OK
tests/cases/cif_find_duplicates_006.opt: OK
tests/cases/cif_find_duplicates_007.opt: OK
tests/cases/cif_find_duplicates_008.opt: OK
tests/cases/cif_find_duplicates_009.opt: OK
tests/cases/cif_find_duplicates_010.opt: OK
tests/cases/cif_find_duplicates_011.opt: OK
tests/cases/cif_find_symmetry_001.inp: OK
tests/cases/cif_find_symmetry_002.inp: OK
tests/cases/cif_find_symmetry_003.inp: FAILED:
81,82c81,82
< 3 -y,x,z
< 4 y,-x,-z
---
> 3 y,-x,z
> 4 -y,x,-z
85,88c85,88
< 7 y,-x,z
< 8 -y,x,-z
< 9 -y,-x,-z
< 10 y,x,z
---
> 7 -y,x,z
> 8 y,-x,-z
> 9 y,x,-z
> 10 -y,-x,z
91,92c91,92
< 13 y,x,-z
< 14 -y,-x,z
---
> 13 -y,-x,-z
> 14 y,x,z
97,98c97,98
< 19 -y+1/2,x,z+1/2
< 20 y+1/2,-x,-z+1/2
---
> 19 y+1/2,-x,z+1/2
> 20 -y+1/2,x,-z+1/2
101,104c101,104
< 23 y+1/2,-x,z+1/2
< 24 -y+1/2,x,-z+1/2
< 25 -y+1/2,-x,-z+1/2
< 26 y+1/2,x,z+1/2
---
> 23 -y+1/2,x,z+1/2
> 24 y+1/2,-x,-z+1/2
> 25 y+1/2,x,-z+1/2
> 26 -y+1/2,-x,z+1/2
107,108c107,108
< 29 y+1/2,x,-z+1/2
< 30 -y+1/2,-x,z+1/2
---
> 29 -y+1/2,-x,-z+1/2
> 30 y+1/2,x,z+1/2
113,114c113,114
< 35 -y+1/2,x+1/2,z
< 36 y+1/2,-x+1/2,-z
---
> 35 y+1/2,-x+1/2,z
> 36 -y+1/2,x+1/2,-z
117,120c117,120
< 39 y+1/2,-x+1/2,z
< 40 -y+1/2,x+1/2,-z
< 41 -y+1/2,-x+1/2,-z
< 42 y+1/2,x+1/2,z
---
> 39 -y+1/2,x+1/2,z
> 40 y+1/2,-x+1/2,-z
> 41 y+1/2,x+1/2,-z
> 42 -y+1/2,-x+1/2,z
123,124c123,124
< 45 y+1/2,x+1/2,-z
< 46 -y+1/2,-x+1/2,z
---
> 45 -y+1/2,-x+1/2,-z
> 46 y+1/2,x+1/2,z
129,130c129,130
< 51 -y,x+1/2,z+1/2
< 52 y,-x+1/2,-z+1/2
---
> 51 y,-x+1/2,z+1/2
> 52 -y,x+1/2,-z+1/2
133,136c133,136
< 55 y,-x+1/2,z+1/2
< 56 -y,x+1/2,-z+1/2
< 57 -y,-x+1/2,-z+1/2
< 58 y,x+1/2,z+1/2
---
> 55 -y,x+1/2,z+1/2
> 56 y,-x+1/2,-z+1/2
> 57 y,x+1/2,-z+1/2
> 58 -y,-x+1/2,z+1/2
139,140c139,140
< 61 y,x+1/2,-z+1/2
< 62 -y,-x+1/2,z+1/2
---
> 61 -y,-x+1/2,-z+1/2
> 62 y,x+1/2,z+1/2
tests/cases/cif_find_symmetry_004.inp: Test skipped - test only compatible with x86_64 architecture
tests/cases/cif_find_symmetry_005.inp: OK
tests/cases/cif_find_symmetry_006.inp: OK
tests/cases/cif_find_symmetry_007.inp: FAILED:
119,124c119,124
< 7 -x,-z,-y
< 8 x,z,y
< 9 -y,-x,-z
< 10 y,x,z
< 11 -z,-y,-x
< 12 z,y,x
---
> 7 -z,-y,-x
> 8 z,y,x
> 9 -x,-z,-y
> 10 x,z,y
> 11 -y,-x,-z
> 12 y,x,z
tests/cases/cif_find_symmetry_008.inp: OK
tests/cases/cif_find_symmetry_009.inp: Test skipped - test only compatible with x86_64 architecture
tests/cases/cif_find_symmetry_010.inp: OK
tests/cases/cif_find_symmetry_011.inp: OK
tests/cases/cif_find_symmetry_012.inp: Test skipped - test only compatible with x86_64 architecture
tests/cases/cif_find_symmetry_013.inp: FAILED:
3,4c3,4
< _cell_length_a                   1.738933679
< _cell_length_b                   3.98521358499
---
> _cell_length_a                   3.98521358499
> _cell_length_b                   1.738933679
6,8c6,8
< _cell_angle_alpha                90.0000002967
< _cell_angle_beta                 90
< _cell_angle_gamma                89.9999852376
---
> _cell_angle_alpha                90
> _cell_angle_beta                 89.9999997033
> _cell_angle_gamma                90.0000147624
39c39
< H 0.999999090751 0.249999090752 0.249930794315 1
---
> H 0.500000908245 0.750000908245 0.249930794315 1
44c44
< 2 -x,-y,-z
---
> 2 -x+0/3,-y,-z
47,50c47,50
< 5 x-y,-y,-z
< 6 -x+y,y,z
< 7 -x+y+1/2,y,-z
< 8 x-y+1/2,-y,z
---
> 5 -x+y+1/2,y,-z
> 6 x-y+1/2,-y,z
> 7 x-y,-y,-z
> 8 -x+y+0/3,y,z
tests/cases/cif_fix_values_001.inp: OK
tests/cases/cif_fix_values_002.inp: OK
tests/cases/cif_fix_values_003.inp: OK
tests/cases/cif_fix_values_004.inp: OK
tests/cases/cif_fix_values_005.inp: OK
tests/cases/cif_fix_values_006.inp: OK
tests/cases/cif_fix_values_007.inp: OK
tests/cases/cif_fix_values_008.inp: OK
tests/cases/cif_fix_values_009.inp: OK
tests/cases/cif_fix_values_010.inp: OK
tests/cases/cif_fix_values_011.inp: OK
tests/cases/cif_fix_values_012.inp: OK
tests/cases/cif_fix_values_013.inp: OK
tests/cases/cif_fix_values_014.inp: OK
tests/cases/cif_fix_values_015.inp: OK
tests/cases/cif_fix_values_016.inp: OK
tests/cases/cif_fix_values_017.inp: OK
tests/cases/cif_fix_values_018.inp: OK
tests/cases/cif_fix_values_019.inp: OK
tests/cases/cif_fix_values_020.inp: OK
tests/cases/cif_fix_values_023.inp: OK
tests/cases/cif_fix_values_024.inp: OK
tests/cases/cif_fix_values_025.inp: OK
tests/cases/cif_fix_values_026.inp: OK
tests/cases/cif_fix_values_027.inp: OK
tests/cases/cif_fix_values_028.inp: OK
tests/cases/cif_fix_values_029.inp: OK
tests/cases/cif_fix_values_030.inp: OK
tests/cases/cif_fix_values_031.inp: OK
tests/cases/cif_fix_values_032.inp: OK
tests/cases/cif_fix_values_033.inp: OK
tests/cases/cif_fix_values_034.inp: OK
tests/cases/cif_fix_values_035.inp: OK
tests/cases/cif_fix_values_036.inp: OK
tests/cases/cif_fix_values_037.inp: OK
tests/cases/cif_fix_values_038.inp: OK
tests/cases/cif_fix_values_039.inp: OK
tests/cases/cif_fix_values_040.inp: OK
tests/cases/cif_fix_values_041.inp: OK
tests/cases/cif_fix_values_042.inp: OK
tests/cases/cif_fix_values_043.inp: OK
tests/cases/cif_fix_values_044.inp: OK
tests/cases/cif_fix_values_045.inp: OK
tests/cases/cif_fix_values_046.inp: OK
tests/cases/cif_fix_values_047.inp: OK
tests/cases/cif_fix_values_048.inp: OK
tests/cases/cif_fix_values_049.inp: OK
tests/cases/cif_fix_values_050.inp: OK
tests/cases/cif_fix_values_051.inp: OK
tests/cases/cif_fix_values_052.inp: OK
tests/cases/cif_fix_values_053.inp: OK
tests/cases/cif_fix_values_054.inp: OK
tests/cases/cif_fix_values_055.inp: OK
tests/cases/cif_fix_values_056.inp: OK
tests/cases/cif_fix_values_057.inp: OK
tests/cases/cif_fix_values_058.inp: OK
tests/cases/cif_fix_values_059.inp: OK
tests/cases/cif_fix_values_060.inp: OK
tests/cases/cif_fix_values_061.inp: OK
tests/cases/cif_fix_values_062.inp: OK
tests/cases/cif_fix_values_063.inp: OK
tests/cases/cif_fix_values_064.inp: OK
tests/cases/cif_fix_values_065.inp: OK
tests/cases/cif_fix_values_066.inp: OK
tests/cases/cif_fix_values_067.inp: OK
tests/cases/cif_fix_values_068.inp: OK
tests/cases/cif_fix_values_069.inp: OK
tests/cases/cif_fix_values_070.inp: OK
tests/cases/cif_fix_values_071.inp: OK
tests/cases/cif_fix_values_072.inp: OK
tests/cases/cif_fix_values_073.inp: OK
tests/cases/cif_fix_values_074.inp: OK
tests/cases/cif_fix_values_075.inp: OK
tests/cases/cif_fix_values_076.inp: OK
tests/cases/cif_fix_values_077.inp: OK
tests/cases/cif_fix_values_078.inp: OK
tests/cases/cif_fix_values_079.inp: OK
tests/cases/cif_fix_values_080.inp: OK
tests/cases/cif_fix_values_081.inp: OK
tests/cases/cif_fix_values_082.inp: OK
tests/cases/cif_fix_values_083.inp: OK
tests/cases/cif_fix_values_084.inp: OK
tests/cases/cif_fix_values_085.inp: OK
tests/cases/cif_fix_values_086.inp: OK
tests/cases/cif_fix_values_087.inp: OK
tests/cases/cif_fix_values_088.inp: OK
tests/cases/cif_fix_values_089.inp: OK
tests/cases/cif_fix_values_090.inp: OK
tests/cases/cif_fix_values_091.inp: OK
tests/cases/cif_fix_values_092.inp: OK
tests/cases/cif_fix_values_093.inp: OK
tests/cases/cif_fix_values_094.inp: OK
tests/cases/cif_fix_values_095.inp: OK
tests/cases/cif_fix_values_096.inp: OK
tests/cases/cif_fix_values_097.inp: OK
tests/cases/cif_fix_values_098.inp: OK
tests/cases/cif_fix_values_099.inp: OK
tests/cases/cif_fix_values_100.inp: OK
tests/cases/cif_fix_values_101.inp: OK
tests/cases/cif_fix_values_102.inp: OK
tests/cases/cif_fix_values_103.inp: OK
tests/cases/cif_fix_values_104.inp: OK
tests/cases/cif_fix_values_105.inp: OK
tests/cases/cif_fix_values_106.inp: OK
tests/cases/cif_fix_values_107.inp: OK
tests/cases/cif_fix_values_108.inp: OK
tests/cases/cif_fix_values_109.inp: OK
tests/cases/cif_fix_values_110.inp: OK
tests/cases/cif_fix_values_111.inp: OK
tests/cases/cif_fix_values_112.inp: OK
tests/cases/cif_fix_values_113.inp: OK
tests/cases/cif_fix_values_114.inp: OK
tests/cases/cif_fix_values_115.inp: OK
tests/cases/cif_fix_values_116.inp: OK
tests/cases/cif_fix_values_117.opt: OK
tests/cases/cif_fix_values_118.inp: OK
tests/cases/cif_hkl_COD_number_001.inp: OK
tests/cases/cif_hkl_COD_number_002.inp: OK
tests/cases/cif_hkl_COD_number_003.inp: OK
tests/cases/cif_hkl_COD_number_004.inp: OK
tests/cases/cif_hkl_check_001.opt: OK
tests/cases/cif_hkl_check_002.opt: OK
tests/cases/cif_hkl_check_003.opt: OK
tests/cases/cif_hkl_check_004.opt: OK
tests/cases/cif_hkl_check_005.opt: OK
tests/cases/cif_hkl_check_006.opt: OK
tests/cases/cif_hkl_check_007.opt: OK
tests/cases/cif_hkl_check_008.opt: OK
tests/cases/cif_hkl_check_009.opt: OK
tests/cases/cif_hkl_check_010.opt: OK
tests/cases/cif_hkl_check_011.opt: OK
tests/cases/cif_hkl_check_012.opt: OK
tests/cases/cif_hkl_check_013.opt: OK
tests/cases/cif_hkl_check_014.opt: OK
tests/cases/cif_hkl_check_015.opt: OK
tests/cases/cif_hkl_check_016.opt: OK
tests/cases/cif_hkl_check_017.opt: OK
tests/cases/cif_mark_disorder_001.opt: OK
tests/cases/cif_mark_disorder_002.inp: OK
tests/cases/cif_mark_disorder_003.inp: OK
tests/cases/cif_mark_disorder_004.inp: OK
tests/cases/cif_mark_disorder_005.inp: OK
tests/cases/cif_mark_disorder_006.inp: OK
tests/cases/cif_mark_disorder_007.inp: OK
tests/cases/cif_mark_disorder_008.inp: OK
tests/cases/cif_mark_disorder_009.inp: OK
tests/cases/cif_mark_disorder_010.inp: OK
tests/cases/cif_mark_disorder_011.inp: OK
tests/cases/cif_mark_disorder_012.inp: OK
tests/cases/cif_mark_disorder_013.inp: OK
tests/cases/cif_mark_disorder_014.inp: OK
tests/cases/cif_mark_disorder_015.inp: OK
tests/cases/cif_mark_disorder_016.inp: OK
tests/cases/cif_mark_disorder_017.inp: OK
tests/cases/cif_mark_disorder_018.inp: OK
tests/cases/cif_mark_disorder_019.inp: OK
tests/cases/cif_mark_disorder_020.inp: OK
tests/cases/cif_mark_disorder_021.inp: OK
tests/cases/cif_mark_disorder_022.inp: OK
tests/cases/cif_merge_001.opt: OK
tests/cases/cif_merge_002.opt: OK
tests/cases/cif_merge_003.opt: OK
tests/cases/cif_merge_004.opt: OK
tests/cases/cif_merge_005.opt: OK
tests/cases/cif_merge_006.opt: OK
tests/cases/cif_merge_007.opt: OK
tests/cases/cif_molecule_001.inp: OK
tests/cases/cif_molecule_002.inp: OK
tests/cases/cif_molecule_003.inp: OK
tests/cases/cif_molecule_004.inp: OK
tests/cases/cif_molecule_005.inp: OK
tests/cases/cif_molecule_006.inp: OK
tests/cases/cif_molecule_007.inp: OK
tests/cases/cif_molecule_008.inp: OK
tests/cases/cif_molecule_009.inp: OK
tests/cases/cif_molecule_010.inp: OK
tests/cases/cif_molecule_011.inp: OK
tests/cases/cif_molecule_012.inp: OK
tests/cases/cif_molecule_013.inp: OK
tests/cases/cif_molecule_014.inp: OK
tests/cases/cif_molecule_015.inp: OK
tests/cases/cif_molecule_016.inp: OK
tests/cases/cif_molecule_017.inp: OK
tests/cases/cif_molecule_018.inp: OK
tests/cases/cif_molecule_019.inp: OK
tests/cases/cif_molecule_020.inp: OK
tests/cases/cif_molecule_021.inp: OK
tests/cases/cif_molecule_022.inp: OK
tests/cases/cif_molecule_023.inp: OK
tests/cases/cif_molecule_024.inp: OK
tests/cases/cif_molecule_025.inp: OK
tests/cases/cif_molecule_026.inp: OK
tests/cases/cif_molecule_027.inp: OK
tests/cases/cif_molecule_028.inp: OK
tests/cases/cif_molecule_029.inp: OK
tests/cases/cif_molecule_030.inp: OK
tests/cases/cif_molecule_031.inp: OK
tests/cases/cif_molecule_032.inp: OK
tests/cases/cif_molecule_033.inp: OK
tests/cases/cif_molecule_034.inp: OK
tests/cases/cif_molecule_035.inp: OK
tests/cases/cif_molecule_036.inp: OK
tests/cases/cif_molecule_037.inp: OK
tests/cases/cif_molecule_038.inp: OK
tests/cases/cif_molecule_039.inp: OK
tests/cases/cif_molecule_040.inp: OK
tests/cases/cif_molecule_041.inp: OK
tests/cases/cif_molecule_042.inp: OK
tests/cases/cif_molecule_043.inp: OK
tests/cases/cif_molecule_044.inp: OK
tests/cases/cif_molecule_045.inp: OK
tests/cases/cif_molecule_046.inp: OK
tests/cases/cif_molecule_047.inp: OK
tests/cases/cif_molecule_048.inp: OK
tests/cases/cif_molecule_049.inp: OK
tests/cases/cif_molecule_050.inp: OK
tests/cases/cif_molecule_051.inp: OK
tests/cases/cif_molecule_052.inp: OK
tests/cases/cif_molecule_053.inp: OK
tests/cases/cif_molecule_054.inp: OK
tests/cases/cif_molecule_055.inp: OK
tests/cases/cif_molecule_056.inp: OK
tests/cases/cif_molecule_057.inp: OK
tests/cases/cif_molecule_058.inp: OK
tests/cases/cif_molecule_059.inp: OK
tests/cases/cif_molecule_060.inp: OK
tests/cases/cif_molecule_061.inp: OK
tests/cases/cif_molecule_062.inp: OK
tests/cases/cif_molecule_063.inp: OK
tests/cases/cif_molecule_064.inp: OK
tests/cases/cif_molecule_065.opt: OK
tests/cases/cif_molecule_066.opt: OK
tests/cases/cif_molecule_067.opt: OK
tests/cases/cif_molecule_068.opt: OK
tests/cases/cif_molecule_069.opt: OK
tests/cases/cif_molecule_070.inp: OK
tests/cases/cif_molecule_071.inp: OK
tests/cases/cif_molecule_072.inp: OK
tests/cases/cif_molecule_073.inp: OK
tests/cases/cif_molecule_074.inp: OK
tests/cases/cif_molecule_075.inp: OK
tests/cases/cif_molecule_076.inp: OK
tests/cases/cif_molecule_077.inp: OK
tests/cases/cif_molecule_078.inp: OK
tests/cases/cif_molecule_079.inp: OK
tests/cases/cif_molecule_080.inp: OK
tests/cases/cif_molecule_081.inp: OK
tests/cases/cif_molecule_082.inp: OK
tests/cases/cif_molecule_083.inp: OK
tests/cases/cif_molecule_084.inp: OK
tests/cases/cif_molecule_085.inp: OK
tests/cases/cif_molecule_086.inp: OK
tests/cases/cif_molecule_087.inp: OK
tests/cases/cif_molecule_088.inp: OK
tests/cases/cif_molecule_089.inp: OK
tests/cases/cif_molecule_090.inp: OK
tests/cases/cif_molecule_091.inp: OK
tests/cases/cif_molecule_092.inp: OK
tests/cases/cif_molecule_093.inp: OK
tests/cases/cif_molecule_094.inp: OK
tests/cases/cif_molecule_095.inp: OK
tests/cases/cif_molecule_096.inp: OK
tests/cases/cif_mpod_v1_to_v2_001.inp: OK
tests/cases/cif_mpod_v1_to_v2_002.inp: OK
tests/cases/cif_mpod_v1_to_v2_003.inp: OK
tests/cases/cif_mpod_v1_to_v2_004.inp: OK
tests/cases/cif_mpod_v1_to_v2_005.inp: OK
tests/cases/cif_mpod_v1_to_v2_006.inp: OK
tests/cases/cif_mpod_v1_to_v2_007.inp: OK
tests/cases/cif_mpod_v1_to_v2_008.inp: OK
tests/cases/cif_mpod_v1_to_v2_009.inp: OK
tests/cases/cif_mpod_v1_to_v3_001.inp: OK
tests/cases/cif_mpod_v1_to_v3_002.inp: OK
tests/cases/cif_mpod_v1_to_v3_003.inp: OK
tests/cases/cif_mpod_v1_to_v3_004.inp: OK
tests/cases/cif_mpod_v1_to_v3_005.inp: OK
tests/cases/cif_mpod_v1_to_v3_006.inp: OK
tests/cases/cif_mpod_v1_to_v3_007.inp: OK
tests/cases/cif_mpod_v1_to_v3_008.inp: OK
tests/cases/cif_mpod_v1_to_v3_009.inp: OK
tests/cases/cif_mpod_v1_to_v3_010.inp: OK
tests/cases/cif_mpod_v1_to_v3_011.inp: OK
tests/cases/cif_mpod_v2_to_v1_001.inp: OK
tests/cases/cif_mpod_v3_to_v1_001.inp: OK
tests/cases/cif_mpod_v3_to_v1_002.inp: OK
tests/cases/cif_mpod_v3_to_v1_003.inp: OK
tests/cases/cif_overlay_001.opt: OK
tests/cases/cif_overlay_002.opt: OK
tests/cases/cif_p1_001.inp:    OK
tests/cases/cif_p1_002.inp:    OK
tests/cases/cif_p1_003.inp:    OK
tests/cases/cif_p1_004.inp:    OK
tests/cases/cif_p1_005.inp:    OK
tests/cases/cif_p1_006.inp:    OK
tests/cases/cif_p1_007.inp:    OK
tests/cases/cif_p1_008.inp:    OK
tests/cases/cif_p1_009.inp:    OK
tests/cases/cif_printout_001.inp: OK
tests/cases/cif_printout_002.inp: OK
tests/cases/cif_printout_003.inp: OK
tests/cases/cif_printout_004.inp: OK
tests/cases/cif_printout_005.inp: OK
tests/cases/cif_printout_006.inp: OK
tests/cases/cif_printout_007.inp: OK
tests/cases/cif_printout_008.inp: OK
tests/cases/cif_printout_009.inp: OK
tests/cases/cif_printout_010.inp: OK
tests/cases/cif_printout_011.inp: OK
tests/cases/cif_printout_012.inp: OK
tests/cases/cif_reduce_Niggli_001.inp: OK
tests/cases/cif_reduce_Niggli_002.inp: OK
tests/cases/cif_reduce_Niggli_003.inp: OK
tests/cases/cif_reduce_Niggli_004.inp: OK
tests/cases/cif_reduce_Niggli_005.inp: OK
tests/cases/cif_reduce_Niggli_006.inp: OK
tests/cases/cif_reduce_cell_001.inp: OK
tests/cases/cif_reduce_cell_002.inp: OK
tests/cases/cif_reduce_cell_003.inp: OK
tests/cases/cif_reformat_AMCSD_author_names_001.inp: OK
tests/cases/cif_reformat_AMCSD_author_names_002.inp: OK
tests/cases/cif_reformat_AMCSD_author_names_003.opt: OK
tests/cases/cif_reformat_AMCSD_author_names_004.inp: OK
tests/cases/cif_reformat_AMCSD_author_names_005.inp: OK
tests/cases/cif_reformat_AMCSD_author_names_006.inp: OK
tests/cases/cif_reformat_AMCSD_author_names_007.inp: OK
tests/cases/cif_reformat_AMCSD_author_names_008.inp: OK
tests/cases/cif_reformat_pubmed_author_names_001.inp: OK
tests/cases/cif_reformat_uppercase_author_names_001.inp: OK
tests/cases/cif_reformat_uppercase_author_names_002.inp: OK
tests/cases/cif_reformat_uppercase_author_names_003.inp: OK
tests/cases/cif_reformat_uppercase_author_names_004.inp: OK
tests/cases/cif_select_001.inp: OK
tests/cases/cif_select_002.inp: OK
tests/cases/cif_select_003.inp: OK
tests/cases/cif_select_004.inp: OK
tests/cases/cif_select_005.inp: OK
tests/cases/cif_select_006.inp: OK
tests/cases/cif_select_007.inp: OK
tests/cases/cif_select_008.inp: OK
tests/cases/cif_select_009.inp: OK
tests/cases/cif_select_010.opt: OK
tests/cases/cif_select_011.inp: OK
tests/cases/cif_set_value_001.inp: OK
tests/cases/cif_set_value_002.inp: OK
tests/cases/cif_set_value_003.inp: OK
tests/cases/cif_sort_atoms_001.inp: OK
tests/cases/cif_sort_atoms_002.inp: OK
tests/cases/cif_sort_atoms_003.inp: OK
tests/cases/cif_split_001.inp: OK
tests/cases/cif_split_002.inp: OK
tests/cases/cif_split_003.inp: OK
tests/cases/cif_split_004.inp: OK
tests/cases/cif_split_005.inp: OK
tests/cases/cif_tags_in_list_001.inp: OK
tests/cases/cif_tcod_tree_001.inp: FAILED:
1c1,2
< scripts/cif_tcod_tree: tests/cases/cif_tcod_tree_001.inp data_tcod_cif: WARNING, MD5 checksums of the original 'test.cif' and decoded files are different.
---
> Can't locate WWW/Curl/Easy.pm in @INC (you may need to install the WWW::Curl::Easy module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif_tcod_tree_002.inp: FAILED:
1,4c1,2
< scripts/cif_tcod_tree: tests/cases/cif_tcod_tree_002.inp data_tcod_cif: WARNING, MD5 checksums of the original 'test.cif' and decoded files are different.
< ./test.cif
< ./author.txt
< ./main.sh
---
> Can't locate WWW/Curl/Easy.pm in @INC (you may need to install the WWW::Curl::Easy module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif_tcod_tree_003.inp: FAILED:
1,77c1,2
< ./0
< ./0/_aiidasubmit.sh
< ./0/aiida.in
< ./0/.aiida
< ./0/.aiida/job_tmpl.json
< ./0/.aiida/calcinfo.json
< ./0/aiida.err
< ./0/aiida.out
< ./1
< ./1/_aiidasubmit.sh
< ./1/aiida.in
< ./1/.aiida
< ./1/.aiida/job_tmpl.json
< ./1/.aiida/calcinfo.json
< ./1/aiida.err
< ./1/aiida.out
< ./2
< ./2/_aiidasubmit.sh
< ./2/aiida.in
< ./2/.aiida
< ./2/.aiida/job_tmpl.json
< ./2/.aiida/calcinfo.json
< ./2/aiida.err
< ./2/split
< ./2/split/1000000_molecule_1.cif
< ./2/split/1000000_molecule_0.cif
< ./2/aiida.out
< ./aiida
< ./aiida/metadata.json
< ./aiida/data.json
< ./aiida/nodes/4f/9b/2efe-be20-4098-b6a5-1d9d7beb43c3/path
< ./aiida/nodes/4f/9b/2efe-be20-4098-b6a5-1d9d7beb43c3/path/aiida.err
< ./aiida/nodes/4f/9b/2efe-be20-4098-b6a5-1d9d7beb43c3/path/_scheduler-stdout.txt
< ./aiida/nodes/4f/9b/2efe-be20-4098-b6a5-1d9d7beb43c3/path/_scheduler-stderr.txt
< ./aiida/nodes/4f/9b/2efe-be20-4098-b6a5-1d9d7beb43c3/path/aiida.out
< ./aiida/nodes/09/f3/e62f-491a-4290-82c8-01d231016fde/path
< ./aiida/nodes/09/f3/e62f-491a-4290-82c8-01d231016fde/path/tmpTELWn8
< ./aiida/nodes/09/3c/bbf4-9880-4989-b9b2-5416cded56bb/path
< ./aiida/nodes/09/3c/bbf4-9880-4989-b9b2-5416cded56bb/path/aiida.err
< ./aiida/nodes/09/3c/bbf4-9880-4989-b9b2-5416cded56bb/path/_scheduler-stdout.txt
< ./aiida/nodes/09/3c/bbf4-9880-4989-b9b2-5416cded56bb/path/_scheduler-stderr.txt
< ./aiida/nodes/09/3c/bbf4-9880-4989-b9b2-5416cded56bb/path/aiida.out
< ./aiida/nodes/87/e7/b703-837e-4e80-b7eb-cfcf81148e9e/path
< ./aiida/nodes/87/e7/b703-837e-4e80-b7eb-cfcf81148e9e/path/aiida.out
< ./aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path
< ./aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path/aiida.err
< ./aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path/split
< ./aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path/split/1000000_molecule_1.cif
< ./aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path/split/1000000_molecule_0.cif
< ./aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path/_scheduler-stdout.txt
< ./aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path/_scheduler-stderr.txt
< ./aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path/aiida.out
< ./aiida/nodes/24/b3/76f7-5673-4822-8438-7740b7b9e935/path
< ./aiida/nodes/24/b3/76f7-5673-4822-8438-7740b7b9e935/path/1000000_molecule_0.cif
< ./aiida/nodes/24/e1/40e8-a41e-42c7-bea9-70d00167068d/raw_input
< ./aiida/nodes/24/e1/40e8-a41e-42c7-bea9-70d00167068d/raw_input/_aiidasubmit.sh
< ./aiida/nodes/24/e1/40e8-a41e-42c7-bea9-70d00167068d/raw_input/aiida.in
< ./aiida/nodes/24/e1/40e8-a41e-42c7-bea9-70d00167068d/raw_input/.aiida
< ./aiida/nodes/24/e1/40e8-a41e-42c7-bea9-70d00167068d/raw_input/.aiida/job_tmpl.json
< ./aiida/nodes/24/e1/40e8-a41e-42c7-bea9-70d00167068d/raw_input/.aiida/calcinfo.json
< ./aiida/nodes/a5/22/4652-5800-47a7-a212-5b629040fe50/path
< ./aiida/nodes/a5/22/4652-5800-47a7-a212-5b629040fe50/path/1000000_molecule_1.cif
< ./aiida/nodes/56/93/da76-6ba4-4bdf-9d4e-bf016fb52e61/path
< ./aiida/nodes/56/93/da76-6ba4-4bdf-9d4e-bf016fb52e61/path/aiida.out
< ./aiida/nodes/3e/35/c0b6-c486-4172-8f40-7e9391f89b02/raw_input
< ./aiida/nodes/3e/35/c0b6-c486-4172-8f40-7e9391f89b02/raw_input/_aiidasubmit.sh
< ./aiida/nodes/3e/35/c0b6-c486-4172-8f40-7e9391f89b02/raw_input/aiida.in
< ./aiida/nodes/3e/35/c0b6-c486-4172-8f40-7e9391f89b02/raw_input/.aiida
< ./aiida/nodes/3e/35/c0b6-c486-4172-8f40-7e9391f89b02/raw_input/.aiida/job_tmpl.json
< ./aiida/nodes/3e/35/c0b6-c486-4172-8f40-7e9391f89b02/raw_input/.aiida/calcinfo.json
< ./aiida/nodes/04/5a/e3a9-0c2d-413f-b0f0-76d2af9cd73b/raw_input
< ./aiida/nodes/04/5a/e3a9-0c2d-413f-b0f0-76d2af9cd73b/raw_input/_aiidasubmit.sh
< ./aiida/nodes/04/5a/e3a9-0c2d-413f-b0f0-76d2af9cd73b/raw_input/aiida.in
< ./aiida/nodes/04/5a/e3a9-0c2d-413f-b0f0-76d2af9cd73b/raw_input/.aiida
< ./aiida/nodes/04/5a/e3a9-0c2d-413f-b0f0-76d2af9cd73b/raw_input/.aiida/job_tmpl.json
< ./aiida/nodes/04/5a/e3a9-0c2d-413f-b0f0-76d2af9cd73b/raw_input/.aiida/calcinfo.json
< ./main.sh
---
> Can't locate WWW/Curl/Easy.pm in @INC (you may need to install the WWW::Curl::Easy module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif_tcod_tree_004.inp: FAILED:
1,69c1,2
< ./0
< ./0/_aiidasubmit.sh
< ./0/aiida.in
< ./0/.aiida
< ./0/.aiida/job_tmpl.json
< ./0/.aiida/calcinfo.json
< ./1
< ./1/_aiidasubmit.sh
< ./1/aiida.in
< ./1/.aiida
< ./1/.aiida/job_tmpl.json
< ./1/.aiida/calcinfo.json
< ./2
< ./2/_aiidasubmit.sh
< ./2/aiida.in
< ./2/.aiida
< ./2/.aiida/job_tmpl.json
< ./2/.aiida/calcinfo.json
< ./2/split
< ./aiida
< ./aiida/metadata.json
< ./aiida/data.json
< ./aiida/nodes/4f/9b/2efe-be20-4098-b6a5-1d9d7beb43c3/path
< ./aiida/nodes/4f/9b/2efe-be20-4098-b6a5-1d9d7beb43c3/path/aiida.err
< ./aiida/nodes/4f/9b/2efe-be20-4098-b6a5-1d9d7beb43c3/path/_scheduler-stdout.txt
< ./aiida/nodes/4f/9b/2efe-be20-4098-b6a5-1d9d7beb43c3/path/_scheduler-stderr.txt
< ./aiida/nodes/4f/9b/2efe-be20-4098-b6a5-1d9d7beb43c3/path/aiida.out
< ./aiida/nodes/09/f3/e62f-491a-4290-82c8-01d231016fde/path
< ./aiida/nodes/09/f3/e62f-491a-4290-82c8-01d231016fde/path/tmpTELWn8
< ./aiida/nodes/09/3c/bbf4-9880-4989-b9b2-5416cded56bb/path
< ./aiida/nodes/09/3c/bbf4-9880-4989-b9b2-5416cded56bb/path/aiida.err
< ./aiida/nodes/09/3c/bbf4-9880-4989-b9b2-5416cded56bb/path/_scheduler-stdout.txt
< ./aiida/nodes/09/3c/bbf4-9880-4989-b9b2-5416cded56bb/path/_scheduler-stderr.txt
< ./aiida/nodes/09/3c/bbf4-9880-4989-b9b2-5416cded56bb/path/aiida.out
< ./aiida/nodes/87/e7/b703-837e-4e80-b7eb-cfcf81148e9e/path
< ./aiida/nodes/87/e7/b703-837e-4e80-b7eb-cfcf81148e9e/path/aiida.out
< ./aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path
< ./aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path/aiida.err
< ./aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path/split
< ./aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path/split/1000000_molecule_1.cif
< ./aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path/split/1000000_molecule_0.cif
< ./aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path/_scheduler-stdout.txt
< ./aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path/_scheduler-stderr.txt
< ./aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path/aiida.out
< ./aiida/nodes/24/b3/76f7-5673-4822-8438-7740b7b9e935/path
< ./aiida/nodes/24/b3/76f7-5673-4822-8438-7740b7b9e935/path/1000000_molecule_0.cif
< ./aiida/nodes/24/e1/40e8-a41e-42c7-bea9-70d00167068d/raw_input
< ./aiida/nodes/24/e1/40e8-a41e-42c7-bea9-70d00167068d/raw_input/_aiidasubmit.sh
< ./aiida/nodes/24/e1/40e8-a41e-42c7-bea9-70d00167068d/raw_input/aiida.in
< ./aiida/nodes/24/e1/40e8-a41e-42c7-bea9-70d00167068d/raw_input/.aiida
< ./aiida/nodes/24/e1/40e8-a41e-42c7-bea9-70d00167068d/raw_input/.aiida/job_tmpl.json
< ./aiida/nodes/24/e1/40e8-a41e-42c7-bea9-70d00167068d/raw_input/.aiida/calcinfo.json
< ./aiida/nodes/a5/22/4652-5800-47a7-a212-5b629040fe50/path
< ./aiida/nodes/a5/22/4652-5800-47a7-a212-5b629040fe50/path/1000000_molecule_1.cif
< ./aiida/nodes/56/93/da76-6ba4-4bdf-9d4e-bf016fb52e61/path
< ./aiida/nodes/56/93/da76-6ba4-4bdf-9d4e-bf016fb52e61/path/aiida.out
< ./aiida/nodes/3e/35/c0b6-c486-4172-8f40-7e9391f89b02/raw_input
< ./aiida/nodes/3e/35/c0b6-c486-4172-8f40-7e9391f89b02/raw_input/_aiidasubmit.sh
< ./aiida/nodes/3e/35/c0b6-c486-4172-8f40-7e9391f89b02/raw_input/aiida.in
< ./aiida/nodes/3e/35/c0b6-c486-4172-8f40-7e9391f89b02/raw_input/.aiida
< ./aiida/nodes/3e/35/c0b6-c486-4172-8f40-7e9391f89b02/raw_input/.aiida/job_tmpl.json
< ./aiida/nodes/3e/35/c0b6-c486-4172-8f40-7e9391f89b02/raw_input/.aiida/calcinfo.json
< ./aiida/nodes/04/5a/e3a9-0c2d-413f-b0f0-76d2af9cd73b/raw_input
< ./aiida/nodes/04/5a/e3a9-0c2d-413f-b0f0-76d2af9cd73b/raw_input/_aiidasubmit.sh
< ./aiida/nodes/04/5a/e3a9-0c2d-413f-b0f0-76d2af9cd73b/raw_input/aiida.in
< ./aiida/nodes/04/5a/e3a9-0c2d-413f-b0f0-76d2af9cd73b/raw_input/.aiida
< ./aiida/nodes/04/5a/e3a9-0c2d-413f-b0f0-76d2af9cd73b/raw_input/.aiida/job_tmpl.json
< ./aiida/nodes/04/5a/e3a9-0c2d-413f-b0f0-76d2af9cd73b/raw_input/.aiida/calcinfo.json
< ./main.sh
---
> Can't locate WWW/Curl/Easy.pm in @INC (you may need to install the WWW::Curl::Easy module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/cases/cif_validate_001.inp: OK
tests/cases/cif_validate_002.inp: OK
tests/cases/cif_validate_003.inp: OK
tests/cases/cif_validate_004.inp: OK
tests/cases/cif_validate_005.inp: OK
tests/cases/cif_validate_006.inp: OK
tests/cases/cif_validate_007.inp: OK
tests/cases/cif_validate_008.inp: OK
tests/cases/cif_validate_009.inp: OK
tests/cases/cif_validate_010.inp: OK
tests/cases/cif_validate_011.inp: OK
tests/cases/cif_validate_012.inp: OK
tests/cases/cif_validate_013.inp: OK
tests/cases/cif_validate_014.inp: OK
tests/cases/cif_validate_015.inp: OK
tests/cases/cif_validate_016.inp: OK
tests/cases/cif_validate_017.inp: OK
tests/cases/cif_validate_018.inp: OK
tests/cases/cif_validate_019.inp: OK
tests/cases/cif_validate_020.inp: OK
tests/cases/cif_validate_021.inp: OK
tests/cases/cif_validate_022.inp: OK
tests/cases/cif_validate_023.inp: OK
tests/cases/cif_validate_024.opt: OK
tests/cases/cif_validate_025.inp: OK
tests/cases/cif_validate_026.inp: OK
tests/cases/cif_validate_027.inp: OK
tests/cases/cif_validate_028.inp: OK
tests/cases/cif_validate_029.inp: OK
tests/cases/cif_validate_030.inp: OK
tests/cases/cif_validate_031.inp: OK
tests/cases/cif_validate_032.inp: OK
tests/cases/cif_validate_033.inp: OK
tests/cases/cif_validate_034.inp: OK
tests/cases/cif_validate_035.inp: OK
tests/cases/cif_validate_036.inp: OK
tests/cases/cif_validate_037.inp: OK
tests/cases/cif_validate_038.inp: OK
tests/cases/cif_validate_039.inp: OK
tests/cases/cif_values_001.inp: OK
tests/cases/cif_values_002.inp: OK
tests/cases/cif_values_003.inp: OK
tests/cases/cif_values_004.inp: OK
tests/cases/cif_values_005.inp: OK
tests/cases/cif_values_006.inp: OK
tests/cases/cif_values_007.inp: OK
tests/cases/cif_values_008.opt: OK
tests/cases/cif_values_009.opt: OK
tests/cases/cif_values_010.opt: OK
tests/cases/cif_values_011.opt: OK
tests/cases/cif_values_012.opt: OK
tests/cases/cif_values_013.opt: OK
tests/cases/cif_values_014.opt: OK
tests/cases/cif_values_015.inp: OK
tests/cases/cif_values_016.inp: OK
tests/cases/cif_values_017.inp: OK
tests/cases/cif_values_018.inp: OK
tests/cases/cif_values_019.inp: OK
tests/cases/cif_values_020.inp: OK
tests/cases/cif_values_021.inp: OK
tests/cases/cif_values_022.inp: OK
tests/cases/cif_values_023.inp: OK
tests/cases/cif_values_024.inp: OK
tests/cases/cif_values_025.inp: OK
tests/cases/cif_values_026.inp: OK
tests/cases/cod2rdf_001.opt:   OK
tests/cases/cod2rdf_002.opt:   OK
tests/cases/cod2rdf_003.opt:   OK
tests/cases/cod2rdf_004.opt:   OK
tests/cases/cod2rdf_005.opt:   OK
tests/cases/cod2rdf_006.opt:   OK
tests/cases/cod2rdf_007.opt:   OK
tests/cases/cod2rdf_008.opt:   OK
tests/cases/cod2rdf_009.opt:   OK
tests/cases/cod2rdf_010.opt:   OK
tests/cases/cod2rdf_011.opt:   OK
tests/cases/cod2rdf_012.opt:   OK
tests/cases/cod2rdf_013.opt:   OK
tests/cases/cod2rdf_014.opt:   OK
tests/cases/cod2rdf_015.opt:   OK
tests/cases/cod2rdf_016.opt:   OK
tests/cases/cod2rdf_017.opt:   OK
tests/cases/cod2rdf_018.opt:   OK
tests/cases/cod2rdf_019.opt:   OK
tests/cases/cod2rdf_020.opt:   OK
tests/cases/cod2rdf_021.opt:   OK
tests/cases/cod2rdf_022.opt:   OK
tests/cases/cod2rdf_023.opt:   OK
tests/cases/cod2rdf_024.opt:   OK
tests/cases/cod2rdf_025.opt:   OK
tests/cases/cod2rdf_026.opt:   OK
tests/cases/cod2rdf_027.opt:   OK
tests/cases/cod_manage_related_001.inp: OK
tests/cases/cod_manage_related_002.inp: OK
tests/cases/cod_manage_related_003.inp: OK
tests/cases/cod_manage_related_004.inp: OK
tests/cases/cod_manage_related_005.inp: OK
tests/cases/cod_manage_related_006.inp: OK
tests/cases/cod_manage_related_007.inp: OK
tests/cases/cod_manage_related_008.inp: OK
tests/cases/cod_manage_related_009.inp: OK
tests/cases/cod_manage_related_010.inp: OK
tests/cases/cod_manage_related_011.inp: OK
tests/cases/cod_manage_related_012.inp: OK
tests/cases/cod_predeposition_check_001.opt: OK
tests/cases/cod_predeposition_check_002.opt: OK
tests/cases/cod_predeposition_check_003.opt: OK
tests/cases/cod_predeposition_check_004.opt: FAILED:
1,2c1
< scripts/cod_predeposition_check: tests/inputs/loop_unquoted_01.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/loop_unquoted_01.inp: ERROR, file became empty after filtering with cif_filter.
---
> scripts/cod_predeposition_check: tests/inputs/loop_unquoted_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/loop_unquoted_01.inp: ERROR, file became empty after filtering with cif_filter.
tests/cases/cod_predeposition_check_005.opt: OK
tests/cases/cod_predeposition_check_006.opt: OK
tests/cases/cod_predeposition_check_007.opt: OK
tests/cases/cod_predeposition_check_008.opt: OK
tests/cases/cod_predeposition_check_009.opt: FAILED:
1,6c1
< scripts/cod_predeposition_check: tests/inputs/quartz-and-water.cif data_quartz: WARNING, data name '_chemical_name' is not recognised.
< scripts/cod_predeposition_check: tests/inputs/quartz-and-water.cif data_quartz: WARNING, the space group could not be estimated from the symmetry operators.
< scripts/cod_predeposition_check: tests/inputs/quartz-and-water.cif data_quartz: NOTE, symmetry operations '-x,-x+y,-z+1/3', 'x-y,-y,-z+2/3', 'y,x,-z' are missing, although required by the space group 'P 31 2 1'.
< scripts/cod_predeposition_check: tests/inputs/quartz-and-water.cif data_quartz: NOTE, symmetry operations '-x,-x+y,-z+2/3', 'x-y,-y,-z', 'y,x,-z+1/3' are found, although not required by the space group 'P 31 2 1'.
< scripts/cod_predeposition_check: tests/inputs/quartz-and-water.cif: NOTE, 2 NOTE(s) encountered.
< scripts/cod_predeposition_check: tests/inputs/quartz-and-water.cif: WARNING, journals 'Zeitschrift fur Kristallographie' of data_quartz and 'Journal of Chemical Physics' of data_1011023 indicate that the data blocks belong to different COD number ranges -- please submit them as separate CIFs.
---
> scripts/cod_predeposition_check: tests/inputs/quartz-and-water.cif data_quartz: WARNING, data name '_chemical_name' is not recognised.scripts/cod_predeposition_check: tests/inputs/quartz-and-water.cif data_quartz: WARNING, the space group could not be estimated from the symmetry operators.scripts/cod_predeposition_check: tests/inputs/quartz-and-water.cif: WARNING, journals 'Zeitschrift fur Kristallographie' of data_quartz and 'Journal of Chemical Physics' of data_1011023 indicate that the data blocks belong to different COD number ranges -- please submit them as separate CIFs.
tests/cases/cod_predeposition_check_010.opt: FAILED:
1,6c1
< scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: WARNING, data name '_chemical_name' is not recognised.
< scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: WARNING, the space group could not be estimated from the symmetry operators.
< scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: NOTE, symmetry operations '-x,-x+y,-z+1/3', 'x-y,-y,-z+2/3', 'y,x,-z' are missing, although required by the space group 'P 31 2 1'.
< scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: NOTE, symmetry operations '-x,-x+y,-z+2/3', 'x-y,-y,-z', 'y,x,-z+1/3' are found, although not required by the space group 'P 31 2 1'.
< scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif: NOTE, 2 NOTE(s) encountered.
< scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_1011023: NOTE, tag '_cod_database_code' value '1011023' will be overwritten upon deposition.
---
> scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: WARNING, data name '_chemical_name' is not recognised.scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: WARNING, the space group could not be estimated from the symmetry operators.scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_1011023: NOTE, tag '_cod_database_code' value '1011023' will be overwritten upon deposition.
9d3
< scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: WARNING, data name '_chemical_name' is not recognised.
tests/cases/cod_predeposition_check_011.opt: FAILED:
1,6c1
< scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: WARNING, data name '_chemical_name' is not recognised.
< scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: WARNING, the space group could not be estimated from the symmetry operators.
< scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: NOTE, symmetry operations '-x,-x+y,-z+1/3', 'x-y,-y,-z+2/3', 'y,x,-z' are missing, although required by the space group 'P 31 2 1'.
< scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: NOTE, symmetry operations '-x,-x+y,-z+2/3', 'x-y,-y,-z', 'y,x,-z+1/3' are found, although not required by the space group 'P 31 2 1'.
< scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif: NOTE, 2 NOTE(s) encountered.
< scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_1011023: WARNING, author list in the data block data_quartz (Glinnemann J; King H E; Schulz H; Hahn T; La Placa S J; Dacol F) is not the same as in the data block data_1011023 (Bernal, J D; Fowler, R H) -- please make sure that all data are authored by the same people when depositing multiple data blocks.
---
> scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: WARNING, data name '_chemical_name' is not recognised.scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: WARNING, the space group could not be estimated from the symmetry operators.scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_1011023: WARNING, author list in the data block data_quartz (Glinnemann J; King H E; Schulz H; Hahn T; La Placa S J; Dacol F) is not the same as in the data block data_1011023 (Bernal, J D; Fowler, R H) -- please make sure that all data are authored by the same people when depositing multiple data blocks.
tests/cases/cod_predeposition_check_012.opt: FAILED:
1,6c1
< scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: WARNING, data name '_chemical_name' is not recognised.
< scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: WARNING, the space group could not be estimated from the symmetry operators.
< scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: NOTE, symmetry operations '-x,-x+y,-z+1/3', 'x-y,-y,-z+2/3', 'y,x,-z' are missing, although required by the space group 'P 31 2 1'.
< scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: NOTE, symmetry operations '-x,-x+y,-z+2/3', 'x-y,-y,-z', 'y,x,-z+1/3' are found, although not required by the space group 'P 31 2 1'.
< scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif: NOTE, 2 NOTE(s) encountered.
< scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif: WARNING, file supplied for replacement should have only one data block.
---
> scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: WARNING, data name '_chemical_name' is not recognised.scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: WARNING, the space group could not be estimated from the symmetry operators.scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif: WARNING, file supplied for replacement should have only one data block.
tests/cases/cod_predeposition_check_013.opt: FAILED:
1,2d0
< scripts/cod_predeposition_check: tests/inputs/8100760.cif data_8100760: NOTE, '_chemical_melting_point' value '104\/oC' was changed to '377.15' - it was converted from degrees Celsius(C) to Kelvins(K).
< scripts/cod_predeposition_check: tests/inputs/8100760.cif: NOTE, 1 WARNING(s) encountered.
tests/cases/cod_predeposition_check_014.opt: FAILED:
1,2d0
< scripts/cod_predeposition_check: tests/inputs/8100760.cif data_8100760: NOTE, '_chemical_melting_point' value '104\/oC' was changed to '377.15' - it was converted from degrees Celsius(C) to Kelvins(K).
< scripts/cod_predeposition_check: tests/inputs/8100760.cif: NOTE, 1 WARNING(s) encountered.
tests/cases/cod_predeposition_check_015.opt: FAILED:
1,2d0
< scripts/cod_predeposition_check: tests/inputs/8100760.cif data_8100760: NOTE, '_chemical_melting_point' value '104\/oC' was changed to '377.15' - it was converted from degrees Celsius(C) to Kelvins(K).
< scripts/cod_predeposition_check: tests/inputs/8100760.cif: NOTE, 1 WARNING(s) encountered.
tests/cases/cod_predeposition_check_016.opt: FAILED:
2,4c2,39
< scripts/cod_predeposition_check: tests/inputs/1000055-wrong-symops.cif data_1000055: WARNING, _publ_section_title is undefined.
< scripts/cod_predeposition_check: tests/inputs/1000055-wrong-symops.cif: NOTE, 4 WARNING(s) encountered.
< scripts/cod_predeposition_check: cif_cod_check encountered 1 warning(s).
---
> scripts/cod_predeposition_check: tests/inputs/1000055-wrong-symops.cif data_1000055: NOTE, tag '_cod_database_code' value '1000055' will be overwritten upon deposition.
> scripts/cod_predeposition_check: tests/inputs/1000055-wrong-symops.cif data_1000055: WARNING, the _cell_formula_units_Z data item is missing -- the Z value will be estimated.
> scripts/cod_predeposition_check: tests/inputs/1000055-wrong-symops.cif data_1000055: WARNING, not enough data to estimate Z; crystal density undefined; molecular weight undefined -- assuming Z = 1.
> scripts/cod_predeposition_check: tests/inputs/1000055-wrong-symops.cif data_1000055: WARNING, the _cell_formula_units_Z data item is missing -- the Z value will be estimated.
> scripts/cod_predeposition_check: tests/inputs/1000055-wrong-symops.cif data_1000055: WARNING, not enough data to estimate Z; crystal density undefined; molecular weight undefined -- assuming Z = 1.
> CIF data_1000055
> CIF loop_
> CIF _publ_author_name
> CIF 'Zavalij, P'
> CIF _journal_name_full               'To be published'
> CIF _chemical_formula_sum            'B6 La'
> CIF _space_group_IT_number           1
> CIF _symmetry_cell_setting           cubic
> CIF _symmetry_equiv_pos_as_xyz       x,y,z
> CIF _symmetry_space_group_name_Hall  'P 1'
> CIF _symmetry_space_group_name_H-M   'P 1'
> CIF _cell_angle_alpha                90.0
> CIF _cell_angle_beta                 90.0
> CIF _cell_angle_gamma                90.0
> CIF _cell_length_a                   4.157597(17)
> CIF _cell_length_b                   4.157597
> CIF _cell_length_c                   4.157597
> CIF _cell_volume                     71.8666(3)
> CIF _cod_data_source_file            1000055-wrong-symops.cif
> CIF _cod_data_source_block           1000055
> CIF _cod_original_sg_symbol_H-M      'P m 3 m'
> CIF _cod_database_code               1000055
> CIF loop_
> CIF _atom_site_label
> CIF _atom_site_fract_x
> CIF _atom_site_fract_y
> CIF _atom_site_fract_z
> CIF _atom_site_occupancy
> CIF _atom_site_thermal_displace_type
> CIF _atom_site_U_iso_or_equiv
> CIF _atom_site_symmetry_multiplicity
> CIF La .0 .0 .0 1.0 Uiso .00858(29) 1
> CIF B .5 .5 .2021(12) 1.0 Uiso .0090(11) 6
tests/cases/cod_predeposition_check_017.opt: FAILED:
1,4c1
< scripts/cod_predeposition_check: tests/inputs/2009397-stray-values-at-start.cif(1): WARNING, stray CIF values at the beginning of the input file.
< scripts/cod_predeposition_check: tests/inputs/2009397-stray-values-at-start.cif: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/2009397-stray-values-at-start.cif data_2009397: WARNING, the space group could not be estimated from the symmetry operators.
< CIF data_2009397
---
> scripts/cod_predeposition_check: tests/inputs/2009397-stray-values-at-start.cif(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/2009397-stray-values-at-start.cif data_2009397: WARNING, the space group could not be estimated from the symmetry operators.CIF data_2009397
tests/cases/cod_predeposition_check_018.opt: FAILED:
1,35c1,1969
< scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif(2,19): NOTE, unallowed symbol in CIF comment was encountered and ignored.
< scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(5): NOTE, single-quoted string is missing a closing quote -- fixed.
< scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(6): NOTE, DOS EOF symbol ^Z was encountered and ignored.
< scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif: NOTE, 1 NOTE(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif: NOTE, 2 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(1): WARNING, _journal_name_full is undefined.
< scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(1): WARNING, _publ_section_title is undefined.
< scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(1): WARNING, neither _journal_year nor _journal_volume is defined.
< scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(1): WARNING, neither _journal_page_first nor _journal_article_reference is defined.
< scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(2): WARNING, _journal_name_full is undefined.
< scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(2): WARNING, _publ_section_title is undefined.
< scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(2): WARNING, neither _journal_year nor _journal_volume is defined.
< scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(2): WARNING, neither _journal_page_first nor _journal_article_reference is defined.
< scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(3): WARNING, _journal_name_full is undefined.
< scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(3): WARNING, _publ_section_title is undefined.
< scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(3): WARNING, neither _journal_year nor _journal_volume is defined.
< scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(3): WARNING, neither _journal_page_first nor _journal_article_reference is defined.
< scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(4): WARNING, _journal_name_full is undefined.
< scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(4): WARNING, _publ_section_title is undefined.
< scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(4): WARNING, neither _journal_year nor _journal_volume is defined.
< scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(4): WARNING, neither _journal_page_first nor _journal_article_reference is defined.
< scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(5): WARNING, _journal_name_full is undefined.
< scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(5): WARNING, _publ_section_title is undefined.
< scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(5): WARNING, neither _journal_year nor _journal_volume is defined.
< scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(5): WARNING, neither _journal_page_first nor _journal_article_reference is defined.
< scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(6): WARNING, _journal_name_full is undefined.
< scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(6): WARNING, _publ_section_title is undefined.
< scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(6): WARNING, neither _journal_year nor _journal_volume is defined.
< scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(6): WARNING, neither _journal_page_first nor _journal_article_reference is defined.
< scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif: NOTE, 24 WARNING(s) encountered.
< scripts/cod_predeposition_check: cif_cod_check encountered 24 warning(s).
< scripts/cod_predeposition_check: tests/inputs/missing-closing-double-quote.cif data_X: NOTE, double-quoted string is missing a closing quote -- fixed.
< scripts/cod_predeposition_check: tests/inputs/missing-closing-double-quote.cif: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/missing-closing-double-quote.cif: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/missing-closing-double-quote.cif: ERROR, file became empty after filtering with cif_filter.
---
> scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif(2,19): NOTE, unallowed symbol in CIF comment was encountered and ignored.scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif(1670) data_(5): WARNING, single-quoted string is missing a closing quote -- fixed.scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif(2321) data_(6): WARNING, DOS EOF symbol ^Z was encountered and ignored.scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(1): WARNING, data item '_publ_section_title' is absent.
> scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(2): WARNING, data item '_publ_section_title' is absent.
> scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(3): WARNING, data item '_publ_section_title' is absent.
> scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(4): WARNING, data item '_publ_section_title' is absent.
> scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(5): WARNING, data item '_publ_section_title' is absent.
> scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(6): WARNING, data item '_publ_section_title' is absent.
> scripts/cod_predeposition_check: tests/inputs/missing-closing-double-quote.cif(2) data_X: WARNING, double-quoted string is missing a closing quote -- fixed.scripts/cod_predeposition_check: tests/inputs/missing-closing-double-quote.cif: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/missing-closing-double-quote.cif: ERROR, file became empty after filtering with cif_filter.
> CIF data_(1)
> CIF _chemical_formula_sum            'C6 H8 N2 O3'
> CIF _chemical_formula_weight         156.14
> CIF _chemical_name_systematic
> CIF ; 
> CIF 1,3-dimethylbarbituric acid
> CIF ;
> CIF _space_group_IT_number           43
> CIF _symmetry_cell_setting           orthorhombic
> CIF _symmetry_space_group_name_Hall  'F 2 -2d'
> CIF _symmetry_space_group_name_H-M   'F d d 2'
> CIF _atom_sites_solution_hydrogens   difmap
> CIF _atom_sites_solution_primary     direct
> CIF _atom_sites_solution_secondary   difmap
> CIF _audit_creation_method           SHELXL-97
> CIF _cell_angle_alpha                90.00
> CIF _cell_angle_beta                 90.00
> CIF _cell_angle_gamma                90.00
> CIF _cell_formula_units_Z            16
> CIF _cell_length_a                   15.642(3)
> CIF _cell_length_b                   29.006(6)
> CIF _cell_length_c                   6.5560(11)
> CIF _cell_measurement_reflns_used    1708
> CIF _cell_measurement_temperature    293(2)
> CIF _cell_measurement_theta_max      27.83
> CIF _cell_measurement_theta_min      2.81
> CIF _cell_volume                     2974.5(10)
> CIF _computing_cell_refinement       'Denzo-SMN (Otwinowski & Minor, 1997)'
> CIF _computing_data_collection       'Kappa CCD server software (Nonius, 1997)'
> CIF _computing_data_reduction        Denzo-SMN
> CIF _computing_molecular_graphics    'ORTEP II (C.K. Johnson, 1976)'
> CIF _computing_publication_material
> CIF ; 
> CIF SHELXL-97 (Sheldrick, 1997); PARST (Nardelli, 1983, 1995)
> CIF ;
> CIF _computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
> CIF _computing_structure_solution    'SIR92 (Altomare et al., 1994)'
> CIF _diffrn_ambient_temperature      293(2)
> CIF _diffrn_measured_fraction_theta_full 0.995
> CIF _diffrn_measured_fraction_theta_max 0.995
> CIF _diffrn_measurement_device_type  'Nonius Kappa CCD'
> CIF _diffrn_measurement_method       '\f scans and \w scans with \k offsets'
> CIF _diffrn_radiation_monochromator  graphite
> CIF _diffrn_radiation_source         'fine-focus sealed tube'
> CIF _diffrn_radiation_type           MoK\a
> CIF _diffrn_radiation_wavelength     0.71070
> CIF _diffrn_reflns_av_R_equivalents  0.0263
> CIF _diffrn_reflns_av_sigmaI/netI    0.0453
> CIF _diffrn_reflns_limit_h_max       20
> CIF _diffrn_reflns_limit_h_min       0
> CIF _diffrn_reflns_limit_k_max       37
> CIF _diffrn_reflns_limit_k_min       0
> CIF _diffrn_reflns_limit_l_max       8
> CIF _diffrn_reflns_limit_l_min       -8
> CIF _diffrn_reflns_number            1708
> CIF _diffrn_reflns_theta_full        27.83
> CIF _diffrn_reflns_theta_max         27.83
> CIF _diffrn_reflns_theta_min         2.81
> CIF _exptl_absorpt_coefficient_mu    0.113
> CIF _exptl_absorpt_correction_type   none
> CIF _exptl_crystal_colour            colourless
> CIF _exptl_crystal_density_diffrn    1.395
> CIF _exptl_crystal_density_method    'not measured'
> CIF _exptl_crystal_description       needle
> CIF _exptl_crystal_F_000             1312
> CIF _exptl_crystal_size_max          0.48
> CIF _exptl_crystal_size_mid          0.15
> CIF _exptl_crystal_size_min          0.12
> CIF _refine_diff_density_max         0.163
> CIF _refine_diff_density_min         -0.137
> CIF _refine_diff_density_rms         0.035
> CIF _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
> CIF _refine_ls_abs_structure_Flack   0(3)
> CIF _refine_ls_extinction_coef       0.0051(12)
> CIF _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
> CIF _refine_ls_extinction_method     SHELXL
> CIF _refine_ls_goodness_of_fit_ref   1.045
> CIF _refine_ls_hydrogen_treatment    mixed
> CIF _refine_ls_matrix_type           full
> CIF _refine_ls_number_parameters     110
> CIF _refine_ls_number_reflns         957
> CIF _refine_ls_number_restraints     0
> CIF _refine_ls_restrained_S_all      1.045
> CIF _refine_ls_R_factor_all          0.0809
> CIF _refine_ls_R_factor_gt           0.0461
> CIF _refine_ls_shift/su_max          0.005
> CIF _refine_ls_shift/su_mean         0.000
> CIF _refine_ls_structure_factor_coef Fsqd
> CIF _refine_ls_weighting_details
> CIF 'calc w=1/[\s^2^(Fo^2^)+(0.0709P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
> CIF _refine_ls_weighting_scheme      calc
> CIF _refine_ls_wR_factor_gt          0.1112
> CIF _refine_ls_wR_factor_ref         0.1257
> CIF _reflns_number_gt                628
> CIF _reflns_number_total             957
> CIF _reflns_threshold_expression     I>2sigma(I)
> CIF _cod_data_source_file            b008262g-missing-closing-quote.cif
> CIF _cod_data_source_block           (1)
> CIF _cod_original_cell_volume        2974.5(9)
> CIF loop_
> CIF _symmetry_equiv_pos_as_xyz
> CIF 'x, y, z'
> CIF '-x, -y, z'
> CIF '-x+1/4, y+1/4, z+1/4'
> CIF 'x+1/4, -y+1/4, z+1/4'
> CIF 'x, y+1/2, z+1/2'
> CIF '-x, -y+1/2, z+1/2'
> CIF '-x+1/4, y+3/4, z+3/4'
> CIF 'x+1/4, -y+3/4, z+3/4'
> CIF 'x+1/2, y, z+1/2'
> CIF '-x+1/2, -y, z+1/2'
> CIF '-x+3/4, y+1/4, z+3/4'
> CIF 'x+3/4, -y+1/4, z+3/4'
> CIF 'x+1/2, y+1/2, z'
> CIF '-x+1/2, -y+1/2, z'
> CIF '-x+3/4, y+3/4, z+1/4'
> CIF 'x+3/4, -y+3/4, z+1/4'
> CIF loop_
> CIF _atom_site_label
> CIF _atom_site_type_symbol
> CIF _atom_site_fract_x
> CIF _atom_site_fract_y
> CIF _atom_site_fract_z
> CIF _atom_site_U_iso_or_equiv
> CIF _atom_site_adp_type
> CIF _atom_site_occupancy
> CIF _atom_site_symmetry_multiplicity
> CIF _atom_site_calc_flag
> CIF _atom_site_refinement_flags
> CIF O1 O 0.34443(14) 0.17842(9) 0.4865(6) 0.0993(9) Uani 1 1 d .
> CIF O2 O 0.64331(13) 0.16451(8) 0.4796(6) 0.0935(9) Uani 1 1 d .
> CIF O3 O 0.49938(12) 0.22113(8) -0.0580 0.0853(8) Uani 1 1 d .
> CIF N1 N 0.42045(12) 0.19609(7) 0.2051(5) 0.0612(7) Uani 1 1 d .
> CIF N2 N 0.57148(13) 0.18856(7) 0.2021(5) 0.0583(6) Uani 1 1 d .
> CIF C1 C 0.41323(16) 0.18015(9) 0.4021(6) 0.0633(8) Uani 1 1 d .
> CIF C2 C 0.49270(17) 0.16483(13) 0.5043(6) 0.0681(8) Uani 1 1 d .
> CIF H21 H 0.4984(16) 0.1776(11) 0.634(8) 0.081(10) Uiso 1 1 d .
> CIF H22 H 0.4861(15) 0.1315(15) 0.528(6) 0.097(12) Uiso 1 1 d .
> CIF C3 C 0.57522(16) 0.17251(8) 0.3979(5) 0.0599(8) Uani 1 1 d .
> CIF C4 C 0.49722(15) 0.20284(9) 0.1067(6) 0.0568(7) Uani 1 1 d .
> CIF C5 C 0.34280(18) 0.21019(13) 0.0968(8) 0.1005(13) Uani 1 1 d .
> CIF H51 H 0.2940 0.1956 0.1578 0.121 Uiso 1 1 calc R
> CIF H52 H 0.3469 0.2012 -0.0437 0.121 Uiso 1 1 calc R
> CIF H53 H 0.3365 0.2431 0.1055 0.121 Uiso 1 1 calc R
> CIF C6 C 0.65163(19) 0.19580(13) 0.0899(7) 0.0929(12) Uani 1 1 d .
> CIF H61 H 0.6445 0.1860 -0.0490 0.111 Uiso 1 1 calc R
> CIF H62 H 0.6965 0.1782 0.1525 0.111 Uiso 1 1 calc R
> CIF H63 H 0.6663 0.2279 0.0929 0.111 Uiso 1 1 calc R
> CIF loop_
> CIF _atom_site_aniso_label
> CIF _atom_site_aniso_U_11
> CIF _atom_site_aniso_U_22
> CIF _atom_site_aniso_U_33
> CIF _atom_site_aniso_U_23
> CIF _atom_site_aniso_U_13
> CIF _atom_site_aniso_U_12
> CIF O1 0.0609(14) 0.1205(18) 0.117(2) -0.0082(18) 0.0330(14) -0.0051(11)
> CIF O2 0.0598(13) 0.1095(17) 0.111(2) 0.0307(17) -0.0237(13) -0.0005(11)
> CIF O3 0.0970(16) 0.0994(15) 0.0597(14) 0.0130(13) -0.0064(11) -0.0044(11)
> CIF N1 0.0434(12) 0.0647(12) 0.0754(17) 0.0032(14) -0.0072(11) -0.0008(8)
> CIF N2 0.0441(12) 0.0686(12) 0.0621(14) 0.0011(12) 0.0093(10) 0.0052(9)
> CIF C1 0.0502(15) 0.0662(15) 0.073(2) -0.0082(15) 0.0132(14) -0.0031(11)
> CIF C2 0.0655(19) 0.080(2) 0.0589(18) 0.0068(17) 0.0058(15) -0.0057(14)
> CIF C3 0.0487(14) 0.0608(14) 0.070(2) 0.0032(14) -0.0020(13) -0.0013(11)
> CIF C4 0.0588(17) 0.0603(14) 0.0513(16) -0.0014(15) -0.0040(13) -0.0026(11)
> CIF C5 0.0561(19) 0.104(2) 0.141(4) 0.025(3) -0.026(2) -0.0009(17)
> CIF C6 0.0591(19) 0.114(3) 0.106(3) 0.010(2) 0.0314(18) 0.0055(17)
> CIF loop_
> CIF _atom_type_symbol
> CIF _atom_type_description
> CIF _atom_type_scat_dispersion_real
> CIF _atom_type_scat_dispersion_imag
> CIF _atom_type_scat_source
> CIF C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF loop_
> CIF _geom_angle_atom_site_label_1
> CIF _geom_angle_atom_site_label_2
> CIF _geom_angle_atom_site_label_3
> CIF _geom_angle
> CIF C1 N1 C4 124.0(2)
> CIF C1 N1 C5 118.7(3)
> CIF C4 N1 C5 117.2(3)
> CIF C3 N2 C4 124.2(2)
> CIF C3 N2 C6 118.9(3)
> CIF C4 N2 C6 116.6(3)
> CIF O1 C1 N1 121.0(3)
> CIF O1 C1 C2 121.8(3)
> CIF N1 C1 C2 117.2(2)
> CIF C1 C2 C3 118.2(3)
> CIF C1 C2 H21 112.0(18)
> CIF C3 C2 H21 106.7(17)
> CIF C1 C2 H22 106.0(16)
> CIF C3 C2 H22 108.2(16)
> CIF H21 C2 H22 105(3)
> CIF O2 C3 N2 121.1(3)
> CIF O2 C3 C2 121.7(3)
> CIF N2 C3 C2 117.1(2)
> CIF O3 C4 N1 120.5(2)
> CIF O3 C4 N2 120.9(2)
> CIF N1 C4 N2 118.6(2)
> CIF N1 C5 H51 109.5
> CIF N1 C5 H52 109.5
> CIF H51 C5 H52 109.5
> CIF N1 C5 H53 109.5
> CIF H51 C5 H53 109.5
> CIF H52 C5 H53 109.5
> CIF N2 C6 H61 109.5
> CIF N2 C6 H62 109.5
> CIF H61 C6 H62 109.5
> CIF N2 C6 H63 109.5
> CIF H61 C6 H63 109.5
> CIF H62 C6 H63 109.5
> CIF loop_
> CIF _geom_bond_atom_site_label_1
> CIF _geom_bond_atom_site_label_2
> CIF _geom_bond_distance
> CIF O1 C1 1.211(3)
> CIF O2 C3 1.215(3)
> CIF O3 C4 1.204(4)
> CIF N1 C1 1.376(4)
> CIF N1 C4 1.377(3)
> CIF N1 C5 1.465(4)
> CIF N2 C3 1.366(4)
> CIF N2 C4 1.383(3)
> CIF N2 C6 1.469(3)
> CIF C1 C2 1.481(4)
> CIF C2 C3 1.484(4)
> CIF C2 H21 0.93(5)
> CIF C2 H22 0.98(4)
> CIF C5 H51 0.9600
> CIF C5 H52 0.9600
> CIF C5 H53 0.9600
> CIF C6 H61 0.9600
> CIF C6 H62 0.9600
> CIF C6 H63 0.9600
> CIF data_(2)
> CIF _chemical_formula_sum            'C12 H15 N5 O5'
> CIF _chemical_formula_weight         309.29
> CIF _chemical_name_systematic
> CIF ; 
> CIF 1,3-dimethylbarbituric acid . o-nitrophenylhydrazine
> CIF ;
> CIF _space_group_IT_number           2
> CIF _symmetry_cell_setting           triclinic
> CIF _symmetry_space_group_name_Hall  '-P 1'
> CIF _symmetry_space_group_name_H-M   'P -1'
> CIF _atom_sites_solution_hydrogens   difmap
> CIF _atom_sites_solution_primary     direct
> CIF _atom_sites_solution_secondary   difmap
> CIF _audit_creation_method           SHELXL-97
> CIF _cell_angle_alpha                104.73(2)
> CIF _cell_angle_beta                 116.10(2)
> CIF _cell_angle_gamma                73.34(2)
> CIF _cell_formula_units_Z            2
> CIF _cell_length_a                   8.181(2)
> CIF _cell_length_b                   12.891(2)
> CIF _cell_length_c                   7.758(2)
> CIF _cell_measurement_reflns_used    25
> CIF _cell_measurement_temperature    293(2)
> CIF _cell_measurement_theta_max      14
> CIF _cell_measurement_theta_min      9
> CIF _cell_volume                     696.0(3)
> CIF _computing_cell_refinement       'CAD4 Enraf-Nonius, 1984'
> CIF _computing_data_collection       'CAD4 Enraf-Nonius, 1984'
> CIF _computing_data_reduction        'MolEN, C.K. Fair, Enraf-Nonius, 1990'
> CIF _computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
> CIF _computing_publication_material
> CIF ;
> CIF SHELXL-97 (Sheldrick, 1997), PARST (Nardelli, 1983, 1995)
> CIF ;
> CIF _computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
> CIF _computing_structure_solution    'SIR92 (Altomare et al., 1994)'
> CIF _diffrn_ambient_temperature      293(2)
> CIF _diffrn_measured_fraction_theta_full 0.998
> CIF _diffrn_measured_fraction_theta_max 0.998
> CIF _diffrn_measurement_device_type  'Enraf-Nonius CAD4'
> CIF _diffrn_measurement_method       \w/2\q
> CIF _diffrn_radiation_monochromator  graphite
> CIF _diffrn_radiation_source         'fine-focus sealed tube'
> CIF _diffrn_radiation_type           MoK\a
> CIF _diffrn_radiation_wavelength     0.71073
> CIF _diffrn_reflns_av_R_equivalents  0.013
> CIF _diffrn_reflns_av_sigmaI/netI    0.0333
> CIF _diffrn_reflns_limit_h_max       10
> CIF _diffrn_reflns_limit_h_min       0
> CIF _diffrn_reflns_limit_k_max       16
> CIF _diffrn_reflns_limit_k_min       -15
> CIF _diffrn_reflns_limit_l_max       8
> CIF _diffrn_reflns_limit_l_min       -9
> CIF _diffrn_reflns_number            3241
> CIF _diffrn_reflns_theta_full        26.98
> CIF _diffrn_reflns_theta_max         26.98
> CIF _diffrn_reflns_theta_min         2.83
> CIF _diffrn_standards_decay_%        0
> CIF _diffrn_standards_interval_time  120
> CIF _diffrn_standards_number         3
> CIF _exptl_absorpt_coefficient_mu    0.117
> CIF _exptl_absorpt_correction_type   none
> CIF _exptl_crystal_colour            red
> CIF _exptl_crystal_density_diffrn    1.476
> CIF _exptl_crystal_density_method    'not measured'
> CIF _exptl_crystal_description       irregular
> CIF _exptl_crystal_F_000             324
> CIF _exptl_crystal_size_max          0.35
> CIF _exptl_crystal_size_mid          0.25
> CIF _exptl_crystal_size_min          0.20
> CIF _refine_diff_density_max         0.229
> CIF _refine_diff_density_min         -0.239
> CIF _refine_diff_density_rms         0.046
> CIF _refine_ls_extinction_method     none
> CIF _refine_ls_goodness_of_fit_ref   1.015
> CIF _refine_ls_hydrogen_treatment    refall
> CIF _refine_ls_matrix_type           full
> CIF _refine_ls_number_parameters     259
> CIF _refine_ls_number_reflns         3026
> CIF _refine_ls_number_restraints     0
> CIF _refine_ls_restrained_S_all      1.015
> CIF _refine_ls_R_factor_all          0.0823
> CIF _refine_ls_R_factor_gt           0.0480
> CIF _refine_ls_shift/su_max          0.030
> CIF _refine_ls_shift/su_mean         0.004
> CIF _refine_ls_structure_factor_coef Fsqd
> CIF _refine_ls_weighting_details
> CIF 'calc w=1/[\s^2^(Fo^2^)+(0.0784P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
> CIF _refine_ls_weighting_scheme      calc
> CIF _refine_ls_wR_factor_gt          0.1215
> CIF _refine_ls_wR_factor_ref         0.1345
> CIF _reflns_number_gt                1947
> CIF _reflns_number_total             3026
> CIF _reflns_threshold_expression     I>2sigma(I)
> CIF _cod_data_source_file            b008262g-missing-closing-quote.cif
> CIF _cod_data_source_block           (2)
> CIF loop_
> CIF _symmetry_equiv_pos_as_xyz
> CIF 'x, y, z'
> CIF '-x, -y, -z'
> CIF loop_
> CIF _atom_site_label
> CIF _atom_site_type_symbol
> CIF _atom_site_fract_x
> CIF _atom_site_fract_y
> CIF _atom_site_fract_z
> CIF _atom_site_U_iso_or_equiv
> CIF _atom_site_adp_type
> CIF _atom_site_occupancy
> CIF _atom_site_symmetry_multiplicity
> CIF _atom_site_calc_flag
> CIF O1 O 0.2781(2) 0.54740(14) 0.3405(3) 0.0796(5) Uani 1 1 d
> CIF O2 O 0.7991(2) 0.64795(14) 0.3842(3) 0.0713(5) Uani 1 1 d
> CIF O3 O 0.3919(2) 0.88430(13) 0.6129(2) 0.0666(4) Uani 1 1 d
> CIF N1 N 0.3345(2) 0.71460(13) 0.4789(2) 0.0457(4) Uani 1 1 d
> CIF N2 N 0.5924(2) 0.76984(13) 0.4906(2) 0.0444(4) Uani 1 1 d
> CIF C1 C 0.3689(3) 0.61484(17) 0.3753(3) 0.0500(5) Uani 1 1 d
> CIF C2 C 0.5178(3) 0.59508(19) 0.3029(4) 0.0552(5) Uani 1 1 d
> CIF C3 C 0.6504(3) 0.67064(16) 0.3963(3) 0.0472(5) Uani 1 1 d
> CIF C4 C 0.4360(2) 0.79576(16) 0.5313(3) 0.0437(4) Uani 1 1 d
> CIF C5 C 0.1777(4) 0.7418(3) 0.5384(5) 0.0673(7) Uani 1 1 d
> CIF C6 C 0.7044(4) 0.8543(2) 0.5577(4) 0.0609(6) Uani 1 1 d
> CIF O4 O 0.5048(2) 0.19205(16) -0.0609(3) 0.0771(5) Uani 1 1 d
> CIF O5 O 0.4009(2) 0.34162(15) 0.0905(3) 0.0713(5) Uani 1 1 d
> CIF N3 N 0.0813(3) 0.37355(15) 0.1142(3) 0.0556(5) Uani 1 1 d
> CIF N4 N -0.0704(3) 0.42941(19) 0.1649(4) 0.0674(6) Uani 1 1 d
> CIF N5 N 0.3865(2) 0.24842(16) -0.0004(2) 0.0545(4) Uani 1 1 d
> CIF C7 C 0.0836(2) 0.27006(15) 0.0205(3) 0.0419(4) Uani 1 1 d
> CIF C8 C 0.2291(3) 0.20606(16) -0.0355(3) 0.0458(4) Uani 1 1 d
> CIF C9 C 0.2256(4) 0.09852(18) -0.1287(3) 0.0606(6) Uani 1 1 d
> CIF C10 C 0.0791(4) 0.0533(2) -0.1718(4) 0.0726(7) Uani 1 1 d
> CIF C11 C -0.0664(4) 0.11419(18) -0.1210(3) 0.0622(6) Uani 1 1 d
> CIF C12 C -0.0654(3) 0.21847(18) -0.0275(3) 0.0502(5) Uani 1 1 d
> CIF H21 H 0.578(3) 0.521(2) 0.303(3) 0.061(6) Uiso 1 1 d
> CIF H22 H 0.454(4) 0.604(2) 0.163(5) 0.096(9) Uiso 1 1 d
> CIF H30 H 0.175(4) 0.399(2) 0.153(4) 0.067(7) Uiso 1 1 d
> CIF H410 H -0.113(5) 0.488(3) 0.124(5) 0.115(13) Uiso 1 1 d
> CIF H420 H -0.031(5) 0.441(3) 0.293(5) 0.103(11) Uiso 1 1 d
> CIF H51 H 0.083(6) 0.798(4) 0.486(6) 0.141(15) Uiso 1 1 d
> CIF H52 H 0.219(5) 0.740(3) 0.676(6) 0.124(12) Uiso 1 1 d
> CIF H53 H 0.133(8) 0.678(5) 0.493(9) 0.21(2) Uiso 1 1 d
> CIF H61 H 0.669(5) 0.899(3) 0.471(5) 0.120(12) Uiso 1 1 d
> CIF H62 H 0.718(6) 0.887(3) 0.685(6) 0.142(14) Uiso 1 1 d
> CIF H63 H 0.827(6) 0.823(3) 0.612(5) 0.127(13) Uiso 1 1 d
> CIF H9 H 0.325(3) 0.058(2) -0.164(3) 0.067(7) Uiso 1 1 d
> CIF H10 H 0.078(4) -0.016(2) -0.231(4) 0.086(8) Uiso 1 1 d
> CIF H11 H -0.172(4) 0.089(2) -0.148(4) 0.077(8) Uiso 1 1 d
> CIF H12 H -0.163(3) 0.2615(19) 0.004(3) 0.061(7) Uiso 1 1 d
> CIF loop_
> CIF _atom_site_aniso_label
> CIF _atom_site_aniso_U_11
> CIF _atom_site_aniso_U_22
> CIF _atom_site_aniso_U_33
> CIF _atom_site_aniso_U_23
> CIF _atom_site_aniso_U_13
> CIF _atom_site_aniso_U_12
> CIF O1 0.0767(11) 0.0714(11) 0.1067(14) -0.0162(9) 0.0493(10) -0.0430(9)
> CIF O2 0.0503(8) 0.0755(11) 0.0982(12) -0.0016(9) 0.0471(9) -0.0113(7)
> CIF O3 0.0667(10) 0.0576(9) 0.0826(11) -0.0164(8) 0.0470(9) -0.0176(7)
> CIF N1 0.0360(8) 0.0572(10) 0.0502(9) 0.0015(7) 0.0228(7) -0.0146(7)
> CIF N2 0.0394(8) 0.0506(9) 0.0502(9) 0.0035(7) 0.0225(7) -0.0148(7)
> CIF C1 0.0432(10) 0.0522(12) 0.0564(12) -0.0014(9) 0.0220(9) -0.0170(9)
> CIF C2 0.0576(12) 0.0443(12) 0.0718(15) -0.0030(10) 0.0388(12) -0.0107(10)
> CIF C3 0.0430(10) 0.0510(11) 0.0544(11) 0.0067(9) 0.0276(9) -0.0067(8)
> CIF C4 0.0415(9) 0.0470(11) 0.0434(10) 0.0007(8) 0.0198(8) -0.0108(8)
> CIF C5 0.0470(12) 0.0880(19) 0.0813(18) 0.0014(15) 0.0406(13) -0.0195(13)
> CIF C6 0.0613(14) 0.0642(15) 0.0684(16) 0.0012(12) 0.0278(12) -0.0330(12)
> CIF O4 0.0600(9) 0.0971(13) 0.0867(12) 0.0101(10) 0.0492(9) -0.0044(9)
> CIF O5 0.0619(9) 0.0761(11) 0.0860(11) -0.0118(9) 0.0407(9) -0.0308(8)
> CIF N3 0.0482(10) 0.0493(10) 0.0744(12) -0.0069(8) 0.0343(9) -0.0148(8)
> CIF N4 0.0573(12) 0.0575(13) 0.0924(17) -0.0035(12) 0.0450(12) -0.0068(10)
> CIF N5 0.0482(9) 0.0688(12) 0.0535(10) 0.0116(9) 0.0262(8) -0.0098(8)
> CIF C7 0.0417(9) 0.0436(10) 0.0432(10) 0.0078(8) 0.0191(8) -0.0080(8)
> CIF C8 0.0477(10) 0.0500(11) 0.0447(10) 0.0081(8) 0.0234(8) -0.0077(8)
> CIF C9 0.0752(15) 0.0516(13) 0.0643(14) 0.0017(10) 0.0418(12) -0.0094(11)
> CIF C10 0.100(2) 0.0452(13) 0.0801(17) -0.0056(12) 0.0463(15) -0.0214(13)
> CIF C11 0.0745(15) 0.0535(13) 0.0664(14) 0.0050(11) 0.0277(12) -0.0281(12)
> CIF C12 0.0475(11) 0.0523(12) 0.0563(12) 0.0109(10) 0.0218(10) -0.0135(9)
> CIF loop_
> CIF _atom_type_symbol
> CIF _atom_type_description
> CIF _atom_type_scat_dispersion_real
> CIF _atom_type_scat_dispersion_imag
> CIF _atom_type_scat_source
> CIF O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF loop_
> CIF _geom_angle_atom_site_label_1
> CIF _geom_angle_atom_site_label_2
> CIF _geom_angle_atom_site_label_3
> CIF _geom_angle
> CIF C1 N1 C4 124.52(15)
> CIF C1 N1 C5 119.04(18)
> CIF C4 N1 C5 116.43(18)
> CIF C3 N2 C4 124.19(16)
> CIF C3 N2 C6 118.80(17)
> CIF C4 N2 C6 116.99(18)
> CIF O1 C1 N1 120.64(19)
> CIF O1 C1 C2 122.4(2)
> CIF N1 C1 C2 116.95(17)
> CIF C3 C2 C1 116.69(19)
> CIF C3 C2 H21 112.5(14)
> CIF C1 C2 H21 109.3(14)
> CIF C3 C2 H22 106.0(16)
> CIF C1 C2 H22 106.9(15)
> CIF H21 C2 H22 105(2)
> CIF O2 C3 N2 121.31(19)
> CIF O2 C3 C2 121.99(19)
> CIF N2 C3 C2 116.64(16)
> CIF O3 C4 N2 121.02(18)
> CIF O3 C4 N1 121.20(17)
> CIF N2 C4 N1 117.75(16)
> CIF N1 C5 H51 117(3)
> CIF N1 C5 H52 112(2)
> CIF H51 C5 H52 117(3)
> CIF N1 C5 H53 102(4)
> CIF H51 C5 H53 108(4)
> CIF H52 C5 H53 98(4)
> CIF N2 C6 H61 113(2)
> CIF N2 C6 H62 110(2)
> CIF H61 C6 H62 117(3)
> CIF N2 C6 H63 109(2)
> CIF H61 C6 H63 119(3)
> CIF H62 C6 H63 85(3)
> CIF C7 N3 N4 119.18(18)
> CIF C7 N3 H30 118.6(18)
> CIF N4 N3 H30 121.6(18)
> CIF N3 N4 H410 109(2)
> CIF N3 N4 H420 109(2)
> CIF H410 N4 H420 109(3)
> CIF O4 N5 O5 121.03(19)
> CIF O4 N5 C8 119.67(19)
> CIF O5 N5 C8 119.31(16)
> CIF N3 C7 C8 124.00(18)
> CIF N3 C7 C12 120.27(18)
> CIF C8 C7 C12 115.73(18)
> CIF C9 C8 C7 121.42(19)
> CIF C9 C8 N5 116.76(18)
> CIF C7 C8 N5 121.82(18)
> CIF C10 C9 C8 120.4(2)
> CIF C10 C9 H9 120.0(15)
> CIF C8 C9 H9 119.6(15)
> CIF C9 C10 C11 119.6(2)
> CIF C9 C10 H10 120.2(18)
> CIF C11 C10 H10 120.2(18)
> CIF C12 C11 C10 121.3(2)
> CIF C12 C11 H11 114.2(17)
> CIF C10 C11 H11 124.5(17)
> CIF C11 C12 C7 121.5(2)
> CIF C11 C12 H12 122.9(15)
> CIF C7 C12 H12 115.5(15)
> CIF loop_
> CIF _geom_bond_atom_site_label_1
> CIF _geom_bond_atom_site_label_2
> CIF _geom_bond_distance
> CIF O1 C1 1.206(2)
> CIF O2 C3 1.208(2)
> CIF O3 C4 1.196(2)
> CIF N1 C1 1.358(3)
> CIF N1 C4 1.391(2)
> CIF N1 C5 1.470(3)
> CIF N2 C3 1.370(2)
> CIF N2 C4 1.381(2)
> CIF N2 C6 1.469(3)
> CIF C1 C2 1.488(3)
> CIF C2 C3 1.485(3)
> CIF C2 H21 0.94(2)
> CIF C2 H22 1.00(3)
> CIF C5 H51 0.91(4)
> CIF C5 H52 0.97(4)
> CIF C5 H53 0.92(6)
> CIF C6 H61 0.89(3)
> CIF C6 H62 0.94(4)
> CIF C6 H63 0.91(4)
> CIF O4 N5 1.228(2)
> CIF O5 N5 1.238(2)
> CIF N3 C7 1.347(3)
> CIF N3 N4 1.409(3)
> CIF N3 H30 0.82(3)
> CIF N4 H410 0.82(3)
> CIF N4 H420 0.88(3)
> CIF N5 C8 1.432(3)
> CIF C7 C8 1.412(3)
> CIF C7 C12 1.417(3)
> CIF C8 C9 1.393(3)
> CIF C9 C10 1.355(4)
> CIF C9 H9 0.95(3)
> CIF C10 C11 1.381(4)
> CIF C10 H10 0.90(3)
> CIF C11 C12 1.356(3)
> CIF C11 H11 0.93(3)
> CIF C12 H12 0.92(2)
> CIF data_(3)
> CIF _chemical_formula_sum            'C12 H14 N4 O5'
> CIF _chemical_formula_weight         294.27
> CIF _chemical_name_systematic
> CIF ; 
> CIF 1,3-Dimethyibarbituric acid . p-nitroaniline
> CIF ;
> CIF _space_group_IT_number           14
> CIF _symmetry_cell_setting           monoclinic
> CIF _symmetry_space_group_name_Hall  '-P 2ybc'
> CIF _symmetry_space_group_name_H-M   'P 1 21/c 1'
> CIF _atom_sites_solution_hydrogens   difmap
> CIF _atom_sites_solution_primary     direct
> CIF _atom_sites_solution_secondary   difmap
> CIF _audit_creation_method           SHELXL-97
> CIF _cell_angle_alpha                90.00
> CIF _cell_angle_beta                 97.10(2)
> CIF _cell_angle_gamma                90.00
> CIF _cell_formula_units_Z            4
> CIF _cell_length_a                   7.586(2)
> CIF _cell_length_b                   16.547(2)
> CIF _cell_length_c                   10.856(2)
> CIF _cell_measurement_reflns_used    25
> CIF _cell_measurement_temperature    293(2)
> CIF _cell_measurement_theta_max      13
> CIF _cell_measurement_theta_min      8
> CIF _cell_volume                     1352.3(5)
> CIF _computing_cell_refinement       'CAD4, Enraf-Nonius, 1984'
> CIF _computing_data_collection       'CAD4, Enraf-Nonius, 1984'
> CIF _computing_data_reduction        'MolEN, C.K. Fair, Enraf-Nonius, 1990'
> CIF _computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
> CIF _computing_publication_material
> CIF ;
> CIF  SHELXL-97 (Sheldrick, 1997), PARST (Nardelli, 1983, 1985)
> CIF ;
> CIF _computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
> CIF _computing_structure_solution    'SIR92 (Altomare et al., 1994)'
> CIF _diffrn_ambient_temperature      293(2)
> CIF _diffrn_measured_fraction_theta_full 0.999
> CIF _diffrn_measured_fraction_theta_max 0.999
> CIF _diffrn_measurement_device_type  'Enraf-Nonius CAD4'
> CIF _diffrn_measurement_method       \w/2\q
> CIF _diffrn_radiation_monochromator  graphite
> CIF _diffrn_radiation_source         'fine-focus sealed tube'
> CIF _diffrn_radiation_type           MoK\a
> CIF _diffrn_radiation_wavelength     0.71073
> CIF _diffrn_reflns_av_R_equivalents  0.017
> CIF _diffrn_reflns_av_sigmaI/netI    0.0315
> CIF _diffrn_reflns_limit_h_max       9
> CIF _diffrn_reflns_limit_h_min       0
> CIF _diffrn_reflns_limit_k_max       21
> CIF _diffrn_reflns_limit_k_min       0
> CIF _diffrn_reflns_limit_l_max       13
> CIF _diffrn_reflns_limit_l_min       -13
> CIF _diffrn_reflns_number            3102
> CIF _diffrn_reflns_theta_full        26.99
> CIF _diffrn_reflns_theta_max         26.99
> CIF _diffrn_reflns_theta_min         2.26
> CIF _diffrn_standards_decay_%        0
> CIF _diffrn_standards_interval_time  120
> CIF _diffrn_standards_number         3
> CIF _exptl_absorpt_coefficient_mu    0.115
> CIF _exptl_absorpt_correction_type   none
> CIF _exptl_crystal_colour            red
> CIF _exptl_crystal_density_diffrn    1.445
> CIF _exptl_crystal_density_method    'not measured'
> CIF _exptl_crystal_description       prismatic
> CIF _exptl_crystal_F_000             616
> CIF _exptl_crystal_size_max          0.52
> CIF _exptl_crystal_size_mid          0.21
> CIF _exptl_crystal_size_min          0.14
> CIF _refine_diff_density_max         0.203
> CIF _refine_diff_density_min         -0.174
> CIF _refine_diff_density_rms         0.039
> CIF _refine_ls_extinction_coef       0.0032(12)
> CIF _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
> CIF _refine_ls_extinction_method     SHELXL
> CIF _refine_ls_goodness_of_fit_ref   1.048
> CIF _refine_ls_hydrogen_treatment    refall
> CIF _refine_ls_matrix_type           full
> CIF _refine_ls_number_parameters     247
> CIF _refine_ls_number_reflns         2943
> CIF _refine_ls_number_restraints     0
> CIF _refine_ls_restrained_S_all      1.048
> CIF _refine_ls_R_factor_all          0.0971
> CIF _refine_ls_R_factor_gt           0.0526
> CIF _refine_ls_shift/su_max          0.030
> CIF _refine_ls_shift/su_mean         0.005
> CIF _refine_ls_structure_factor_coef Fsqd
> CIF _refine_ls_weighting_details
> CIF 'calc w=1/[\s^2^(Fo^2^)+(0.0751P)^2^+0.0920P] where P=(Fo^2^+2Fc^2^)/3'
> CIF _refine_ls_weighting_scheme      calc
> CIF _refine_ls_wR_factor_gt          0.1301
> CIF _refine_ls_wR_factor_ref         0.1469
> CIF _reflns_number_gt                1759
> CIF _reflns_number_total             2943
> CIF _reflns_threshold_expression     I>2sigma(I)
> CIF _cod_data_source_file            b008262g-missing-closing-quote.cif
> CIF _cod_data_source_block           (3)
> CIF _cod_original_sg_symbol_H-M      'P 21 / c'
> CIF loop_
> CIF _symmetry_equiv_pos_as_xyz
> CIF 'x, y, z'
> CIF '-x, y+1/2, -z+1/2'
> CIF '-x, -y, -z'
> CIF 'x, -y-1/2, z-1/2'
> CIF loop_
> CIF _atom_site_label
> CIF _atom_site_type_symbol
> CIF _atom_site_fract_x
> CIF _atom_site_fract_y
> CIF _atom_site_fract_z
> CIF _atom_site_U_iso_or_equiv
> CIF _atom_site_adp_type
> CIF _atom_site_occupancy
> CIF _atom_site_symmetry_multiplicity
> CIF _atom_site_calc_flag
> CIF O1 O -0.1955(3) 0.24075(12) -0.51403(17) 0.0874(6) Uani 1 1 d
> CIF O2 O -0.0949(3) 0.50077(10) -0.35680(17) 0.0796(6) Uani 1 1 d
> CIF O3 O 0.1314(2) 0.28283(11) -0.14507(16) 0.0782(6) Uani 1 1 d
> CIF N1 N -0.0303(2) 0.26034(10) -0.32984(16) 0.0528(5) Uani 1 1 d
> CIF N2 N 0.0153(2) 0.39228(10) -0.24810(15) 0.0507(4) Uani 1 1 d
> CIF C1 C -0.1239(3) 0.28724(13) -0.4382(2) 0.0538(6) Uani 1 1 d
> CIF C2 C -0.1298(4) 0.37502(15) -0.4585(2) 0.0587(6) Uani 1 1 d
> CIF C3 C -0.0713(3) 0.42886(13) -0.3525(2) 0.0524(5) Uani 1 1 d
> CIF C4 C 0.0444(3) 0.31018(13) -0.23617(19) 0.0506(5) Uani 1 1 d
> CIF C5 C -0.0153(6) 0.17269(16) -0.3086(4) 0.0823(9) Uani 1 1 d
> CIF C6 C 0.0792(5) 0.4435(2) -0.1414(3) 0.0824(9) Uani 1 1 d
> CIF O4 O 0.4621(3) -0.07589(11) 0.2220(2) 0.1060(7) Uani 1 1 d
> CIF O5 O 0.6274(3) -0.02321(12) 0.3772(2) 0.1025(7) Uani 1 1 d
> CIF N3 N 0.3974(3) 0.28824(13) 0.0771(2) 0.0676(6) Uani 1 1 d
> CIF N4 N 0.5311(3) -0.01658(12) 0.2778(2) 0.0749(6) Uani 1 1 d
> CIF C7 C 0.4323(3) 0.21424(12) 0.12459(19) 0.0491(5) Uani 1 1 d
> CIF C8 C 0.3705(3) 0.14455(13) 0.0591(2) 0.0545(6) Uani 1 1 d
> CIF C9 C 0.4023(3) 0.06996(14) 0.1088(2) 0.0578(6) Uani 1 1 d
> CIF C10 C 0.4993(3) 0.06201(12) 0.2249(2) 0.0540(5) Uani 1 1 d
> CIF C11 C 0.5638(3) 0.12951(14) 0.2909(2) 0.0552(6) Uani 1 1 d
> CIF C12 C 0.5318(3) 0.20434(12) 0.2412(2) 0.0525(5) Uani 1 1 d
> CIF H21 H -0.058(3) 0.3876(15) -0.519(2) 0.076(8) Uiso 1 1 d
> CIF H22 H -0.241(4) 0.3886(18) -0.498(3) 0.092(9) Uiso 1 1 d
> CIF H31 H 0.337(4) 0.2910(16) 0.011(3) 0.081(9) Uiso 1 1 d
> CIF H32 H 0.441(4) 0.330(2) 0.123(3) 0.094(10) Uiso 1 1 d
> CIF H51 H -0.091(6) 0.158(3) -0.267(4) 0.155(19) Uiso 1 1 d
> CIF H52 H -0.020(6) 0.144(3) -0.382(4) 0.170(18) Uiso 1 1 d
> CIF H53 H 0.095(7) 0.160(3) -0.265(5) 0.19(2) Uiso 1 1 d
> CIF H61 H 0.175(6) 0.426(3) -0.104(4) 0.143(16) Uiso 1 1 d
> CIF H62 H 0.004(6) 0.465(3) -0.106(5) 0.20(2) Uiso 1 1 d
> CIF H63 H 0.135(9) 0.495(4) -0.184(6) 0.26(3) Uiso 1 1 d
> CIF H8 H 0.315(3) 0.1463(14) -0.021(2) 0.067(7) Uiso 1 1 d
> CIF H9 H 0.352(3) 0.0244(18) 0.066(3) 0.088(8) Uiso 1 1 d
> CIF H11 H 0.624(3) 0.1233(14) 0.367(2) 0.064(7) Uiso 1 1 d
> CIF H12 H 0.574(3) 0.2501(15) 0.287(2) 0.053(6) Uiso 1 1 d
> CIF loop_
> CIF _atom_site_aniso_label
> CIF _atom_site_aniso_U_11
> CIF _atom_site_aniso_U_22
> CIF _atom_site_aniso_U_33
> CIF _atom_site_aniso_U_23
> CIF _atom_site_aniso_U_13
> CIF _atom_site_aniso_U_12
> CIF O1 0.0941(13) 0.0808(13) 0.0804(12) -0.0275(10) -0.0174(10) -0.0100(10)
> CIF O2 0.1048(14) 0.0433(9) 0.0905(13) 0.0080(8) 0.0106(10) 0.0042(9)
> CIF O3 0.0850(12) 0.0819(13) 0.0617(10) 0.0128(8) -0.0154(9) 0.0130(9)
> CIF N1 0.0603(11) 0.0394(9) 0.0578(10) 0.0017(8) 0.0041(9) 0.0004(8)
> CIF N2 0.0546(10) 0.0465(10) 0.0490(9) -0.0050(8) -0.0009(7) -0.0018(8)
> CIF C1 0.0501(12) 0.0581(13) 0.0515(12) -0.0078(10) -0.0009(10) -0.0021(10)
> CIF C2 0.0624(15) 0.0611(14) 0.0491(13) 0.0072(10) -0.0074(11) 0.0010(11)
> CIF C3 0.0559(12) 0.0449(12) 0.0567(13) 0.0048(9) 0.0077(10) -0.0016(9)
> CIF C4 0.0474(12) 0.0559(12) 0.0472(11) 0.0049(10) 0.0006(9) 0.0026(9)
> CIF C5 0.112(3) 0.0418(15) 0.094(2) 0.0076(14) 0.015(2) 0.0052(15)
> CIF C6 0.089(2) 0.085(2) 0.0689(18) -0.0301(16) -0.0066(16) -0.0085(18)
> CIF O4 0.1325(19) 0.0451(11) 0.1333(18) 0.0038(11) -0.0123(14) -0.0116(11)
> CIF O5 0.1348(19) 0.0724(13) 0.0920(14) 0.0273(11) -0.0185(13) 0.0118(12)
> CIF N3 0.0807(15) 0.0471(12) 0.0696(14) 0.0018(10) -0.0128(12) 0.0055(10)
> CIF N4 0.0849(15) 0.0514(13) 0.0868(16) 0.0090(11) 0.0043(12) 0.0046(11)
> CIF C7 0.0454(11) 0.0463(12) 0.0539(12) -0.0035(9) -0.0014(9) 0.0023(8)
> CIF C8 0.0534(12) 0.0549(14) 0.0514(12) -0.0083(10) -0.0083(10) 0.0015(9)
> CIF C9 0.0594(13) 0.0448(12) 0.0658(14) -0.0110(10) -0.0051(11) -0.0041(10)
> CIF C10 0.0561(12) 0.0423(11) 0.0622(13) 0.0012(9) 0.0013(10) 0.0020(9)
> CIF C11 0.0586(13) 0.0550(13) 0.0484(12) -0.0028(10) -0.0079(10) 0.0024(10)
> CIF C12 0.0547(12) 0.0427(12) 0.0561(12) -0.0101(9) -0.0087(10) -0.0015(9)
> CIF loop_
> CIF _atom_type_symbol
> CIF _atom_type_description
> CIF _atom_type_scat_dispersion_real
> CIF _atom_type_scat_dispersion_imag
> CIF _atom_type_scat_source
> CIF O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF loop_
> CIF _geom_angle_atom_site_label_1
> CIF _geom_angle_atom_site_label_2
> CIF _geom_angle_atom_site_label_3
> CIF _geom_angle
> CIF C1 N1 C4 124.19(18)
> CIF C1 N1 C5 118.5(2)
> CIF C4 N1 C5 117.3(2)
> CIF C3 N2 C4 124.36(17)
> CIF C3 N2 C6 118.2(2)
> CIF C4 N2 C6 117.4(2)
> CIF O1 C1 N1 121.4(2)
> CIF O1 C1 C2 121.7(2)
> CIF N1 C1 C2 116.93(18)
> CIF C1 C2 C3 118.53(19)
> CIF C1 C2 H21 108.6(16)
> CIF C3 C2 H21 105.7(15)
> CIF C1 C2 H22 108.6(18)
> CIF C3 C2 H22 112.6(18)
> CIF H21 C2 H22 101(2)
> CIF O2 C3 N2 121.4(2)
> CIF O2 C3 C2 122.4(2)
> CIF N2 C3 C2 116.24(19)
> CIF O3 C4 N1 121.0(2)
> CIF O3 C4 N2 120.7(2)
> CIF N1 C4 N2 118.31(17)
> CIF N1 C5 H51 110(3)
> CIF N1 C5 H52 112(3)
> CIF H51 C5 H52 112(4)
> CIF N1 C5 H53 111(3)
> CIF H51 C5 H53 107(4)
> CIF H52 C5 H53 105(4)
> CIF N2 C6 H61 112(3)
> CIF N2 C6 H62 117(4)
> CIF H61 C6 H62 123(4)
> CIF N2 C6 H63 103(4)
> CIF H61 C6 H63 97(4)
> CIF H62 C6 H63 101(5)
> CIF C7 N3 H31 117(2)
> CIF C7 N3 H32 116.6(19)
> CIF H31 N3 H32 126(3)
> CIF O5 N4 O4 121.9(2)
> CIF O5 N4 C10 119.0(2)
> CIF O4 N4 C10 119.0(2)
> CIF N3 C7 C12 120.8(2)
> CIF N3 C7 C8 121.1(2)
> CIF C12 C7 C8 118.04(19)
> CIF C9 C8 C7 121.0(2)
> CIF C9 C8 H8 116.2(15)
> CIF C7 C8 H8 122.6(15)
> CIF C8 C9 C10 119.8(2)
> CIF C8 C9 H9 119.4(17)
> CIF C10 C9 H9 120.7(17)
> CIF C11 C10 C9 120.6(2)
> CIF C11 C10 N4 119.7(2)
> CIF C9 C10 N4 119.7(2)
> CIF C12 C11 C10 119.6(2)
> CIF C12 C11 H11 120.9(15)
> CIF C10 C11 H11 119.4(15)
> CIF C11 C12 C7 120.99(19)
> CIF C11 C12 H12 119.5(13)
> CIF C7 C12 H12 119.5(13)
> CIF loop_
> CIF _geom_bond_atom_site_label_1
> CIF _geom_bond_atom_site_label_2
> CIF _geom_bond_distance
> CIF O1 C1 1.206(3)
> CIF O2 C3 1.203(3)
> CIF O3 C4 1.207(2)
> CIF N1 C1 1.371(3)
> CIF N1 C4 1.376(3)
> CIF N1 C5 1.471(3)
> CIF N2 C3 1.378(3)
> CIF N2 C4 1.380(3)
> CIF N2 C6 1.468(3)
> CIF C1 C2 1.469(3)
> CIF C2 C3 1.480(3)
> CIF C2 H21 0.93(3)
> CIF C2 H22 0.93(3)
> CIF C5 H51 0.81(4)
> CIF C5 H52 0.92(5)
> CIF C5 H53 0.93(6)
> CIF C6 H61 0.84(4)
> CIF C6 H62 0.81(5)
> CIF C6 H63 1.09(7)
> CIF O4 N4 1.235(3)
> CIF O5 N4 1.231(3)
> CIF N3 C7 1.342(3)
> CIF N3 H31 0.81(3)
> CIF N3 H32 0.89(3)
> CIF N4 C10 1.430(3)
> CIF C7 C12 1.401(3)
> CIF C7 C8 1.404(3)
> CIF C8 C9 1.356(3)
> CIF C8 H8 0.92(2)
> CIF C9 C10 1.386(3)
> CIF C9 H9 0.94(3)
> CIF C10 C11 1.384(3)
> CIF C11 C12 1.361(3)
> CIF C11 H11 0.90(2)
> CIF C12 H12 0.94(2)
> CIF data_(4)
> CIF _chemical_formula_sum            'C30 H34 N14 O6'
> CIF _chemical_formula_weight         686.71
> CIF _chemical_name_systematic
> CIF ; 
> CIF 1,3-dimethylbarbituric acid . 2,6-diamino-4-phenyl-1,3,5-triazine
> CIF ;
> CIF _space_group_IT_number           14
> CIF _symmetry_cell_setting           monoclinic
> CIF _symmetry_space_group_name_Hall  '-P 2ybc'
> CIF _symmetry_space_group_name_H-M   'P 1 21/c 1'
> CIF _atom_sites_solution_hydrogens   difmap
> CIF _atom_sites_solution_primary     direct
> CIF _atom_sites_solution_secondary   difmap
> CIF _audit_creation_method           SHELXL-97
> CIF _cell_angle_alpha                90.00
> CIF _cell_angle_beta                 90.530(10)
> CIF _cell_angle_gamma                90.00
> CIF _cell_formula_units_Z            4
> CIF _cell_length_a                   11.2230(10)
> CIF _cell_length_b                   7.226(2)
> CIF _cell_length_c                   40.737(5)
> CIF _cell_measurement_reflns_used    25
> CIF _cell_measurement_temperature    293(2)
> CIF _cell_measurement_theta_max      13
> CIF _cell_measurement_theta_min      9
> CIF _cell_volume                     3303.5(10)
> CIF _computing_cell_refinement       'CAD4 Enraf nonius, 1984'
> CIF _computing_data_collection       'CAD4 Enraf Nonius, 1984'
> CIF _computing_data_reduction        'MolEN, C.K. Fair, Enraf-Nonius, 1990'
> CIF _computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
> CIF _computing_publication_material
> CIF ;
> CIF SHELXL-97 (Sheldrick, 1997), PARST (Nardelli, 1983, 1995)
> CIF ;
> CIF _computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
> CIF _computing_structure_solution    'SIR92 (Altomare et al., 1994)'
> CIF _diffrn_ambient_temperature      293(2)
> CIF _diffrn_measured_fraction_theta_full 0.992
> CIF _diffrn_measured_fraction_theta_max 0.992
> CIF _diffrn_measurement_device_type  'Enraf Nonius CAD-4'
> CIF _diffrn_measurement_method       \w/2\q
> CIF _diffrn_radiation_monochromator  graphite
> CIF _diffrn_radiation_source         'fine-focus sealed tube'
> CIF _diffrn_radiation_type           MoK\a
> CIF _diffrn_radiation_wavelength     0.71073
> CIF _diffrn_reflns_av_R_equivalents  0.019
> CIF _diffrn_reflns_av_sigmaI/netI    0.0586
> CIF _diffrn_reflns_limit_h_max       13
> CIF _diffrn_reflns_limit_h_min       0
> CIF _diffrn_reflns_limit_k_max       8
> CIF _diffrn_reflns_limit_k_min       0
> CIF _diffrn_reflns_limit_l_max       50
> CIF _diffrn_reflns_limit_l_min       -50
> CIF _diffrn_reflns_number            7135
> CIF _diffrn_reflns_theta_full        26.00
> CIF _diffrn_reflns_theta_max         26.00
> CIF _diffrn_reflns_theta_min         2.00
> CIF _diffrn_standards_decay_%        0
> CIF _diffrn_standards_interval_time  120
> CIF _diffrn_standards_number         3
> CIF _exptl_absorpt_coefficient_mu    0.101
> CIF _exptl_absorpt_correction_type   none
> CIF _exptl_crystal_colour            colourless
> CIF _exptl_crystal_density_diffrn    1.381
> CIF _exptl_crystal_density_method    'not measured'
> CIF _exptl_crystal_description       needle
> CIF _exptl_crystal_F_000             1440
> CIF _exptl_crystal_size_max          0.54
> CIF _exptl_crystal_size_mid          0.19
> CIF _exptl_crystal_size_min          0.12
> CIF _refine_diff_density_max         0.607
> CIF _refine_diff_density_min         -0.264
> CIF _refine_diff_density_rms         0.053
> CIF _refine_ls_extinction_method     none
> CIF _refine_ls_goodness_of_fit_ref   1.071
> CIF _refine_ls_hydrogen_treatment    mixed
> CIF _refine_ls_matrix_type           full
> CIF _refine_ls_number_parameters     535
> CIF _refine_ls_number_reflns         6435
> CIF _refine_ls_number_restraints     0
> CIF _refine_ls_restrained_S_all      1.071
> CIF _refine_ls_R_factor_all          0.1286
> CIF _refine_ls_R_factor_gt           0.0657
> CIF _refine_ls_shift/su_max          0.030
> CIF _refine_ls_shift/su_mean         0.005
> CIF _refine_ls_structure_factor_coef Fsqd
> CIF _refine_ls_weighting_details
> CIF 'calc w=1/[\s^2^(Fo^2^)+(0.1057P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
> CIF _refine_ls_weighting_scheme      calc
> CIF _refine_ls_wR_factor_gt          0.1721
> CIF _refine_ls_wR_factor_ref         0.2031
> CIF _reflns_number_gt                3539
> CIF _reflns_number_total             6435
> CIF _reflns_threshold_expression     I>2sigma(I)
> CIF _cod_data_source_file            b008262g-missing-closing-quote.cif
> CIF _cod_data_source_block           (4)
> CIF _cod_original_sg_symbol_H-M      'P 21 / c'
> CIF loop_
> CIF _symmetry_equiv_pos_as_xyz
> CIF 'x, y, z'
> CIF '-x, y+1/2, -z+1/2'
> CIF '-x, -y, -z'
> CIF 'x, -y-1/2, z-1/2'
> CIF loop_
> CIF _atom_site_label
> CIF _atom_site_type_symbol
> CIF _atom_site_fract_x
> CIF _atom_site_fract_y
> CIF _atom_site_fract_z
> CIF _atom_site_U_iso_or_equiv
> CIF _atom_site_adp_type
> CIF _atom_site_occupancy
> CIF _atom_site_symmetry_multiplicity
> CIF _atom_site_calc_flag
> CIF _atom_site_refinement_flags
> CIF O11 O 0.3397(2) 0.1558(5) 0.00577(7) 0.0772(8) Uani 1 1 d .
> CIF O21 O -0.0345(3) 0.1272(4) -0.04585(7) 0.0781(8) Uani 1 1 d .
> CIF O31 O 0.3035(3) 0.0477(5) -0.10277(6) 0.0871(10) Uani 1 1 d .
> CIF N11 N 0.3226(3) 0.0890(4) -0.04780(7) 0.0599(8) Uani 1 1 d .
> CIF N21 N 0.1333(3) 0.0747(4) -0.07400(7) 0.0551(7) Uani 1 1 d .
> CIF C11 C 0.2758(3) 0.1284(5) -0.01741(9) 0.0557(9) Uani 1 1 d .
> CIF C21 C 0.1449(3) 0.1324(7) -0.01519(10) 0.0562(9) Uani 1 1 d .
> CIF C31 C 0.0724(3) 0.1137(5) -0.04569(9) 0.0545(9) Uani 1 1 d .
> CIF C41 C 0.2561(4) 0.0699(5) -0.07638(10) 0.0610(10) Uani 1 1 d .
> CIF C51 C 0.4526(4) 0.0735(8) -0.05133(12) 0.0887(15) Uani 1 1 d .
> CIF H511 H 0.4885 0.0523 -0.0302 0.106 Uiso 1 1 calc R
> CIF H512 H 0.4834 0.1860 -0.0605 0.106 Uiso 1 1 calc R
> CIF H513 H 0.4707 -0.0280 -0.0656 0.106 Uiso 1 1 calc R
> CIF C61 C 0.0653(4) 0.0465(6) -0.10458(9) 0.0705(11) Uani 1 1 d .
> CIF H613 H 0.0834 -0.0732 -0.1135 0.085 Uiso 1 1 calc R
> CIF H614 H 0.0863 0.1404 -0.1202 0.085 Uiso 1 1 calc R
> CIF H615 H -0.0184 0.0539 -0.1001 0.085 Uiso 1 1 calc R
> CIF O12 O 0.4606(3) 0.5135(6) 0.10755(9) 0.1002(11) Uani 1 1 d .
> CIF O22 O 0.7660(3) 0.6694(6) 0.17958(7) 0.1013(12) Uani 1 1 d .
> CIF O32 O 0.4606(3) 1.0624(5) 0.16034(10) 0.1122(13) Uani 1 1 d .
> CIF N12 N 0.4521(3) 0.7818(5) 0.13633(8) 0.0656(9) Uani 1 1 d .
> CIF N22 N 0.6133(3) 0.8672(5) 0.17170(8) 0.0705(10) Uani 1 1 d .
> CIF C12 C 0.5019(4) 0.6124(7) 0.12897(11) 0.0681(11) Uani 1 1 d .
> CIF C22 C 0.6062(4) 0.5603(6) 0.14848(10) 0.0704(11) Uani 1 1 d .
> CIF H221 H 0.5818 0.4636 0.1635 0.084 Uiso 1 1 calc R
> CIF H222 H 0.6635 0.5055 0.1337 0.084 Uiso 1 1 calc R
> CIF C32 C 0.6679(3) 0.6982(7) 0.16741(9) 0.0687(12) Uani 1 1 d .
> CIF C42 C 0.5058(4) 0.9147(7) 0.15635(10) 0.0684(11) Uani 1 1 d .
> CIF C52 C 0.3404(4) 0.8348(9) 0.11932(12) 0.0979(17) Uani 1 1 d .
> CIF H521 H 0.3143 0.7349 0.1055 0.118 Uiso 1 1 calc R
> CIF H522 H 0.3540 0.9429 0.1062 0.118 Uiso 1 1 calc R
> CIF H523 H 0.2802 0.8609 0.1353 0.118 Uiso 1 1 calc R
> CIF C62 C 0.6763(6) 1.0074(11) 0.19001(18) 0.148(3) Uani 1 1 d .
> CIF H623 H 0.6208 1.0982 0.1977 0.177 Uiso 1 1 calc R
> CIF H625 H 0.7337 1.0659 0.1761 0.177 Uiso 1 1 calc R
> CIF H624 H 0.7164 0.9515 0.2084 0.177 Uiso 1 1 calc R
> CIF N31 N 0.0455(2) 0.3607(4) 0.06109(6) 0.0476(7) Uani 1 1 d .
> CIF N41 N -0.0819(2) 0.4729(4) 0.10297(6) 0.0429(6) Uani 1 1 d .
> CIF N51 N 0.1258(2) 0.4368(4) 0.11380(6) 0.0469(7) Uani 1 1 d .
> CIF N61 N 0.2448(3) 0.3234(6) 0.07314(9) 0.0715(10) Uani 1 1 d .
> CIF N71 N 0.0004(3) 0.5519(4) 0.15269(7) 0.0502(7) Uani 1 1 d .
> CIF C71 C -0.0599(3) 0.4108(4) 0.07302(8) 0.0419(7) Uani 1 1 d .
> CIF C81 C 0.1353(3) 0.3778(5) 0.08323(8) 0.0478(8) Uani 1 1 d .
> CIF C91 C 0.0155(3) 0.4850(4) 0.12243(7) 0.0414(7) Uani 1 1 d .
> CIF C101 C -0.1635(3) 0.3961(4) 0.04993(7) 0.0424(7) Uani 1 1 d .
> CIF C111 C -0.1486(3) 0.3603(5) 0.01723(8) 0.0525(9) Uani 1 1 d .
> CIF C121 C -0.2451(4) 0.3458(6) -0.00424(10) 0.0639(10) Uani 1 1 d .
> CIF C131 C -0.3579(4) 0.3677(6) 0.00824(12) 0.0744(13) Uani 1 1 d .
> CIF C141 C -0.3754(4) 0.4035(7) 0.04073(11) 0.0772(13) Uani 1 1 d .
> CIF C151 C -0.2786(3) 0.4193(6) 0.06157(11) 0.0659(10) Uani 1 1 d .
> CIF N32 N 0.2328(2) 0.6526(3) 0.19194(6) 0.0374(6) Uani 1 1 d .
> CIF N42 N 0.3509(2) 0.8007(3) 0.23263(6) 0.0396(6) Uani 1 1 d .
> CIF N52 N 0.4093(2) 0.5047(3) 0.21203(6) 0.0419(6) Uani 1 1 d .
> CIF N62 N 0.2966(3) 0.3762(4) 0.17143(8) 0.0504(7) Uani 1 1 d .
> CIF N72 N 0.5208(3) 0.6548(5) 0.25070(8) 0.0527(8) Uani 1 1 d .
> CIF C72 C 0.2572(2) 0.7908(4) 0.21264(7) 0.0342(6) Uani 1 1 d .
> CIF C82 C 0.3133(2) 0.5127(4) 0.19262(7) 0.0354(7) Uani 1 1 d .
> CIF C92 C 0.4251(3) 0.6529(4) 0.23169(7) 0.0382(7) Uani 1 1 d .
> CIF C102 C 0.1720(2) 0.9480(4) 0.21364(7) 0.0359(7) Uani 1 1 d .
> CIF C112 C 0.0929(3) 0.9781(5) 0.18770(8) 0.0446(8) Uani 1 1 d .
> CIF C122 C 0.0131(3) 1.1236(5) 0.18853(9) 0.0566(9) Uani 1 1 d .
> CIF C132 C 0.0106(4) 1.2388(5) 0.21537(9) 0.0605(10) Uani 1 1 d .
> CIF C142 C 0.0881(3) 1.2105(5) 0.24138(10) 0.0567(9) Uani 1 1 d .
> CIF C152 C 0.1690(3) 1.0661(5) 0.24030(8) 0.0434(7) Uani 1 1 d .
> CIF H211 H 0.125(3) 0.230(5) -0.0046(8) 0.044(9) Uiso 1 1 d .
> CIF H212 H 0.122(4) 0.044(6) -0.0003(10) 0.069(12) Uiso 1 1 d .
> CIF H611 H 0.315(3) 0.362(5) 0.0874(9) 0.061(10) Uiso 1 1 d .
> CIF H612 H 0.260(4) 0.258(7) 0.0514(13) 0.109(16) Uiso 1 1 d .
> CIF H711 H -0.077(4) 0.587(5) 0.1586(8) 0.058(10) Uiso 1 1 d .
> CIF H712 H 0.063(3) 0.561(5) 0.1667(8) 0.054(10) Uiso 1 1 d .
> CIF H111 H -0.067(4) 0.348(5) 0.0111(9) 0.068(11) Uiso 1 1 d .
> CIF H121 H -0.227(4) 0.330(6) -0.0286(11) 0.089(14) Uiso 1 1 d .
> CIF H131 H -0.419(4) 0.348(6) -0.0064(11) 0.080(12) Uiso 1 1 d .
> CIF H141 H -0.461(4) 0.415(6) 0.0478(9) 0.077(12) Uiso 1 1 d .
> CIF H151 H -0.285(3) 0.455(5) 0.0863(10) 0.062(10) Uiso 1 1 d .
> CIF H621 H 0.343(3) 0.287(6) 0.1716(9) 0.068(13) Uiso 1 1 d .
> CIF H622 H 0.237(4) 0.372(6) 0.1570(10) 0.072(12) Uiso 1 1 d .
> CIF H721 H 0.527(3) 0.734(5) 0.2631(9) 0.047(11) Uiso 1 1 d .
> CIF H722 H 0.566(4) 0.554(6) 0.2530(9) 0.066(12) Uiso 1 1 d .
> CIF H112 H 0.094(3) 0.894(5) 0.1708(9) 0.060(11) Uiso 1 1 d .
> CIF H122 H -0.045(3) 1.138(5) 0.1663(9) 0.074(11) Uiso 1 1 d .
> CIF H132 H -0.053(3) 1.329(6) 0.2177(9) 0.065(11) Uiso 1 1 d .
> CIF H142 H 0.092(3) 1.279(6) 0.2590(10) 0.068(12) Uiso 1 1 d .
> CIF H152 H 0.217(2) 1.058(4) 0.2584(7) 0.030(7) Uiso 1 1 d .
> CIF loop_
> CIF _atom_site_aniso_label
> CIF _atom_site_aniso_U_11
> CIF _atom_site_aniso_U_22
> CIF _atom_site_aniso_U_33
> CIF _atom_site_aniso_U_23
> CIF _atom_site_aniso_U_13
> CIF _atom_site_aniso_U_12
> CIF O11 0.0728(18) 0.100(2) 0.0584(16) -0.0161(16) -0.0092(14) -0.0043(16)
> CIF O21 0.0631(19) 0.092(2) 0.080(2) -0.0029(16) 0.0007(14) 0.0070(16)
> CIF O31 0.091(2) 0.124(3) 0.0470(15) -0.0010(17) 0.0231(14) 0.0021(19)
> CIF N11 0.0551(18) 0.067(2) 0.0576(18) 0.0057(15) 0.0070(14) -0.0044(15)
> CIF N21 0.067(2) 0.0465(17) 0.0521(17) 0.0033(14) -0.0007(14) -0.0009(14)
> CIF C11 0.063(2) 0.050(2) 0.055(2) -0.0037(18) 0.0020(18) -0.0036(17)
> CIF C21 0.064(2) 0.051(2) 0.054(2) -0.004(2) 0.0073(18) 0.0088(19)
> CIF C31 0.060(2) 0.038(2) 0.066(2) 0.0053(17) 0.0036(18) 0.0007(16)
> CIF C41 0.066(2) 0.056(2) 0.061(2) 0.0090(19) 0.0066(19) -0.0046(19)
> CIF C51 0.061(3) 0.128(4) 0.077(3) 0.003(3) 0.015(2) -0.012(3)
> CIF C61 0.097(3) 0.066(3) 0.048(2) 0.002(2) -0.015(2) 0.000(2)
> CIF O12 0.073(2) 0.127(3) 0.101(2) -0.021(2) 0.0071(18) -0.0131(19)
> CIF O22 0.0636(18) 0.175(4) 0.0658(18) -0.005(2) -0.0039(14) 0.048(2)
> CIF O32 0.109(3) 0.099(3) 0.128(3) -0.011(2) 0.017(2) 0.054(2)
> CIF N12 0.0453(17) 0.091(3) 0.0608(19) 0.0218(19) 0.0091(14) 0.0131(18)
> CIF N22 0.0590(19) 0.102(3) 0.0510(18) -0.0095(18) 0.0061(15) 0.015(2)
> CIF C12 0.054(2) 0.087(3) 0.063(2) 0.006(2) 0.0160(19) 0.003(2)
> CIF C22 0.070(3) 0.079(3) 0.063(2) 0.005(2) 0.012(2) 0.021(2)
> CIF C32 0.053(2) 0.102(3) 0.052(2) 0.007(2) 0.0141(18) 0.028(2)
> CIF C42 0.059(2) 0.080(3) 0.067(3) 0.006(2) 0.022(2) 0.017(2)
> CIF C52 0.053(2) 0.147(5) 0.094(3) 0.041(3) 0.002(2) 0.018(3)
> CIF C62 0.104(5) 0.180(7) 0.159(6) -0.068(6) -0.006(4) 0.010(5)
> CIF N31 0.0436(15) 0.0516(17) 0.0475(15) -0.0111(13) -0.0068(12) 0.0032(13)
> CIF N41 0.0449(15) 0.0409(15) 0.0428(15) -0.0036(12) -0.0050(11) 0.0051(12)
> CIF N51 0.0469(15) 0.0496(16) 0.0441(15) -0.0112(13) -0.0080(12) 0.0076(13)
> CIF N61 0.0442(17) 0.111(3) 0.0589(19) -0.024(2) -0.0051(15) 0.0153(18)
> CIF N71 0.0484(17) 0.0524(18) 0.0494(17) -0.0076(14) -0.0092(14) 0.0126(14)
> CIF C71 0.0429(17) 0.0325(16) 0.0501(19) -0.0003(14) -0.0091(14) 0.0024(13)
> CIF C81 0.0449(18) 0.054(2) 0.0447(18) -0.0075(16) -0.0057(14) 0.0049(15)
> CIF C91 0.0449(18) 0.0371(17) 0.0421(17) -0.0019(14) -0.0073(14) 0.0055(14)
> CIF C101 0.0486(18) 0.0370(17) 0.0414(17) -0.0044(14) -0.0093(14) 0.0028(14)
> CIF C111 0.055(2) 0.053(2) 0.049(2) -0.0082(16) -0.0114(17) 0.0072(17)
> CIF C121 0.071(3) 0.068(3) 0.053(2) -0.016(2) -0.0219(19) 0.013(2)
> CIF C131 0.063(3) 0.074(3) 0.086(3) -0.013(2) -0.035(2) 0.017(2)
> CIF C141 0.050(2) 0.117(4) 0.064(3) -0.016(3) -0.0124(19) 0.016(2)
> CIF C151 0.050(2) 0.082(3) 0.065(2) -0.011(2) -0.0069(18) 0.007(2)
> CIF N32 0.0375(13) 0.0344(14) 0.0404(13) -0.0070(11) -0.0046(10) 0.0039(11)
> CIF N42 0.0410(14) 0.0320(13) 0.0456(14) -0.0039(12) -0.0113(11) 0.0009(11)
> CIF N52 0.0381(14) 0.0345(14) 0.0529(15) -0.0021(12) -0.0099(12) 0.0053(11)
> CIF N62 0.0483(17) 0.0443(18) 0.0584(18) -0.0167(14) -0.0145(14) 0.0112(14)
> CIF N72 0.0527(19) 0.0383(17) 0.067(2) -0.0134(16) -0.0254(15) 0.0078(14)
> CIF C72 0.0357(15) 0.0315(15) 0.0355(15) 0.0057(13) -0.0008(12) -0.0022(12)
> CIF C82 0.0359(15) 0.0339(16) 0.0363(15) 0.0014(13) -0.0032(12) -0.0015(13)
> CIF C92 0.0398(16) 0.0316(16) 0.0431(17) 0.0005(13) -0.0068(14) -0.0013(13)
> CIF C102 0.0348(15) 0.0305(15) 0.0423(16) 0.0018(13) 0.0014(12) 0.0003(12)
> CIF C112 0.0482(19) 0.0385(18) 0.0470(18) -0.0011(16) -0.0045(15) 0.0101(15)
> CIF C122 0.059(2) 0.051(2) 0.060(2) -0.0028(18) -0.0091(17) 0.0136(17)
> CIF C132 0.067(2) 0.052(2) 0.063(2) -0.0005(18) 0.0011(19) 0.0230(19)
> CIF C142 0.067(2) 0.048(2) 0.055(2) -0.0127(19) 0.0082(18) 0.0113(18)
> CIF C152 0.0436(17) 0.0450(19) 0.0416(18) -0.0045(15) -0.0038(14) 0.0004(15)
> CIF loop_
> CIF _atom_type_symbol
> CIF _atom_type_description
> CIF _atom_type_scat_dispersion_real
> CIF _atom_type_scat_dispersion_imag
> CIF _atom_type_scat_source
> CIF O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF loop_
> CIF _geom_angle_atom_site_label_1
> CIF _geom_angle_atom_site_label_2
> CIF _geom_angle_atom_site_label_3
> CIF _geom_angle
> CIF C11 N11 C41 124.7(3)
> CIF C11 N11 C51 119.3(3)
> CIF C41 N11 C51 116.0(3)
> CIF C31 N21 C41 124.6(3)
> CIF C31 N21 C61 118.7(3)
> CIF C41 N21 C61 116.6(3)
> CIF O11 C11 N11 120.8(4)
> CIF O11 C11 C21 122.6(4)
> CIF N11 C11 C21 116.6(3)
> CIF C11 C21 C31 119.1(3)
> CIF C11 C21 H211 108(2)
> CIF C31 C21 H211 111(2)
> CIF C11 C21 H212 108(2)
> CIF C31 C21 H212 110(2)
> CIF H211 C21 H212 99(3)
> CIF O21 C31 N21 121.0(4)
> CIF O21 C31 C21 122.4(4)
> CIF N21 C31 C21 116.6(3)
> CIF O31 C41 N21 120.7(4)
> CIF O31 C41 N11 121.4(4)
> CIF N21 C41 N11 117.9(3)
> CIF N11 C51 H511 109.5
> CIF N11 C51 H512 109.5
> CIF H511 C51 H512 109.5
> CIF N11 C51 H513 109.5
> CIF H511 C51 H513 109.5
> CIF H512 C51 H513 109.5
> CIF N21 C61 H613 109.5
> CIF N21 C61 H614 109.5
> CIF H613 C61 H614 109.5
> CIF N21 C61 H615 109.5
> CIF H613 C61 H615 109.5
> CIF H614 C61 H615 109.5
> CIF C12 N12 C42 124.4(3)
> CIF C12 N12 C52 118.1(4)
> CIF C42 N12 C52 117.2(4)
> CIF C32 N22 C42 123.0(4)
> CIF C32 N22 C62 118.2(4)
> CIF C42 N22 C62 118.5(4)
> CIF O12 C12 N12 121.7(4)
> CIF O12 C12 C22 122.5(4)
> CIF N12 C12 C22 115.8(4)
> CIF C32 C22 C12 119.6(4)
> CIF C32 C22 H221 107.4
> CIF C12 C22 H221 107.4
> CIF C32 C22 H222 107.4
> CIF C12 C22 H222 107.4
> CIF H221 C22 H222 106.9
> CIF O22 C32 N22 119.9(5)
> CIF O22 C32 C22 121.9(4)
> CIF N22 C32 C22 118.1(4)
> CIF O32 C42 N12 120.9(4)
> CIF O32 C42 N22 121.7(5)
> CIF N12 C42 N22 117.4(4)
> CIF N12 C52 H521 109.5
> CIF N12 C52 H522 109.5
> CIF H521 C52 H522 109.5
> CIF N12 C52 H523 109.5
> CIF H521 C52 H523 109.5
> CIF H522 C52 H523 109.5
> CIF N22 C62 H623 109.5
> CIF N22 C62 H625 109.5
> CIF H623 C62 H625 109.5
> CIF N22 C62 H624 109.5
> CIF H623 C62 H624 109.5
> CIF H625 C62 H624 109.5
> CIF C71 N31 C81 113.0(3)
> CIF C71 N41 C91 114.0(3)
> CIF C81 N51 C91 114.5(3)
> CIF C81 N61 H611 117(2)
> CIF C81 N61 H612 124(3)
> CIF H611 N61 H612 119(3)
> CIF C91 N71 H711 117(2)
> CIF C91 N71 H712 120(2)
> CIF H711 N71 H712 122(3)
> CIF N41 C71 N31 127.0(3)
> CIF N41 C71 C101 116.9(3)
> CIF N31 C71 C101 116.1(3)
> CIF N51 C81 N31 126.3(3)
> CIF N51 C81 N61 117.4(3)
> CIF N31 C81 N61 116.3(3)
> CIF N71 C91 N51 117.5(3)
> CIF N71 C91 N41 117.2(3)
> CIF N51 C91 N41 125.2(3)
> CIF C111 C101 C151 118.5(3)
> CIF C111 C101 C71 121.7(3)
> CIF C151 C101 C71 119.8(3)
> CIF C101 C111 C121 121.7(4)
> CIF C101 C111 H111 113(2)
> CIF C121 C111 H111 125(2)
> CIF C131 C121 C111 118.2(4)
> CIF C131 C121 H121 124(2)
> CIF C111 C121 H121 118(2)
> CIF C141 C131 C121 121.4(4)
> CIF C141 C131 H131 123(3)
> CIF C121 C131 H131 115(3)
> CIF C131 C141 C151 119.6(4)
> CIF C131 C141 H141 116(2)
> CIF C151 C141 H141 124(2)
> CIF C141 C151 C101 120.6(4)
> CIF C141 C151 H151 124(2)
> CIF C101 C151 H151 116(2)
> CIF C72 N32 C82 114.4(2)
> CIF C72 N42 C92 115.1(2)
> CIF C82 N52 C92 114.8(2)
> CIF C82 N62 H621 119(3)
> CIF C82 N62 H622 124(3)
> CIF H621 N62 H622 117(4)
> CIF C92 N72 H721 117(3)
> CIF C92 N72 H722 121(2)
> CIF H721 N72 H722 120(4)
> CIF N42 C72 N32 125.8(3)
> CIF N42 C72 C102 116.7(3)
> CIF N32 C72 C102 117.5(2)
> CIF N62 C82 N52 117.6(3)
> CIF N62 C82 N32 116.9(3)
> CIF N52 C82 N32 125.4(3)
> CIF N72 C92 N52 117.3(3)
> CIF N72 C92 N42 118.2(3)
> CIF N52 C92 N42 124.5(2)
> CIF C152 C102 C112 118.7(3)
> CIF C152 C102 C72 120.9(3)
> CIF C112 C102 C72 120.3(3)
> CIF C122 C112 C102 120.6(3)
> CIF C122 C112 H112 122(2)
> CIF C102 C112 H112 117(2)
> CIF C132 C122 C112 119.9(3)
> CIF C132 C122 H122 125(2)
> CIF C112 C122 H122 115(2)
> CIF C122 C132 C142 120.2(3)
> CIF C122 C132 H132 120(2)
> CIF C142 C132 H132 119(2)
> CIF C132 C142 C152 119.8(4)
> CIF C132 C142 H142 125(3)
> CIF C152 C142 H142 115(3)
> CIF C102 C152 C142 120.7(3)
> CIF C102 C152 H152 125.4(18)
> CIF C142 C152 H152 113.9(18)
> CIF loop_
> CIF _geom_bond_atom_site_label_1
> CIF _geom_bond_atom_site_label_2
> CIF _geom_bond_distance
> CIF O11 C11 1.197(4)
> CIF O21 C31 1.204(4)
> CIF O31 C41 1.214(4)
> CIF N11 C11 1.379(5)
> CIF N11 C41 1.384(5)
> CIF N11 C51 1.471(5)
> CIF N21 C31 1.375(5)
> CIF N21 C41 1.382(5)
> CIF N21 C61 1.470(5)
> CIF C11 C21 1.473(5)
> CIF C21 C31 1.485(5)
> CIF C21 H211 0.86(4)
> CIF C21 H212 0.92(4)
> CIF C51 H511 0.9600
> CIF C51 H512 0.9600
> CIF C51 H513 0.9600
> CIF C61 H613 0.9600
> CIF C61 H614 0.9600
> CIF C61 H615 0.9600
> CIF O12 C12 1.216(5)
> CIF O22 C32 1.221(5)
> CIF O32 C42 1.193(5)
> CIF N12 C12 1.380(5)
> CIF N12 C42 1.394(6)
> CIF N12 C52 1.477(5)
> CIF N22 C32 1.378(5)
> CIF N22 C42 1.397(5)
> CIF N22 C62 1.440(7)
> CIF C12 C22 1.459(6)
> CIF C22 C32 1.434(6)
> CIF C22 H221 0.9700
> CIF C22 H222 0.9700
> CIF C52 H521 0.9600
> CIF C52 H522 0.9600
> CIF C52 H523 0.9600
> CIF C62 H623 0.9600
> CIF C62 H625 0.9600
> CIF C62 H624 0.9600
> CIF N31 C71 1.333(4)
> CIF N31 C81 1.351(4)
> CIF N41 C71 1.325(4)
> CIF N41 C91 1.347(4)
> CIF N51 C81 1.322(4)
> CIF N51 C91 1.337(4)
> CIF N61 C81 1.357(4)
> CIF N61 H611 1.01(4)
> CIF N61 H612 1.02(5)
> CIF N71 C91 1.336(4)
> CIF N71 H711 0.94(4)
> CIF N71 H712 0.90(4)
> CIF C71 C101 1.493(4)
> CIF C101 C111 1.369(5)
> CIF C101 C151 1.390(5)
> CIF C111 C121 1.390(5)
> CIF C111 H111 0.95(4)
> CIF C121 C131 1.377(6)
> CIF C121 H121 1.02(4)
> CIF C131 C141 1.365(6)
> CIF C131 H131 0.92(4)
> CIF C141 C151 1.377(5)
> CIF C141 H141 1.01(4)
> CIF C151 H151 1.04(4)
> CIF N32 C72 1.334(4)
> CIF N32 C82 1.356(4)
> CIF N42 C72 1.326(4)
> CIF N42 C92 1.355(4)
> CIF N52 C82 1.332(4)
> CIF N52 C92 1.348(4)
> CIF N62 C82 1.323(4)
> CIF N62 H621 0.83(4)
> CIF N62 H622 0.89(4)
> CIF N72 C92 1.318(4)
> CIF N72 H721 0.76(4)
> CIF N72 H722 0.89(4)
> CIF C72 C102 1.486(4)
> CIF C102 C152 1.382(4)
> CIF C102 C112 1.391(4)
> CIF C112 C122 1.381(5)
> CIF C112 H112 0.92(4)
> CIF C122 C132 1.374(5)
> CIF C122 H122 1.12(4)
> CIF C132 C142 1.380(5)
> CIF C132 H132 0.97(4)
> CIF C142 C152 1.384(5)
> CIF C142 H142 0.87(4)
> CIF C152 H152 0.91(3)
> CIF data_(5)
> CIF _chemical_formula_sum            'C11 H15 N5 O3'
> CIF _chemical_formula_weight         265.28
> CIF _chemical_name_systematic
> CIF ; 
> CIF 1,3-dimethylbarbituric acid . 2,6-diaminopyridine
> CIF ;
> CIF _space_group_IT_number           2
> CIF _symmetry_cell_setting           triclinic
> CIF _symmetry_space_group_name_Hall  '-P 1'
> CIF _symmetry_space_group_name_H-M   'P -1'
> CIF _atom_sites_solution_hydrogens   difmap
> CIF _atom_sites_solution_primary     direct
> CIF _atom_sites_solution_secondary   difmap
> CIF _audit_creation_method           SHELXL-97
> CIF _cell_angle_alpha                91.28(2)
> CIF _cell_angle_beta                 109.460(10)
> CIF _cell_angle_gamma                94.01(2)
> CIF _cell_formula_units_Z            2
> CIF _cell_length_a                   7.2620(10)
> CIF _cell_length_b                   9.466(3)
> CIF _cell_length_c                   9.8390(10)
> CIF _cell_measurement_reflns_used    25
> CIF _cell_measurement_temperature    293(2)
> CIF _cell_measurement_theta_max      13
> CIF _cell_measurement_theta_min      8
> CIF _cell_volume                     635.4(2)
> CIF _computing_cell_refinement       'CAD4, Enraf-Nonius, 1984'
> CIF _computing_data_collection       'CAD4, Enraf-Nonius, 1984'
> CIF _computing_data_reduction        'MolEN, C.K. Fair, Enraf-Nonius, 1990'
> CIF _computing_molecular_graphics    'ORTEPII (Johnson, 1976) '
> CIF _computing_publication_material
> CIF ;
> CIF SHELXL-97 (Sheldrick, 1997), PARST (Nardelli, 1983, 1995)
> CIF ;
> CIF _computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
> CIF _computing_structure_solution    'SIR92 (Altomare et al, 1994)'
> CIF _diffrn_ambient_temperature      293(2)
> CIF _diffrn_measured_fraction_theta_full 1.000
> CIF _diffrn_measured_fraction_theta_max 1.000
> CIF _diffrn_measurement_device_type  'Enraf-Nonius CAD-4'
> CIF _diffrn_measurement_method       \w/2\q
> CIF _diffrn_radiation_monochromator  graphite
> CIF _diffrn_radiation_source         'fine-focus sealed tube'
> CIF _diffrn_radiation_type           MoK\a
> CIF _diffrn_radiation_wavelength     0.71073
> CIF _diffrn_reflns_av_R_equivalents  0.012
> CIF _diffrn_reflns_av_sigmaI/netI    0.0228
> CIF _diffrn_reflns_limit_h_max       9
> CIF _diffrn_reflns_limit_h_min       0
> CIF _diffrn_reflns_limit_k_max       12
> CIF _diffrn_reflns_limit_k_min       -12
> CIF _diffrn_reflns_limit_l_max       11
> CIF _diffrn_reflns_limit_l_min       -12
> CIF _diffrn_reflns_number            2988
> CIF _diffrn_reflns_theta_full        26.97
> CIF _diffrn_reflns_theta_max         26.97
> CIF _diffrn_reflns_theta_min         2.16
> CIF _diffrn_standards_decay_%        0
> CIF _diffrn_standards_interval_time  120
> CIF _diffrn_standards_number         3
> CIF _exptl_absorpt_coefficient_mu    0.104
> CIF _exptl_absorpt_correction_type   none
> CIF _exptl_crystal_colour            brown
> CIF _exptl_crystal_density_diffrn    1.387
> CIF _exptl_crystal_density_method    'not measured'
> CIF _exptl_crystal_description       prismatic
> CIF _exptl_crystal_F_000             280
> CIF _exptl_crystal_size_max          0.45
> CIF _exptl_crystal_size_mid          0.30
> CIF _exptl_crystal_size_min          0.18
> CIF _refine_diff_density_max         0.201
> CIF _refine_diff_density_min         -0.216
> CIF _refine_diff_density_rms         0.041
> CIF _refine_ls_extinction_method     none
> CIF _refine_ls_goodness_of_fit_ref   1.053
> CIF _refine_ls_hydrogen_treatment    refall
> CIF _refine_ls_matrix_type           full
> CIF _refine_ls_number_parameters     232
> CIF _refine_ls_number_reflns         2765
> CIF _refine_ls_number_restraints     0
> CIF _refine_ls_restrained_S_all      1.053
> CIF _refine_ls_R_factor_all          0.0605
> CIF _refine_ls_R_factor_gt           0.0407
> CIF _refine_ls_shift/su_max          0.002
> CIF _refine_ls_shift/su_mean         0.000
> CIF _refine_ls_structure_factor_coef Fsqd
> CIF _refine_ls_weighting_details
> CIF 'calc w=1/[\s^2^(Fo^2^)+(0.0626P)^2^+0.0824P] where P=(Fo^2^+2Fc^2^)/3'
> CIF _refine_ls_weighting_scheme      calc
> CIF _refine_ls_wR_factor_gt          0.1044
> CIF _refine_ls_wR_factor_ref         0.1158
> CIF _reflns_number_gt                2079
> CIF _reflns_number_total             2765
> CIF _reflns_threshold_expression     I>2sigma(I)
> CIF _cod_data_source_file            b008262g-missing-closing-quote.cif
> CIF _cod_data_source_block           (5)
> CIF loop_
> CIF _symmetry_equiv_pos_as_xyz
> CIF 'x, y, z'
> CIF '-x, -y, -z'
> CIF loop_
> CIF _atom_site_label
> CIF _atom_site_type_symbol
> CIF _atom_site_fract_x
> CIF _atom_site_fract_y
> CIF _atom_site_fract_z
> CIF _atom_site_U_iso_or_equiv
> CIF _atom_site_adp_type
> CIF _atom_site_occupancy
> CIF _atom_site_symmetry_multiplicity
> CIF _atom_site_calc_flag
> CIF O1 O 0.14252(18) 0.00112(12) -0.26976(11) 0.0506(3) Uani 1 1 d
> CIF O2 O 0.43096(17) -0.25684(12) 0.13818(12) 0.0483(3) Uani 1 1 d
> CIF O3 O 0.26422(18) 0.18991(12) 0.18283(12) 0.0475(3) Uani 1 1 d
> CIF N1 N 0.19328(17) 0.09282(12) -0.04325(13) 0.0344(3) Uani 1 1 d
> CIF N2 N 0.33280(17) -0.03699(13) 0.15956(12) 0.0340(3) Uani 1 1 d
> CIF C1 C 0.2046(2) -0.01804(15) -0.13717(14) 0.0342(3) Uani 1 1 d
> CIF C2 C 0.2844(2) -0.13891(16) -0.07378(15) 0.0361(3) Uani 1 1 d
> CIF C3 C 0.3532(2) -0.15166(14) 0.07396(15) 0.0330(3) Uani 1 1 d
> CIF C4 C 0.2639(2) 0.08737(15) 0.10404(15) 0.0335(3) Uani 1 1 d
> CIF C5 C 0.1164(3) 0.22534(19) -0.1012(2) 0.0469(4) Uani 1 1 d
> CIF N3 N 0.68715(18) -0.37209(13) 0.36877(13) 0.0336(3) Uani 1 1 d
> CIF N4 N 0.4873(2) -0.54378(16) 0.20834(16) 0.0504(4) Uani 1 1 d
> CIF N5 N 0.8830(2) -0.18403(15) 0.50463(16) 0.0470(4) Uani 1 1 d
> CIF C6 C 0.4014(3) -0.0436(2) 0.31662(17) 0.0490(4) Uani 1 1 d
> CIF C7 C 0.6118(2) -0.50944(15) 0.34185(16) 0.0371(3) Uani 1 1 d
> CIF C8 C 0.6692(3) -0.60226(18) 0.4521(2) 0.0460(4) Uani 1 1 d
> CIF C9 C 0.7966(3) -0.54993(19) 0.5844(2) 0.0484(4) Uani 1 1 d
> CIF C10 C 0.8725(2) -0.41152(18) 0.60941(17) 0.0424(4) Uani 1 1 d
> CIF C11 C 0.8182(2) -0.31985(16) 0.49732(15) 0.0350(3) Uani 1 1 d
> CIF H2 H 0.297(2) -0.2155(19) -0.1326(18) 0.040(4) Uiso 1 1 d
> CIF H51 H 0.226(3) 0.297(2) -0.097(2) 0.070(6) Uiso 1 1 d
> CIF H52 H 0.035(3) 0.261(2) -0.050(2) 0.068(6) Uiso 1 1 d
> CIF H53 H 0.040(3) 0.206(2) -0.200(2) 0.065(6) Uiso 1 1 d
> CIF H61 H 0.386(4) -0.147(3) 0.342(3) 0.090(8) Uiso 1 1 d
> CIF H62 H 0.316(4) 0.010(3) 0.356(3) 0.093(8) Uiso 1 1 d
> CIF H63 H 0.532(4) -0.004(3) 0.355(3) 0.089(8) Uiso 1 1 d
> CIF H30 H 0.633(2) -0.3108(18) 0.2982(19) 0.044(5) Uiso 1 1 d
> CIF H410 H 0.436(3) -0.469(2) 0.153(2) 0.062(6) Uiso 1 1 d
> CIF H420 H 0.419(3) -0.628(2) 0.194(2) 0.061(6) Uiso 1 1 d
> CIF H510 H 0.863(3) -0.131(2) 0.423(2) 0.061(6) Uiso 1 1 d
> CIF H520 H 0.969(3) -0.146(2) 0.589(2) 0.064(6) Uiso 1 1 d
> CIF H8 H 0.615(3) -0.702(2) 0.434(2) 0.069(6) Uiso 1 1 d
> CIF H9 H 0.836(3) -0.613(2) 0.664(2) 0.058(5) Uiso 1 1 d
> CIF H10 H 0.961(3) -0.374(2) 0.702(2) 0.055(5) Uiso 1 1 d
> CIF loop_
> CIF _atom_site_aniso_label
> CIF _atom_site_aniso_U_11
> CIF _atom_site_aniso_U_22
> CIF _atom_site_aniso_U_33
> CIF _atom_site_aniso_U_23
> CIF _atom_site_aniso_U_13
> CIF _atom_site_aniso_U_12
> CIF O1 0.0636(8) 0.0496(7) 0.0264(5) 0.0042(5) 0.0014(5) -0.0092(6)
> CIF O2 0.0558(7) 0.0346(6) 0.0430(6) 0.0045(5) 0.0007(5) 0.0071(5)
> CIF O3 0.0607(7) 0.0347(6) 0.0472(7) -0.0076(5) 0.0197(5) -0.0013(5)
> CIF N1 0.0352(6) 0.0305(6) 0.0339(6) 0.0050(5) 0.0074(5) -0.0003(5)
> CIF N2 0.0379(6) 0.0339(6) 0.0259(6) 0.0011(5) 0.0061(5) -0.0017(5)
> CIF C1 0.0332(7) 0.0360(8) 0.0272(7) 0.0010(6) 0.0042(5) -0.0080(6)
> CIF C2 0.0385(8) 0.0339(8) 0.0311(7) -0.0050(6) 0.0071(6) -0.0036(6)
> CIF C3 0.0314(7) 0.0291(7) 0.0329(7) 0.0005(5) 0.0043(6) -0.0034(5)
> CIF C4 0.0331(7) 0.0302(7) 0.0346(7) -0.0002(6) 0.0099(6) -0.0052(6)
> CIF C5 0.0487(10) 0.0393(9) 0.0512(10) 0.0148(7) 0.0133(8) 0.0074(7)
> CIF N3 0.0396(7) 0.0287(6) 0.0308(6) 0.0030(5) 0.0095(5) 0.0019(5)
> CIF N4 0.0619(9) 0.0325(8) 0.0486(8) -0.0050(6) 0.0104(7) -0.0075(7)
> CIF N5 0.0589(9) 0.0378(7) 0.0329(7) 0.0004(6) 0.0025(6) -0.0069(6)
> CIF C6 0.0615(12) 0.0540(11) 0.0272(8) 0.0026(7) 0.0089(8) 0.0049(9)
> CIF C7 0.0412(8) 0.0304(7) 0.0428(8) -0.0007(6) 0.0183(6) 0.0027(6)
> CIF C8 0.0526(10) 0.0315(8) 0.0578(10) 0.0108(7) 0.0224(8) 0.0069(7)
> CIF C9 0.0518(10) 0.0474(10) 0.0515(10) 0.0221(8) 0.0209(8) 0.0167(8)
> CIF C10 0.0433(9) 0.0491(9) 0.0335(8) 0.0093(7) 0.0096(7) 0.0104(7)
> CIF C11 0.0369(7) 0.0374(8) 0.0311(7) 0.0010(6) 0.0115(6) 0.0041(6)
> CIF loop_
> CIF _atom_type_symbol
> CIF _atom_type_description
> CIF _atom_type_scat_dispersion_real
> CIF _atom_type_scat_dispersion_imag
> CIF _atom_type_scat_source
> CIF O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF loop_
> CIF _geom_angle_atom_site_label_1
> CIF _geom_angle_atom_site_label_2
> CIF _geom_angle_atom_site_label_3
> CIF _geom_angle
> CIF C4 N1 C1 123.12(12)
> CIF C4 N1 C5 116.73(13)
> CIF C1 N1 C5 120.00(13)
> CIF C4 N2 C3 123.07(12)
> CIF C4 N2 C6 116.91(13)
> CIF C3 N2 C6 119.85(13)
> CIF O1 C1 C2 125.87(14)
> CIF O1 C1 N1 117.52(13)
> CIF C2 C1 N1 116.62(12)
> CIF C3 C2 C1 122.69(14)
> CIF C3 C2 H2 117.7(10)
> CIF C1 C2 H2 119.6(10)
> CIF O2 C3 C2 125.80(14)
> CIF O2 C3 N2 117.29(13)
> CIF C2 C3 N2 116.91(13)
> CIF O3 C4 N2 121.38(13)
> CIF O3 C4 N1 121.36(14)
> CIF N2 C4 N1 117.26(12)
> CIF N1 C5 H51 110.1(13)
> CIF N1 C5 H52 110.7(13)
> CIF H51 C5 H52 111.5(18)
> CIF N1 C5 H53 107.6(13)
> CIF H51 C5 H53 107.4(18)
> CIF H52 C5 H53 109.4(18)
> CIF C7 N3 C11 124.13(13)
> CIF C7 N3 H30 116.0(11)
> CIF C11 N3 H30 119.5(11)
> CIF C7 N4 H410 116.1(13)
> CIF C7 N4 H420 117.1(13)
> CIF H410 N4 H420 120.4(18)
> CIF C11 N5 H510 122.6(12)
> CIF C11 N5 H520 118.6(13)
> CIF H510 N5 H520 117.8(19)
> CIF N2 C6 H61 108.4(14)
> CIF N2 C6 H62 109.2(14)
> CIF H61 C6 H62 107(2)
> CIF N2 C6 H63 109.2(15)
> CIF H61 C6 H63 113(2)
> CIF H62 C6 H63 110(2)
> CIF N4 C7 N3 116.43(14)
> CIF N4 C7 C8 125.26(15)
> CIF N3 C7 C8 118.31(15)
> CIF C9 C8 C7 118.26(16)
> CIF C9 C8 H8 122.5(12)
> CIF C7 C8 H8 119.2(12)
> CIF C10 C9 C8 122.69(15)
> CIF C10 C9 H9 117.6(12)
> CIF C8 C9 H9 119.7(11)
> CIF C9 C10 C11 118.72(16)
> CIF C9 C10 H10 123.2(12)
> CIF C11 C10 H10 118.0(12)
> CIF N5 C11 N3 116.73(14)
> CIF N5 C11 C10 125.45(15)
> CIF N3 C11 C10 117.82(14)
> CIF loop_
> CIF _geom_bond_atom_site_label_1
> CIF _geom_bond_atom_site_label_2
> CIF _geom_bond_distance
> CIF O1 C1 1.2522(17)
> CIF O2 C3 1.2565(18)
> CIF O3 C4 1.2280(18)
> CIF N1 C4 1.3702(18)
> CIF N1 C1 1.4075(19)
> CIF N1 C5 1.459(2)
> CIF N2 C4 1.3651(19)
> CIF N2 C3 1.4050(19)
> CIF N2 C6 1.4614(19)
> CIF C1 C2 1.385(2)
> CIF C2 C3 1.382(2)
> CIF C2 H2 0.946(17)
> CIF C5 H51 1.00(2)
> CIF C5 H52 0.97(2)
> CIF C5 H53 0.95(2)
> CIF N3 C7 1.3596(19)
> CIF N3 C11 1.3616(18)
> CIF N3 H30 0.918(18)
> CIF N4 C7 1.341(2)
> CIF N4 H410 0.93(2)
> CIF N4 H420 0.89(2)
> CIF N5 C11 1.330(2)
> CIF N5 H510 0.93(2)
> CIF N5 H520 0.90(2)
> CIF C6 H61 1.02(3)
> CIF C6 H62 0.99(3)
> CIF C6 H63 0.94(3)
> CIF C7 C8 1.384(2)
> CIF C8 C9 1.379(3)
> CIF C8 H8 0.98(2)
> CIF C9 C10 1.369(3)
> CIF C9 H9 0.97(2)
> CIF C10 C11 1.388(2)
> CIF C10 H10 0.96(2)
> CIF data_(6)
> CIF _chemical_formula_sum            'C17 H20 N6 O7'
> CIF _chemical_formula_weight         420.39
> CIF _chemical_name_systematic
> CIF ; 
> CIF 5'-hydroxy-5,5'-bi-(1,3-dimethylbarbituric acid).
> CIF 4-aminopyridine
> CIF ;
> CIF _space_group_IT_number           2
> CIF _symmetry_cell_setting           triclinic
> CIF _symmetry_space_group_name_Hall  '-P 1'
> CIF _symmetry_space_group_name_H-M   'P -1'
> CIF _atom_sites_solution_hydrogens   difmap
> CIF _atom_sites_solution_primary     direct
> CIF _atom_sites_solution_secondary   difmap
> CIF _audit_creation_method           SHELXL-97
> CIF _cell_angle_alpha                107.720(10)
> CIF _cell_angle_beta                 109.660(10)
> CIF _cell_angle_gamma                66.160(10)
> CIF _cell_formula_units_Z            2
> CIF _cell_length_a                   10.111(2)
> CIF _cell_length_b                   11.747(2)
> CIF _cell_length_c                   9.369(2)
> CIF _cell_measurement_reflns_used    25
> CIF _cell_measurement_temperature    293(2)
> CIF _cell_measurement_theta_max      13
> CIF _cell_measurement_theta_min      9
> CIF _cell_volume                     940.0(3)
> CIF _computing_cell_refinement       'CAD4 Enraf-Nonius, 1984'
> CIF _computing_data_collection       'CAD4 Enraf-Nonius, 1984'
> CIF _computing_data_reduction        'MolEN, C.K. Fair, Enraf-Nonius, 1990'
> CIF _computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
> CIF _computing_publication_material
> CIF ;
> CIF SHELXL-97 (Sheldrick, 1997), Nardelli( 1983, 1995) 
> CIF ;
> CIF _computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
> CIF _computing_structure_solution    'SIR92 (Altomare et al., 1994)'
> CIF _diffrn_ambient_temperature      293(2)
> CIF _diffrn_measured_fraction_theta_full 0.999
> CIF _diffrn_measured_fraction_theta_max 0.999
> CIF _diffrn_measurement_device_type  'Enraf-Nonius CAD4'
> CIF _diffrn_measurement_method       \w/2\q
> CIF _diffrn_radiation_monochromator  graphite
> CIF _diffrn_radiation_source         'fine-focus sealed tube'
> CIF _diffrn_radiation_type           MoK\a
> CIF _diffrn_radiation_wavelength     0.71073
> CIF _diffrn_reflns_av_R_equivalents  0.009
> CIF _diffrn_reflns_av_sigmaI/netI    0.0150
> CIF _diffrn_reflns_limit_h_max       13
> CIF _diffrn_reflns_limit_h_min       0
> CIF _diffrn_reflns_limit_k_max       15
> CIF _diffrn_reflns_limit_k_min       -13
> CIF _diffrn_reflns_limit_l_max       11
> CIF _diffrn_reflns_limit_l_min       -12
> CIF _diffrn_reflns_number            4782
> CIF _diffrn_reflns_theta_full        27.97
> CIF _diffrn_reflns_theta_max         27.97
> CIF _diffrn_reflns_theta_min         2.27
> CIF _diffrn_standards_decay_%        0
> CIF _diffrn_standards_interval_time  120
> CIF _diffrn_standards_number         3
> CIF _exptl_absorpt_coefficient_mu    0.118
> CIF _exptl_absorpt_correction_type   none
> CIF _exptl_crystal_colour            colourless
> CIF _exptl_crystal_density_diffrn    1.485
> CIF _exptl_crystal_density_method    'not measured'
> CIF _exptl_crystal_description       prismatic
> CIF _exptl_crystal_F_000             440
> CIF _exptl_crystal_size_max          0.55
> CIF _exptl_crystal_size_mid          0.45
> CIF _exptl_crystal_size_min          0.20
> CIF _refine_diff_density_max         0.256
> CIF _refine_diff_density_min         -0.244
> CIF _refine_diff_density_rms         0.060
> CIF _refine_ls_extinction_method     none
> CIF _refine_ls_goodness_of_fit_ref   1.043
> CIF _refine_ls_hydrogen_treatment    refall
> CIF _refine_ls_matrix_type           full
> CIF _refine_ls_number_parameters     351
> CIF _refine_ls_number_reflns         4524
> CIF _refine_ls_number_restraints     0
> CIF _refine_ls_restrained_S_all      1.043
> CIF _refine_ls_R_factor_all          0.0478
> CIF _refine_ls_R_factor_gt           0.0402
> CIF _refine_ls_shift/su_max          0.025
> CIF _refine_ls_shift/su_mean         0.002
> CIF _refine_ls_structure_factor_coef Fsqd
> CIF _refine_ls_weighting_details
> CIF 'calc w=1/[\s^2^(Fo^2^)+(0.0667P)^2^+0.1839P] where P=(Fo^2^+2Fc^2^)/3'
> CIF _refine_ls_weighting_scheme      calc
> CIF _refine_ls_wR_factor_gt          0.1119
> CIF _refine_ls_wR_factor_ref         0.1160
> CIF _reflns_number_gt                3840
> CIF _reflns_number_total             4524
> CIF _reflns_threshold_expression     I>2sigma(I)
> CIF _cod_data_source_file            b008262g-missing-closing-quote.cif
> CIF _cod_data_source_block           (6)
> CIF loop_
> CIF _symmetry_equiv_pos_as_xyz
> CIF 'x, y, z'
> CIF '-x, -y, -z'
> CIF loop_
> CIF _atom_site_label
> CIF _atom_site_type_symbol
> CIF _atom_site_fract_x
> CIF _atom_site_fract_y
> CIF _atom_site_fract_z
> CIF _atom_site_U_iso_or_equiv
> CIF _atom_site_adp_type
> CIF _atom_site_occupancy
> CIF _atom_site_symmetry_multiplicity
> CIF _atom_site_calc_flag
> CIF O11 O 0.11819(11) -0.39409(9) 0.10553(11) 0.0429(2) Uani 1 1 d
> CIF O21 O 0.30223(10) -0.08601(8) 0.47127(10) 0.0359(2) Uani 1 1 d
> CIF O31 O 0.36601(14) -0.45324(10) 0.59570(13) 0.0550(3) Uani 1 1 d
> CIF N11 N 0.23580(13) -0.42005(9) 0.35316(13) 0.0381(2) Uani 1 1 d
> CIF N21 N 0.33669(11) -0.27079(9) 0.53322(12) 0.0330(2) Uani 1 1 d
> CIF C11 C 0.17839(13) -0.34681(10) 0.23919(14) 0.0314(2) Uani 1 1 d
> CIF C21 C 0.19051(12) -0.22561(10) 0.28425(13) 0.0281(2) Uani 1 1 d
> CIF C31 C 0.27535(12) -0.18787(10) 0.43004(13) 0.0276(2) Uani 1 1 d
> CIF C41 C 0.31603(14) -0.38587(11) 0.49962(15) 0.0368(3) Uani 1 1 d
> CIF C51 C 0.2051(3) -0.53918(16) 0.3153(3) 0.0635(5) Uani 1 1 d
> CIF C61 C 0.4173(2) -0.22838(18) 0.68921(18) 0.0507(4) Uani 1 1 d
> CIF O12 O 0.29101(14) -0.22898(10) 0.01730(14) 0.0558(3) Uani 1 1 d
> CIF O22 O -0.07136(12) 0.01175(10) 0.30389(15) 0.0531(3) Uani 1 1 d
> CIF O32 O 0.23611(12) 0.17875(9) 0.25236(13) 0.0494(3) Uani 1 1 d
> CIF O42 O 0.00346(11) -0.16731(10) 0.05019(11) 0.0423(2) Uani 1 1 d
> CIF N12 N 0.26747(11) -0.02664(9) 0.13845(11) 0.0316(2) Uani 1 1 d
> CIF N22 N 0.07518(12) 0.09797(9) 0.27009(12) 0.0335(2) Uani 1 1 d
> CIF C12 C 0.23242(14) -0.13481(11) 0.10217(14) 0.0329(2) Uani 1 1 d
> CIF C22 C 0.11662(13) -0.13403(10) 0.17356(13) 0.0295(2) Uani 1 1 d
> CIF C32 C 0.03271(13) -0.00254(11) 0.25705(14) 0.0331(2) Uani 1 1 d
> CIF C42 C 0.19518(13) 0.08904(11) 0.22294(14) 0.0323(2) Uani 1 1 d
> CIF C52 C 0.37899(18) -0.02716(16) 0.07079(19) 0.0455(3) Uani 1 1 d
> CIF C62 C -0.0105(2) 0.22397(13) 0.3439(2) 0.0502(4) Uani 1 1 d
> CIF N1 N 0.28495(14) 0.14202(11) 0.66424(14) 0.0445(3) Uani 1 1 d
> CIF N2 N 0.30622(19) 0.49675(12) 0.8685(2) 0.0590(4) Uani 1 1 d
> CIF C1 C 0.30072(15) 0.38055(11) 0.80346(15) 0.0366(3) Uani 1 1 d
> CIF C2 C 0.37953(16) 0.30182(13) 0.69009(17) 0.0414(3) Uani 1 1 d
> CIF C3 C 0.36927(17) 0.18525(13) 0.62433(16) 0.0440(3) Uani 1 1 d
> CIF C4 C 0.20991(17) 0.21349(14) 0.77291(18) 0.0461(3) Uani 1 1 d
> CIF C5 C 0.21605(16) 0.33085(13) 0.84423(17) 0.0426(3) Uani 1 1 d
> CIF H511 H 0.099(4) -0.523(3) 0.269(4) 0.122(11) Uiso 1 1 d
> CIF H521 H 0.257(3) -0.583(3) 0.392(3) 0.108(9) Uiso 1 1 d
> CIF H531 H 0.234(4) -0.592(4) 0.217(4) 0.136(12) Uiso 1 1 d
> CIF H611 H 0.501(3) -0.213(2) 0.684(3) 0.088(7) Uiso 1 1 d
> CIF H621 H 0.449(3) -0.287(3) 0.747(3) 0.106(9) Uiso 1 1 d
> CIF H631 H 0.350(3) -0.155(3) 0.738(3) 0.109(9) Uiso 1 1 d
> CIF H42 H 0.032(2) -0.249(2) 0.041(2) 0.056(5) Uiso 1 1 d
> CIF H512 H 0.447(2) -0.116(2) 0.043(3) 0.074(6) Uiso 1 1 d
> CIF H522 H 0.447(3) 0.010(3) 0.146(3) 0.101(8) Uiso 1 1 d
> CIF H532 H 0.336(3) 0.004(2) -0.017(3) 0.083(7) Uiso 1 1 d
> CIF H612 H -0.103(3) 0.250(2) 0.279(3) 0.080(7) Uiso 1 1 d
> CIF H622 H -0.022(3) 0.213(3) 0.440(3) 0.099(8) Uiso 1 1 d
> CIF H632 H 0.039(3) 0.278(3) 0.375(3) 0.098(8) Uiso 1 1 d
> CIF H1 H 0.280(2) 0.064(2) 0.612(3) 0.070(6) Uiso 1 1 d
> CIF H21 H 0.254(3) 0.542(2) 0.941(3) 0.076(6) Uiso 1 1 d
> CIF H22 H 0.359(3) 0.526(2) 0.833(3) 0.084(7) Uiso 1 1 d
> CIF H2 H 0.442(2) 0.3299(17) 0.661(2) 0.051(4) Uiso 1 1 d
> CIF H3 H 0.426(2) 0.128(2) 0.549(2) 0.065(5) Uiso 1 1 d
> CIF H4 H 0.152(2) 0.1782(18) 0.790(2) 0.054(5) Uiso 1 1 d
> CIF H5 H 0.158(2) 0.3783(19) 0.916(2) 0.062(5) Uiso 1 1 d
> CIF loop_
> CIF _atom_site_aniso_label
> CIF _atom_site_aniso_U_11
> CIF _atom_site_aniso_U_22
> CIF _atom_site_aniso_U_33
> CIF _atom_site_aniso_U_23
> CIF _atom_site_aniso_U_13
> CIF _atom_site_aniso_U_12
> CIF O11 0.0564(6) 0.0304(4) 0.0422(5) -0.0053(4) 0.0130(4) -0.0231(4)
> CIF O21 0.0468(5) 0.0281(4) 0.0365(4) 0.0001(3) 0.0102(4) -0.0207(4)
> CIF O31 0.0711(7) 0.0432(6) 0.0578(6) 0.0255(5) 0.0176(5) -0.0135(5)
> CIF N11 0.0490(6) 0.0210(4) 0.0488(6) 0.0058(4) 0.0169(5) -0.0130(4)
> CIF N21 0.0372(5) 0.0298(5) 0.0333(5) 0.0068(4) 0.0100(4) -0.0108(4)
> CIF C11 0.0362(6) 0.0229(5) 0.0378(6) 0.0002(4) 0.0156(5) -0.0114(4)
> CIF C21 0.0341(5) 0.0221(5) 0.0314(5) 0.0030(4) 0.0113(4) -0.0116(4)
> CIF C31 0.0309(5) 0.0226(5) 0.0321(5) 0.0022(4) 0.0137(4) -0.0091(4)
> CIF C41 0.0412(6) 0.0284(6) 0.0444(7) 0.0111(5) 0.0182(5) -0.0060(5)
> CIF C51 0.0848(13) 0.0304(7) 0.0823(13) 0.0147(8) 0.0139(11) -0.0287(8)
> CIF C61 0.0533(9) 0.0596(9) 0.0379(7) 0.0139(7) 0.0002(6) -0.0233(8)
> CIF O12 0.0811(8) 0.0357(5) 0.0643(7) -0.0090(5) 0.0485(6) -0.0217(5)
> CIF O22 0.0507(6) 0.0395(5) 0.0816(8) 0.0097(5) 0.0397(6) -0.0100(4)
> CIF O32 0.0583(6) 0.0373(5) 0.0600(6) -0.0007(4) 0.0148(5) -0.0306(5)
> CIF O42 0.0464(5) 0.0418(5) 0.0387(5) 0.0107(4) -0.0020(4) -0.0228(4)
> CIF N12 0.0359(5) 0.0310(5) 0.0340(5) 0.0057(4) 0.0121(4) -0.0149(4)
> CIF N22 0.0386(5) 0.0217(4) 0.0399(5) 0.0043(4) 0.0142(4) -0.0074(4)
> CIF C12 0.0422(6) 0.0281(5) 0.0328(6) 0.0040(4) 0.0145(5) -0.0131(5)
> CIF C22 0.0349(5) 0.0247(5) 0.0320(5) 0.0039(4) 0.0095(4) -0.0132(4)
> CIF C32 0.0347(6) 0.0272(5) 0.0399(6) 0.0085(4) 0.0131(5) -0.0082(4)
> CIF C42 0.0368(6) 0.0287(5) 0.0326(5) 0.0054(4) 0.0056(4) -0.0149(4)
> CIF C52 0.0485(8) 0.0549(9) 0.0473(8) 0.0088(7) 0.0205(6) -0.0253(7)
> CIF C62 0.0520(9) 0.0263(6) 0.0647(10) -0.0008(6) 0.0238(8) -0.0049(6)
> CIF N1 0.0534(7) 0.0272(5) 0.0455(6) 0.0003(4) 0.0047(5) -0.0173(5)
> CIF N2 0.0781(10) 0.0319(6) 0.0725(9) -0.0083(6) 0.0333(8) -0.0252(6)
> CIF C1 0.0428(6) 0.0267(5) 0.0402(6) 0.0021(5) 0.0131(5) -0.0124(5)
> CIF C2 0.0479(7) 0.0343(6) 0.0480(7) 0.0082(5) 0.0228(6) -0.0106(5)
> CIF C3 0.0543(8) 0.0336(6) 0.0368(6) 0.0018(5) 0.0169(6) -0.0066(6)
> CIF C4 0.0454(7) 0.0423(7) 0.0584(9) 0.0102(6) 0.0130(6) -0.0221(6)
> CIF C5 0.0463(7) 0.0390(7) 0.0472(7) -0.0002(5) 0.0229(6) -0.0160(6)
> CIF loop_
> CIF _atom_type_symbol
> CIF _atom_type_description
> CIF _atom_type_scat_dispersion_real
> CIF _atom_type_scat_dispersion_imag
> CIF _atom_type_scat_source
> CIF O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF loop_
> CIF _geom_angle_atom_site_label_1
> CIF _geom_angle_atom_site_label_2
> CIF _geom_angle_atom_site_label_3
> CIF _geom_angle
> CIF C41 N11 C11 123.99(10)
> CIF C41 N11 C51 117.88(13)
> CIF C11 N11 C51 118.11(13)
> CIF C41 N21 C31 123.62(10)
> CIF C41 N21 C61 118.30(11)
> CIF C31 N21 C61 117.90(11)
> CIF O11 C11 N11 117.60(10)
> CIF O11 C11 C21 125.35(11)
> CIF N11 C11 C21 117.04(10)
> CIF C31 C21 C11 120.82(10)
> CIF C31 C21 C22 118.38(9)
> CIF C11 C21 C22 120.75(10)
> CIF O21 C31 C21 123.69(10)
> CIF O21 C31 N21 118.63(10)
> CIF C21 C31 N21 117.66(10)
> CIF O31 C41 N11 122.10(12)
> CIF O31 C41 N21 121.62(13)
> CIF N11 C41 N21 116.28(10)
> CIF N11 C51 H511 109.1(19)
> CIF N11 C51 H521 110.5(18)
> CIF H511 C51 H521 123(3)
> CIF N11 C51 H531 110(2)
> CIF H511 C51 H531 93(3)
> CIF H521 C51 H531 109(3)
> CIF N21 C61 H611 109.2(15)
> CIF N21 C61 H621 110.8(19)
> CIF H611 C61 H621 110(2)
> CIF N21 C61 H631 108.7(18)
> CIF H611 C61 H631 112(2)
> CIF H621 C61 H631 106(3)
> CIF C22 O42 H42 103.0(12)
> CIF C12 N12 C42 125.16(10)
> CIF C12 N12 C52 118.17(11)
> CIF C42 N12 C52 116.36(10)
> CIF C32 N22 C42 124.79(10)
> CIF C32 N22 C62 117.64(11)
> CIF C42 N22 C62 117.55(11)
> CIF O12 C12 N12 121.78(11)
> CIF O12 C12 C22 120.24(11)
> CIF N12 C12 C22 117.98(10)
> CIF O42 C22 C21 112.48(9)
> CIF O42 C22 C12 106.95(9)
> CIF C21 C22 C12 109.61(9)
> CIF O42 C22 C32 103.56(10)
> CIF C21 C22 C32 109.55(9)
> CIF C12 C22 C32 114.61(9)
> CIF O22 C32 N22 121.26(11)
> CIF O22 C32 C22 120.35(11)
> CIF N22 C32 C22 118.33(10)
> CIF O32 C42 N22 121.40(12)
> CIF O32 C42 N12 120.51(12)
> CIF N22 C42 N12 118.09(10)
> CIF N12 C52 H512 110.2(13)
> CIF N12 C52 H522 110.8(16)
> CIF H512 C52 H522 101(2)
> CIF N12 C52 H532 111.6(16)
> CIF H512 C52 H532 107(2)
> CIF H522 C52 H532 116(2)
> CIF N22 C62 H612 108.3(15)
> CIF N22 C62 H622 106.5(15)
> CIF H612 C62 H622 109(2)
> CIF N22 C62 H632 111.9(18)
> CIF H612 C62 H632 115(2)
> CIF H622 C62 H632 105(2)
> CIF C4 N1 C3 120.57(12)
> CIF C4 N1 H1 122.8(14)
> CIF C3 N1 H1 116.6(14)
> CIF C1 N2 H21 117.1(15)
> CIF C1 N2 H22 117.7(15)
> CIF H21 N2 H22 125(2)
> CIF N2 C1 C5 121.55(13)
> CIF N2 C1 C2 121.34(13)
> CIF C5 C1 C2 117.11(12)
> CIF C3 C2 C1 119.81(13)
> CIF C3 C2 H2 119.7(11)
> CIF C1 C2 H2 120.5(11)
> CIF N1 C3 C2 121.34(12)
> CIF N1 C3 H3 117.4(12)
> CIF C2 C3 H3 121.2(12)
> CIF N1 C4 C5 121.17(13)
> CIF N1 C4 H4 114.8(12)
> CIF C5 C4 H4 123.9(12)
> CIF C4 C5 C1 119.98(13)
> CIF C4 C5 H5 117.9(12)
> CIF C1 C5 H5 122.0(12)
> CIF loop_
> CIF _geom_bond_atom_site_label_1
> CIF _geom_bond_atom_site_label_2
> CIF _geom_bond_distance
> CIF O11 C11 1.2586(15)
> CIF O21 C31 1.2514(13)
> CIF O31 C41 1.2232(16)
> CIF N11 C41 1.3715(18)
> CIF N11 C11 1.3985(16)
> CIF N11 C51 1.4682(17)
> CIF N21 C41 1.3767(16)
> CIF N21 C31 1.3962(15)
> CIF N21 C61 1.4601(18)
> CIF C11 C21 1.4002(15)
> CIF C21 C31 1.3959(16)
> CIF C21 C22 1.5162(15)
> CIF C51 H511 0.97(3)
> CIF C51 H521 0.90(3)
> CIF C51 H531 1.00(4)
> CIF C61 H611 0.96(3)
> CIF C61 H621 0.89(3)
> CIF C61 H631 0.95(3)
> CIF O12 C12 1.2078(16)
> CIF O22 C32 1.2047(15)
> CIF O32 C42 1.2070(15)
> CIF O42 C22 1.4123(14)
> CIF O42 H42 0.87(2)
> CIF N12 C12 1.3697(15)
> CIF N12 C42 1.3925(16)
> CIF N12 C52 1.4650(16)
> CIF N22 C32 1.3712(15)
> CIF N22 C42 1.3813(16)
> CIF N22 C62 1.4708(16)
> CIF C12 C22 1.5273(16)
> CIF C22 C32 1.5392(16)
> CIF C52 H512 1.00(2)
> CIF C52 H522 0.95(3)
> CIF C52 H532 0.90(2)
> CIF C62 H612 0.91(3)
> CIF C62 H622 1.00(3)
> CIF C62 H632 0.89(3)
> CIF N1 C4 1.342(2)
> CIF N1 C3 1.343(2)
> CIF N1 H1 0.91(2)
> CIF N2 C1 1.3304(17)
> CIF N2 H21 0.90(2)
> CIF N2 H22 0.93(3)
> CIF C1 C5 1.4069(19)
> CIF C1 C2 1.4122(18)
> CIF C2 C3 1.350(2)
> CIF C2 H2 0.961(18)
> CIF C3 H3 0.98(2)
> CIF C4 C5 1.353(2)
> CIF C4 H4 0.920(19)
> CIF C5 H5 0.94(2)
tests/cases/cod_predeposition_check_019.opt: FAILED:
1,22c1,2004
< scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif(3): WARNING, stray CIF values at the beginning of the input file.
< scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif(8) data_compound_2: WARNING, the dataname apparently had spaces in it -- replaced spaces with underscores.
< scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_2: NOTE, string with spaces without quotes -- fixed.
< scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif(761) data_compound_3: WARNING, the dataname apparently had spaces in it -- replaced spaces with underscores.
< scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_3: NOTE, string with spaces without quotes -- fixed.
< scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif(1704) data_compound_7: WARNING, the dataname apparently had spaces in it -- replaced spaces with underscores.
< scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_7: NOTE, string with spaces without quotes -- fixed.
< scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif: NOTE, 7 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_2: WARNING, _journal_name_full is undefined.
< scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_2: WARNING, _publ_section_title is undefined.
< scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_2: WARNING, neither _journal_year nor _journal_volume is defined.
< scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_2: WARNING, neither _journal_page_first nor _journal_article_reference is defined.
< scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_3: WARNING, _journal_name_full is undefined.
< scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_3: WARNING, _publ_section_title is undefined.
< scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_3: WARNING, neither _journal_year nor _journal_volume is defined.
< scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_3: WARNING, neither _journal_page_first nor _journal_article_reference is defined.
< scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_7: WARNING, _journal_name_full is undefined.
< scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_7: WARNING, _publ_section_title is undefined.
< scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_7: WARNING, neither _journal_year nor _journal_volume is defined.
< scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_7: WARNING, neither _journal_page_first nor _journal_article_reference is defined.
< scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif: NOTE, 12 WARNING(s) encountered.
< scripts/cod_predeposition_check: cif_cod_check encountered 12 warning(s).
---
> scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif(3): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif(8) data_compound_2: WARNING, the dataname apparently had spaces in it -- replaced spaces with underscores.scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif(751) data_compound_2: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif(761) data_compound_3: WARNING, the dataname apparently had spaces in it -- replaced spaces with underscores.scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif(1695) data_compound_3: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif(1704) data_compound_7: WARNING, the dataname apparently had spaces in it -- replaced spaces with underscores.scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif(2203) data_compound_7: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_2: WARNING, data item '_publ_section_title' is absent.
> scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_3: WARNING, data item '_publ_section_title' is absent.
> scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_7: WARNING, data item '_publ_section_title' is absent.
> CIF data_compound_2
> CIF _chemical_formula_sum            'C41 H52 Al O P'
> CIF _chemical_formula_weight         618.78
> CIF _chemical_name_systematic
> CIF ; 
> CIF  ? 
> CIF ;
> CIF _space_group_IT_number           19
> CIF _symmetry_cell_setting           orthorhombic
> CIF _symmetry_space_group_name_Hall  'P 2ac 2ab'
> CIF _symmetry_space_group_name_H-M   'P 21 21 21'
> CIF _atom_sites_solution_hydrogens   geom
> CIF _atom_sites_solution_primary     direct
> CIF _atom_sites_solution_secondary   difmap
> CIF _audit_creation_method           SHELXL-97
> CIF _cell_angle_alpha                90.00
> CIF _cell_angle_beta                 90.00
> CIF _cell_angle_gamma                90.00
> CIF _cell_formula_units_Z            4
> CIF _cell_length_a                   8.7589(4)
> CIF _cell_length_b                   18.6819(9)
> CIF _cell_length_c                   22.0981(10)
> CIF _cell_measurement_reflns_used    5998
> CIF _cell_measurement_temperature    153(2)
> CIF _cell_measurement_theta_max      colourless
> CIF _cell_measurement_theta_min      3.10
> CIF _cell_volume                     3616.0(3)
> CIF _computing_cell_refinement       'Bruker SAINT+'
> CIF _computing_data_collection       'Bruker SMART'
> CIF _computing_data_reduction        'Bruker SHELXTL'
> CIF _computing_molecular_graphics    'Bruker SHELXTL'
> CIF _computing_publication_material  'Bruker SHELXTL'
> CIF _computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
> CIF _computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
> CIF _diffrn_ambient_temperature      153(2)
> CIF _diffrn_measured_fraction_theta_full 0.977
> CIF _diffrn_measured_fraction_theta_max 0.977
> CIF _diffrn_measurement_device_type  'CCD area detector'
> CIF _diffrn_measurement_method       'omega scans'
> CIF _diffrn_radiation_monochromator  graphite
> CIF _diffrn_radiation_source         'rotating anode'
> CIF _diffrn_radiation_type           CuK\a
> CIF _diffrn_radiation_wavelength     1.54178
> CIF _diffrn_reflns_av_R_equivalents  0.0591
> CIF _diffrn_reflns_av_sigmaI/netI    0.0598
> CIF _diffrn_reflns_limit_h_max       8
> CIF _diffrn_reflns_limit_h_min       -10
> CIF _diffrn_reflns_limit_k_max       21
> CIF _diffrn_reflns_limit_k_min       -22
> CIF _diffrn_reflns_limit_l_max       23
> CIF _diffrn_reflns_limit_l_min       -27
> CIF _diffrn_reflns_number            21416
> CIF _diffrn_reflns_theta_full        72.39
> CIF _diffrn_reflns_theta_max         72.39
> CIF _diffrn_reflns_theta_min         3.10
> CIF _exptl_absorpt_coefficient_mu    1.120
> CIF _exptl_absorpt_correction_T_max  0.9461
> CIF _exptl_absorpt_correction_T_min  0.7749
> CIF _exptl_absorpt_correction_type   empirical
> CIF _exptl_absorpt_process_details   SADABS
> CIF _exptl_crystal_colour            colourless
> CIF _exptl_crystal_density_diffrn    1.137
> CIF _exptl_crystal_density_method    'not measured'
> CIF _exptl_crystal_description       rod
> CIF _exptl_crystal_F_000             1336
> CIF _exptl_crystal_size_max          0.24
> CIF _exptl_crystal_size_mid          0.06
> CIF _exptl_crystal_size_min          0.05
> CIF _refine_diff_density_max         0.474
> CIF _refine_diff_density_min         -0.296
> CIF _refine_diff_density_rms
> CIF '0.054 =========================================================================================================================== Compound 3'
> CIF _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
> CIF _refine_ls_abs_structure_Flack   0.00(2)
> CIF _refine_ls_extinction_method     none
> CIF _refine_ls_goodness_of_fit_ref   1.037
> CIF _refine_ls_hydrogen_treatment    constr.
> CIF _refine_ls_matrix_type           full
> CIF _refine_ls_number_parameters     409
> CIF _refine_ls_number_reflns         6882
> CIF _refine_ls_number_restraints     0
> CIF _refine_ls_restrained_S_all      1.037
> CIF _refine_ls_R_factor_all          0.0521
> CIF _refine_ls_R_factor_gt           0.0467
> CIF _refine_ls_shift/su_max          0.000
> CIF _refine_ls_shift/su_mean         0.000
> CIF _refine_ls_structure_factor_coef Fsqd
> CIF _refine_ls_weighting_details
> CIF 'calc w=1/[\s^2^(Fo^2^)+(0.0787P)^2^+0.0939P] where P=(Fo^2^+2Fc^2^)/3'
> CIF _refine_ls_weighting_scheme      calc
> CIF _refine_ls_wR_factor_gt          0.1184
> CIF _refine_ls_wR_factor_ref         0.1218
> CIF _reflns_number_gt                6288
> CIF _reflns_number_total             6882
> CIF _reflns_threshold_expression     >2sigma(I)
> CIF _cod_data_source_file            om400620h_si_001.cif
> CIF _cod_data_source_block           compound_2
> CIF _cod_original_sg_symbol_H-M      P212121
> CIF loop_
> CIF _symmetry_equiv_pos_as_xyz
> CIF 'x, y, z'
> CIF '-x+1/2, -y, z+1/2'
> CIF '-x, y+1/2, -z+1/2'
> CIF 'x+1/2, -y+1/2, -z'
> CIF loop_
> CIF _atom_site_label
> CIF _atom_site_type_symbol
> CIF _atom_site_fract_x
> CIF _atom_site_fract_y
> CIF _atom_site_fract_z
> CIF _atom_site_U_iso_or_equiv
> CIF _atom_site_adp_type
> CIF _atom_site_occupancy
> CIF _atom_site_symmetry_multiplicity
> CIF _atom_site_calc_flag
> CIF _atom_site_refinement_flags
> CIF C1 C 0.7430(2) 0.37046(12) 0.83142(10) 0.0222(4) Uani 1 1 d .
> CIF C2 C 0.6926(3) 0.31921(13) 0.86985(11) 0.0255(5) Uani 1 1 d .
> CIF H2 H 0.7244 0.2709 0.8619 0.031 Uiso 1 1 calc R
> CIF C31 C 0.5943(3) 0.33079(13) 0.92238(11) 0.0269(5) Uani 1 1 d .
> CIF C32 C 0.5751(3) 0.27650(15) 0.96562(12) 0.0335(6) Uani 1 1 d .
> CIF H32 H 0.6273 0.2317 0.9608 0.040 Uiso 1 1 calc R
> CIF C33 C 0.4811(3) 0.28735(17) 1.01529(13) 0.0429(7) Uani 1 1 d .
> CIF H33 H 0.4694 0.2500 1.0448 0.051 Uiso 1 1 calc R
> CIF C34 C 0.4042(3) 0.35137(18) 1.02280(12) 0.0420(7) Uani 1 1 d .
> CIF H34 H 0.3406 0.3589 1.0576 0.050 Uiso 1 1 calc R
> CIF C35 C 0.4198(3) 0.40448(16) 0.97963(13) 0.0370(6) Uani 1 1 d .
> CIF H35 H 0.3644 0.4485 0.9840 0.044 Uiso 1 1 calc R
> CIF C36 C 0.5138(3) 0.39481(13) 0.93059(12) 0.0308(5) Uani 1 1 d .
> CIF H36 H 0.5245 0.4326 0.9014 0.037 Uiso 1 1 calc R
> CIF Al1 Al 0.77448(7) 0.48002(4) 0.84561(3) 0.02305(16) Uani 1 1 d .
> CIF C4 C 0.6092(3) 0.55047(13) 0.82041(13) 0.0325(6) Uani 1 1 d .
> CIF C41 C 0.6918(3) 0.62290(15) 0.81900(16) 0.0439(7) Uani 1 1 d .
> CIF H41A H 0.7817 0.6191 0.7944 0.053 Uiso 1 1 calc R
> CIF H41B H 0.7203 0.6363 0.8594 0.053 Uiso 1 1 calc R
> CIF H41C H 0.6251 0.6586 0.8024 0.053 Uiso 1 1 calc R
> CIF C42 C 0.5548(4) 0.53606(17) 0.75617(16) 0.0529(9) Uani 1 1 d .
> CIF H42A H 0.4997 0.4917 0.7551 0.063 Uiso 1 1 calc R
> CIF H42B H 0.6413 0.5331 0.7296 0.063 Uiso 1 1 calc R
> CIF H42C H 0.4892 0.5743 0.7433 0.063 Uiso 1 1 calc R
> CIF C43 C 0.4665(3) 0.55923(17) 0.86029(18) 0.0515(8) Uani 1 1 d .
> CIF H43A H 0.4096 0.6003 0.8472 0.062 Uiso 1 1 calc R
> CIF H43B H 0.4969 0.5656 0.9017 0.062 Uiso 1 1 calc R
> CIF H43C H 0.4038 0.5173 0.8569 0.062 Uiso 1 1 calc R
> CIF C5 C 0.8828(3) 0.50088(15) 0.92529(12) 0.0342(6) Uani 1 1 d .
> CIF C51 C 0.7829(4) 0.53907(19) 0.97198(14) 0.0505(8) Uani 1 1 d .
> CIF H51A H 0.6983 0.5089 0.9826 0.061 Uiso 1 1 calc R
> CIF H51B H 0.7455 0.5831 0.9551 0.061 Uiso 1 1 calc R
> CIF H51C H 0.8423 0.5492 1.0075 0.061 Uiso 1 1 calc R
> CIF C52 C 0.9457(3) 0.43337(17) 0.95507(13) 0.0422(7) Uani 1 1 d .
> CIF H52A H 1.0122 0.4091 0.9273 0.051 Uiso 1 1 calc R
> CIF H52B H 0.8627 0.4023 0.9659 0.051 Uiso 1 1 calc R
> CIF H52C H 1.0017 0.4462 0.9908 0.051 Uiso 1 1 calc R
> CIF C53 C 1.0195(3) 0.55034(17) 0.91059(14) 0.0444(7) Uani 1 1 d .
> CIF H53A H 1.0742 0.5610 0.9471 0.053 Uiso 1 1 calc R
> CIF H53B H 0.9828 0.5940 0.8929 0.053 Uiso 1 1 calc R
> CIF H53C H 1.0864 0.5267 0.8826 0.053 Uiso 1 1 calc R
> CIF P1 P 0.86270(6) 0.34196(3) 0.76918(2) 0.01999(13) Uani 1 1 d .
> CIF C61 C 0.9975(3) 0.27677(12) 0.80063(10) 0.0221(4) Uani 1 1 d .
> CIF C62 C 0.9562(3) 0.20328(12) 0.80281(11) 0.0257(5) Uani 1 1 d .
> CIF C63 C 1.0555(3) 0.15592(14) 0.83099(11) 0.0308(5) Uani 1 1 d .
> CIF H63 H 1.0292 0.1060 0.8319 0.037 Uiso 1 1 calc R
> CIF C64 C 1.1910(3) 0.17736(14) 0.85786(12) 0.0329(6) Uani 1 1 d .
> CIF C65 C 1.2284(3) 0.24974(14) 0.85491(11) 0.0307(5) Uani 1 1 d .
> CIF H65 H 1.3221 0.2658 0.8729 0.037 Uiso 1 1 calc R
> CIF C66 C 1.1349(3) 0.29915(12) 0.82682(10) 0.0247(5) Uani 1 1 d .
> CIF C621 C 0.8106(3) 0.17108(13) 0.77708(13) 0.0332(6) Uani 1 1 d .
> CIF H62A H 0.8263 0.1589 0.7353 0.040 Uiso 1 1 calc R
> CIF H62B H 0.7291 0.2052 0.7803 0.040 Uiso 1 1 calc R
> CIF H62C H 0.7846 0.1287 0.7994 0.040 Uiso 1 1 calc R
> CIF C641 C 1.2908(4) 0.12513(18) 0.89101(15) 0.0510(8) Uani 1 1 d .
> CIF H64A H 1.3948 0.1313 0.8784 0.061 Uiso 1 1 calc R
> CIF H64B H 1.2583 0.0772 0.8821 0.061 Uiso 1 1 calc R
> CIF H64C H 1.2830 0.1335 0.9338 0.061 Uiso 1 1 calc R
> CIF C661 C 1.1876(3) 0.37598(14) 0.82481(13) 0.0319(6) Uani 1 1 d .
> CIF H66A H 1.2502 0.3858 0.8595 0.038 Uiso 1 1 calc R
> CIF H66B H 1.1005 0.4071 0.8251 0.038 Uiso 1 1 calc R
> CIF H66C H 1.2457 0.3839 0.7886 0.038 Uiso 1 1 calc R
> CIF C71 C 0.7822(3) 0.30262(12) 0.70069(11) 0.0246(5) Uani 1 1 d .
> CIF C72 C 0.8866(3) 0.27559(12) 0.65765(11) 0.0277(5) Uani 1 1 d .
> CIF C73 C 0.8316(3) 0.24962(14) 0.60325(12) 0.0364(6) Uani 1 1 d .
> CIF H73 H 0.9026 0.2298 0.5747 0.044 Uiso 1 1 calc R
> CIF C74 C 0.6777(4) 0.25112(16) 0.58825(13) 0.0426(7) Uani 1 1 d .
> CIF C75 C 0.5774(3) 0.27883(16) 0.63052(13) 0.0392(6) Uani 1 1 d .
> CIF H75 H 0.4708 0.2809 0.6207 0.047 Uiso 1 1 calc R
> CIF C76 C 0.6254(3) 0.30394(13) 0.68699(11) 0.0282(5) Uani 1 1 d .
> CIF C721 C 1.0588(3) 0.27230(14) 0.66634(12) 0.0315(5) Uani 1 1 d .
> CIF H72A H 1.0851 0.2293 0.6877 0.038 Uiso 1 1 calc R
> CIF H72B H 1.0919 0.3131 0.6893 0.038 Uiso 1 1 calc R
> CIF H72C H 1.1082 0.2724 0.6276 0.038 Uiso 1 1 calc R
> CIF C741 C 0.6242(5) 0.2242(3) 0.52760(16) 0.0750(12) Uani 1 1 d .
> CIF H74A H 0.5187 0.2105 0.5303 0.090 Uiso 1 1 calc R
> CIF H74B H 0.6843 0.1835 0.5159 0.090 Uiso 1 1 calc R
> CIF H74C H 0.6354 0.2614 0.4980 0.090 Uiso 1 1 calc R
> CIF C761 C 0.5038(3) 0.32811(14) 0.72997(13) 0.0367(6) Uani 1 1 d .
> CIF H76A H 0.4115 0.3375 0.7080 0.044 Uiso 1 1 calc R
> CIF H76B H 0.5365 0.3710 0.7501 0.044 Uiso 1 1 calc R
> CIF H76C H 0.4854 0.2913 0.7594 0.044 Uiso 1 1 calc R
> CIF O1 O 0.91961(18) 0.48384(8) 0.78701(7) 0.0261(3) Uani 1 1 d .
> CIF C8 C 0.8997(3) 0.43791(11) 0.73930(10) 0.0231(5) Uani 1 1 d .
> CIF H1 H 0.8028 0.4519 0.7228 0.028 Uiso 1 1 calc R
> CIF C81 C 1.0084(3) 0.44842(12) 0.68728(10) 0.0252(5) Uani 1 1 d .
> CIF C82 C 0.9606(3) 0.43481(13) 0.62864(12) 0.0291(5) Uani 1 1 d .
> CIF H82 H 0.8567 0.4208 0.6214 0.035 Uiso 1 1 calc R
> CIF C83 C 1.0601(3) 0.44113(15) 0.58038(12) 0.0354(6) Uani 1 1 d .
> CIF H83 H 1.0256 0.4309 0.5401 0.042 Uiso 1 1 calc R
> CIF C84 C 1.2102(3) 0.46229(15) 0.59025(12) 0.0378(6) Uani 1 1 d .
> CIF H84 H 1.2807 0.4650 0.5570 0.045 Uiso 1 1 calc R
> CIF C85 C 1.2574(3) 0.47943(14) 0.64797(12) 0.0349(6) Uani 1 1 d .
> CIF H85 H 1.3601 0.4955 0.6547 0.042 Uiso 1 1 calc R
> CIF C86 C 1.1571(3) 0.47354(12) 0.69667(11) 0.0278(5) Uani 1 1 d .
> CIF H86 H 1.1900 0.4867 0.7366 0.033 Uiso 1 1 calc R
> CIF loop_
> CIF _atom_site_aniso_label
> CIF _atom_site_aniso_U_11
> CIF _atom_site_aniso_U_22
> CIF _atom_site_aniso_U_33
> CIF _atom_site_aniso_U_23
> CIF _atom_site_aniso_U_13
> CIF _atom_site_aniso_U_12
> CIF C1 0.0197(10) 0.0200(12) 0.0269(11) -0.0024(8) 0.0027(8) -0.0006(8)
> CIF C2 0.0254(11) 0.0179(12) 0.0332(13) -0.0010(9) 0.0003(9) -0.0008(8)
> CIF C31 0.0243(11) 0.0266(13) 0.0298(12) 0.0013(9) -0.0012(8) -0.0066(9)
> CIF C32 0.0284(12) 0.0333(15) 0.0388(14) 0.0083(10) 0.0002(10) -0.0036(10)
> CIF C33 0.0346(14) 0.0528(19) 0.0411(15) 0.0140(13) 0.0022(11) -0.0108(12)
> CIF C34 0.0392(14) 0.0564(19) 0.0304(14) -0.0053(12) 0.0100(11) -0.0114(13)
> CIF C35 0.0339(13) 0.0365(16) 0.0407(15) -0.0101(11) 0.0078(11) -0.0073(11)
> CIF C36 0.0275(12) 0.0258(13) 0.0391(14) -0.0008(10) 0.0046(10) -0.0058(10)
> CIF Al1 0.0212(3) 0.0177(3) 0.0303(4) -0.0051(3) 0.0031(2) -0.0024(2)
> CIF C4 0.0293(12) 0.0167(12) 0.0516(16) -0.0038(10) 0.0019(10) 0.0023(9)
> CIF C41 0.0423(15) 0.0190(14) 0.070(2) -0.0039(12) 0.0118(13) -0.0003(11)
> CIF C42 0.0571(19) 0.0296(17) 0.072(2) -0.0012(14) -0.0220(16) 0.0167(13)
> CIF C43 0.0331(14) 0.0331(17) 0.088(2) 0.0127(15) 0.0147(15) 0.0078(12)
> CIF C5 0.0303(12) 0.0365(15) 0.0356(14) -0.0102(10) 0.0029(10) -0.0108(10)
> CIF C51 0.0472(17) 0.060(2) 0.0442(17) -0.0232(15) 0.0073(13) -0.0143(15)
> CIF C52 0.0374(14) 0.060(2) 0.0292(14) -0.0007(12) -0.0046(11) -0.0118(13)
> CIF C53 0.0369(14) 0.0463(17) 0.0500(17) -0.0107(13) -0.0039(12) -0.0187(13)
> CIF P1 0.0198(2) 0.0138(3) 0.0264(3) -0.0004(2) 0.0012(2) 0.00039(19)
> CIF C61 0.0243(11) 0.0176(11) 0.0244(11) 0.0022(8) -0.0007(9) 0.0020(8)
> CIF C62 0.0323(12) 0.0180(12) 0.0267(12) -0.0003(9) 0.0001(9) -0.0003(9)
> CIF C63 0.0427(14) 0.0179(12) 0.0317(13) 0.0007(9) -0.0028(10) 0.0023(10)
> CIF C64 0.0382(13) 0.0328(15) 0.0278(13) 0.0021(10) -0.0041(10) 0.0090(10)
> CIF C65 0.0277(12) 0.0326(14) 0.0318(13) 0.0009(10) -0.0050(10) 0.0011(10)
> CIF C66 0.0245(11) 0.0222(12) 0.0274(11) -0.0017(8) 0.0021(9) -0.0009(9)
> CIF C621 0.0387(13) 0.0177(13) 0.0433(15) 0.0028(10) -0.0115(11) -0.0051(9)
> CIF C641 0.0603(19) 0.0397(18) 0.0530(19) 0.0064(14) -0.0193(15) 0.0161(15)
> CIF C661 0.0241(11) 0.0262(14) 0.0455(15) 0.0041(10) -0.0036(10) -0.0054(9)
> CIF C71 0.0297(11) 0.0149(11) 0.0293(12) 0.0015(9) -0.0039(9) 0.0006(9)
> CIF C72 0.0359(13) 0.0168(12) 0.0305(12) 0.0033(9) -0.0018(9) 0.0025(9)
> CIF C73 0.0519(17) 0.0267(14) 0.0306(14) -0.0009(10) 0.0053(11) -0.0002(11)
> CIF C74 0.0566(19) 0.0381(17) 0.0330(15) 0.0009(11) -0.0066(12) -0.0125(13)
> CIF C75 0.0363(14) 0.0388(16) 0.0425(15) 0.0069(12) -0.0131(11) -0.0095(11)
> CIF C76 0.0279(12) 0.0181(12) 0.0386(13) 0.0033(9) -0.0076(10) -0.0024(9)
> CIF C721 0.0345(13) 0.0268(13) 0.0330(13) 0.0009(10) 0.0053(10) 0.0124(10)
> CIF C741 0.081(3) 0.095(3) 0.049(2) -0.017(2) -0.0147(19) -0.022(2)
> CIF C761 0.0249(12) 0.0358(15) 0.0495(16) -0.0025(12) -0.0019(11) 0.0002(10)
> CIF O1 0.0296(8) 0.0156(8) 0.0331(9) -0.0041(6) 0.0054(6) -0.0032(6)
> CIF C8 0.0255(11) 0.0143(11) 0.0295(12) -0.0003(8) -0.0003(8) 0.0020(8)
> CIF C81 0.0298(11) 0.0105(10) 0.0353(13) 0.0033(8) 0.0043(9) 0.0042(8)
> CIF C82 0.0320(12) 0.0185(12) 0.0367(14) 0.0066(9) -0.0015(10) 0.0029(9)
> CIF C83 0.0447(15) 0.0306(14) 0.0308(14) 0.0050(10) -0.0017(11) 0.0057(11)
> CIF C84 0.0397(14) 0.0373(16) 0.0363(15) 0.0102(11) 0.0122(11) 0.0085(12)
> CIF C85 0.0307(12) 0.0300(14) 0.0440(16) 0.0073(11) 0.0042(11) -0.0001(10)
> CIF C86 0.0317(12) 0.0206(12) 0.0311(12) 0.0040(9) -0.0007(9) -0.0017(9)
> CIF loop_
> CIF _atom_type_symbol
> CIF _atom_type_description
> CIF _atom_type_scat_dispersion_real
> CIF _atom_type_scat_dispersion_imag
> CIF _atom_type_scat_source
> CIF C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF Al Al 0.2130 0.2455 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF loop_
> CIF _geom_angle_atom_site_label_1
> CIF _geom_angle_atom_site_label_2
> CIF _geom_angle_atom_site_label_3
> CIF _geom_angle
> CIF C2 C1 P1 117.22(18)
> CIF C2 C1 Al1 129.93(18)
> CIF P1 C1 Al1 109.01(11)
> CIF C1 C2 C31 125.8(2)
> CIF C1 C2 H2 117.1
> CIF C31 C2 H2 117.1
> CIF C36 C31 C32 118.0(2)
> CIF C36 C31 C2 121.7(2)
> CIF C32 C31 C2 120.3(2)
> CIF C33 C32 C31 120.3(3)
> CIF C33 C32 H32 119.9
> CIF C31 C32 H32 119.9
> CIF C34 C33 C32 120.7(3)
> CIF C34 C33 H33 119.6
> CIF C32 C33 H33 119.6
> CIF C33 C34 C35 119.3(2)
> CIF C33 C34 H34 120.4
> CIF C35 C34 H34 120.4
> CIF C36 C35 C34 120.6(3)
> CIF C36 C35 H35 119.7
> CIF C34 C35 H35 119.7
> CIF C35 C36 C31 121.1(2)
> CIF C35 C36 H36 119.4
> CIF C31 C36 H36 119.4
> CIF O1 Al1 C4 106.11(10)
> CIF O1 Al1 C5 106.42(9)
> CIF C4 Al1 C5 116.37(11)
> CIF O1 Al1 C1 91.38(8)
> CIF C4 Al1 C1 119.92(10)
> CIF C5 Al1 C1 112.25(11)
> CIF C42 C4 C41 106.5(3)
> CIF C42 C4 C43 107.4(3)
> CIF C41 C4 C43 107.5(2)
> CIF C42 C4 Al1 111.33(18)
> CIF C41 C4 Al1 103.92(18)
> CIF C43 C4 Al1 119.4(2)
> CIF C4 C41 H41A 109.5
> CIF C4 C41 H41B 109.5
> CIF H41A C41 H41B 109.5
> CIF C4 C41 H41C 109.5
> CIF H41A C41 H41C 109.5
> CIF H41B C41 H41C 109.5
> CIF C4 C42 H42A 109.5
> CIF C4 C42 H42B 109.5
> CIF H42A C42 H42B 109.5
> CIF C4 C42 H42C 109.5
> CIF H42A C42 H42C 109.5
> CIF H42B C42 H42C 109.5
> CIF C4 C43 H43A 109.5
> CIF C4 C43 H43B 109.5
> CIF H43A C43 H43B 109.5
> CIF C4 C43 H43C 109.5
> CIF H43A C43 H43C 109.5
> CIF H43B C43 H43C 109.5
> CIF C52 C5 C51 107.5(2)
> CIF C52 C5 C53 107.8(2)
> CIF C51 C5 C53 107.8(2)
> CIF C52 C5 Al1 112.50(18)
> CIF C51 C5 Al1 113.94(19)
> CIF C53 C5 Al1 107.05(18)
> CIF C5 C51 H51A 109.5
> CIF C5 C51 H51B 109.5
> CIF H51A C51 H51B 109.5
> CIF C5 C51 H51C 109.5
> CIF H51A C51 H51C 109.5
> CIF H51B C51 H51C 109.5
> CIF C5 C52 H52A 109.5
> CIF C5 C52 H52B 109.5
> CIF H52A C52 H52B 109.5
> CIF C5 C52 H52C 109.5
> CIF H52A C52 H52C 109.5
> CIF H52B C52 H52C 109.5
> CIF C5 C53 H53A 109.5
> CIF C5 C53 H53B 109.5
> CIF H53A C53 H53B 109.5
> CIF C5 C53 H53C 109.5
> CIF H53A C53 H53C 109.5
> CIF H53B C53 H53C 109.5
> CIF C1 P1 C71 121.69(11)
> CIF C1 P1 C61 106.30(10)
> CIF C71 P1 C61 107.20(10)
> CIF C1 P1 C8 94.81(10)
> CIF C71 P1 C8 98.89(10)
> CIF C61 P1 C8 129.50(10)
> CIF C66 C61 C62 119.6(2)
> CIF C66 C61 P1 120.81(17)
> CIF C62 C61 P1 119.40(17)
> CIF C63 C62 C61 118.1(2)
> CIF C63 C62 C621 116.2(2)
> CIF C61 C62 C621 125.7(2)
> CIF C64 C63 C62 123.0(2)
> CIF C64 C63 H63 118.5
> CIF C62 C63 H63 118.5
> CIF C63 C64 C65 117.5(2)
> CIF C63 C64 C641 121.3(3)
> CIF C65 C64 C641 121.1(3)
> CIF C66 C65 C64 122.0(2)
> CIF C66 C65 H65 119.0
> CIF C64 C65 H65 119.0
> CIF C65 C66 C61 119.8(2)
> CIF C65 C66 C661 117.9(2)
> CIF C61 C66 C661 122.4(2)
> CIF C62 C621 H62A 109.5
> CIF C62 C621 H62B 109.5
> CIF H62A C621 H62B 109.5
> CIF C62 C621 H62C 109.5
> CIF H62A C621 H62C 109.5
> CIF H62B C621 H62C 109.5
> CIF C64 C641 H64A 109.5
> CIF C64 C641 H64B 109.5
> CIF H64A C641 H64B 109.5
> CIF C64 C641 H64C 109.5
> CIF H64A C641 H64C 109.5
> CIF H64B C641 H64C 109.5
> CIF C66 C661 H66A 109.5
> CIF C66 C661 H66B 109.5
> CIF H66A C661 H66B 109.5
> CIF C66 C661 H66C 109.5
> CIF H66A C661 H66C 109.5
> CIF H66B C661 H66C 109.5
> CIF C76 C71 C72 119.6(2)
> CIF C76 C71 P1 123.28(19)
> CIF C72 C71 P1 116.91(17)
> CIF C73 C72 C71 119.0(2)
> CIF C73 C72 C721 116.2(2)
> CIF C71 C72 C721 124.8(2)
> CIF C72 C73 C74 122.6(3)
> CIF C72 C73 H73 118.7
> CIF C74 C73 H73 118.7
> CIF C75 C74 C73 117.6(3)
> CIF C75 C74 C741 121.9(3)
> CIF C73 C74 C741 120.5(3)
> CIF C74 C75 C76 122.5(3)
> CIF C74 C75 H75 118.7
> CIF C76 C75 H75 118.7
> CIF C75 C76 C71 118.7(2)
> CIF C75 C76 C761 117.0(2)
> CIF C71 C76 C761 124.3(2)
> CIF C72 C721 H72A 109.5
> CIF C72 C721 H72B 109.5
> CIF H72A C721 H72B 109.5
> CIF C72 C721 H72C 109.5
> CIF H72A C721 H72C 109.5
> CIF H72B C721 H72C 109.5
> CIF C74 C741 H74A 109.5
> CIF C74 C741 H74B 109.5
> CIF H74A C741 H74B 109.5
> CIF C74 C741 H74C 109.5
> CIF H74A C741 H74C 109.5
> CIF H74B C741 H74C 109.5
> CIF C76 C761 H76A 109.5
> CIF C76 C761 H76B 109.5
> CIF H76A C761 H76B 109.5
> CIF C76 C761 H76C 109.5
> CIF H76A C761 H76C 109.5
> CIF H76B C761 H76C 109.5
> CIF C8 O1 Al1 115.78(14)
> CIF O1 C8 C81 115.16(18)
> CIF O1 C8 P1 109.77(15)
> CIF C81 C8 P1 119.13(15)
> CIF O1 C8 H1 103.5
> CIF C81 C8 H1 103.5
> CIF P1 C8 H1 103.5
> CIF C82 C81 C86 118.8(2)
> CIF C82 C81 C8 119.9(2)
> CIF C86 C81 C8 121.3(2)
> CIF C83 C82 C81 121.0(2)
> CIF C83 C82 H82 119.5
> CIF C81 C82 H82 119.5
> CIF C82 C83 C84 120.0(3)
> CIF C82 C83 H83 120.0
> CIF C84 C83 H83 120.0
> CIF C85 C84 C83 119.7(2)
> CIF C85 C84 H84 120.2
> CIF C83 C84 H84 120.2
> CIF C84 C85 C86 120.5(2)
> CIF C84 C85 H85 119.8
> CIF C86 C85 H85 119.8
> CIF C85 C86 C81 119.9(2)
> CIF C85 C86 H86 120.0
> CIF C81 C86 H86 120.0
> CIF loop_
> CIF _geom_bond_atom_site_label_1
> CIF _geom_bond_atom_site_label_2
> CIF _geom_bond_distance
> CIF C1 C2 1.354(3)
> CIF C1 P1 1.810(2)
> CIF C1 Al1 2.089(2)
> CIF C2 C31 1.461(3)
> CIF C2 H2 0.9600
> CIF C31 C36 1.400(4)
> CIF C31 C32 1.404(3)
> CIF C32 C33 1.387(4)
> CIF C32 H32 0.9600
> CIF C33 C34 1.383(5)
> CIF C33 H33 0.9600
> CIF C34 C35 1.383(4)
> CIF C34 H34 0.9600
> CIF C35 C36 1.373(3)
> CIF C35 H35 0.9600
> CIF C36 H36 0.9600
> CIF Al1 O1 1.8160(17)
> CIF Al1 C4 2.034(3)
> CIF Al1 C5 2.038(3)
> CIF C4 C42 1.521(4)
> CIF C4 C41 1.535(4)
> CIF C4 C43 1.538(4)
> CIF C41 H41A 0.9599
> CIF C41 H41B 0.9599
> CIF C41 H41C 0.9599
> CIF C42 H42A 0.9599
> CIF C42 H42B 0.9599
> CIF C42 H42C 0.9599
> CIF C43 H43A 0.9599
> CIF C43 H43B 0.9599
> CIF C43 H43C 0.9599
> CIF C5 C52 1.525(4)
> CIF C5 C51 1.529(4)
> CIF C5 C53 1.547(4)
> CIF C51 H51A 0.9599
> CIF C51 H51B 0.9599
> CIF C51 H51C 0.9599
> CIF C52 H52A 0.9599
> CIF C52 H52B 0.9599
> CIF C52 H52C 0.9599
> CIF C53 H53A 0.9599
> CIF C53 H53B 0.9599
> CIF C53 H53C 0.9599
> CIF P1 C71 1.824(2)
> CIF P1 C61 1.833(2)
> CIF P1 C8 1.938(2)
> CIF C61 C66 1.399(3)
> CIF C61 C62 1.421(3)
> CIF C62 C63 1.388(3)
> CIF C62 C621 1.520(3)
> CIF C63 C64 1.386(4)
> CIF C63 H63 0.9600
> CIF C64 C65 1.393(4)
> CIF C64 C641 1.501(4)
> CIF C65 C66 1.381(3)
> CIF C65 H65 0.9600
> CIF C66 C661 1.508(3)
> CIF C621 H62A 0.9599
> CIF C621 H62B 0.9599
> CIF C621 H62C 0.9599
> CIF C641 H64A 0.9599
> CIF C641 H64B 0.9599
> CIF C641 H64C 0.9599
> CIF C661 H66A 0.9599
> CIF C661 H66B 0.9599
> CIF C661 H66C 0.9599
> CIF C71 C76 1.407(3)
> CIF C71 C72 1.413(3)
> CIF C72 C73 1.383(4)
> CIF C72 C721 1.522(3)
> CIF C73 C74 1.389(4)
> CIF C73 H73 0.9600
> CIF C74 C75 1.382(4)
> CIF C74 C741 1.506(4)
> CIF C75 C76 1.398(4)
> CIF C75 H75 0.9600
> CIF C76 C761 1.497(4)
> CIF C721 H72A 0.9599
> CIF C721 H72B 0.9599
> CIF C721 H72C 0.9599
> CIF C741 H74A 0.9599
> CIF C741 H74B 0.9599
> CIF C741 H74C 0.9599
> CIF C761 H76A 0.9599
> CIF C761 H76B 0.9599
> CIF C761 H76C 0.9599
> CIF O1 C8 1.370(3)
> CIF C8 C81 1.506(3)
> CIF C8 H1 0.9600
> CIF C81 C82 1.385(4)
> CIF C81 C86 1.400(3)
> CIF C82 C83 1.382(4)
> CIF C82 H82 0.9600
> CIF C83 C84 1.390(4)
> CIF C83 H83 0.9600
> CIF C84 C85 1.379(4)
> CIF C84 H84 0.9600
> CIF C85 C86 1.393(3)
> CIF C85 H85 0.9600
> CIF C86 H86 0.9600
> CIF loop_
> CIF _geom_torsion_atom_site_label_1
> CIF _geom_torsion_atom_site_label_2
> CIF _geom_torsion_atom_site_label_3
> CIF _geom_torsion_atom_site_label_4
> CIF _geom_torsion
> CIF P1 C1 C2 C31 -179.46(18)
> CIF Al1 C1 C2 C31 25.3(4)
> CIF C1 C2 C31 C36 14.6(4)
> CIF C1 C2 C31 C32 -166.9(2)
> CIF C36 C31 C32 C33 -1.2(4)
> CIF C2 C31 C32 C33 -179.6(2)
> CIF C31 C32 C33 C34 0.5(4)
> CIF C32 C33 C34 C35 1.0(4)
> CIF C33 C34 C35 C36 -1.8(4)
> CIF C34 C35 C36 C31 1.0(4)
> CIF C32 C31 C36 C35 0.4(4)
> CIF C2 C31 C36 C35 178.9(2)
> CIF C2 C1 Al1 O1 153.8(2)
> CIF P1 C1 Al1 O1 -3.05(11)
> CIF C2 C1 Al1 C4 -96.7(2)
> CIF P1 C1 Al1 C4 106.47(13)
> CIF C2 C1 Al1 C5 45.4(2)
> CIF P1 C1 Al1 C5 -111.44(12)
> CIF O1 Al1 C4 C42 52.9(2)
> CIF C5 Al1 C4 C42 171.0(2)
> CIF C1 Al1 C4 C42 -48.4(2)
> CIF O1 Al1 C4 C41 -61.4(2)
> CIF C5 Al1 C4 C41 56.7(2)
> CIF C1 Al1 C4 C41 -162.69(17)
> CIF O1 Al1 C4 C43 178.9(2)
> CIF C5 Al1 C4 C43 -63.0(2)
> CIF C1 Al1 C4 C43 77.6(2)
> CIF O1 Al1 C5 C52 -88.66(19)
> CIF C4 Al1 C5 C52 153.37(18)
> CIF C1 Al1 C5 C52 9.8(2)
> CIF O1 Al1 C5 C51 148.6(2)
> CIF C4 Al1 C5 C51 30.6(2)
> CIF C1 Al1 C5 C51 -112.9(2)
> CIF O1 Al1 C5 C53 29.5(2)
> CIF C4 Al1 C5 C53 -88.4(2)
> CIF C1 Al1 C5 C53 128.0(2)
> CIF C2 C1 P1 C71 80.1(2)
> CIF Al1 C1 P1 C71 -119.75(12)
> CIF C2 C1 P1 C61 -42.8(2)
> CIF Al1 C1 P1 C61 117.39(11)
> CIF C2 C1 P1 C8 -176.39(19)
> CIF Al1 C1 P1 C8 -16.21(12)
> CIF C1 P1 C61 C66 -86.7(2)
> CIF C71 P1 C61 C66 141.75(18)
> CIF C8 P1 C61 C66 24.0(2)
> CIF C1 P1 C61 C62 88.2(2)
> CIF C71 P1 C61 C62 -43.4(2)
> CIF C8 P1 C61 C62 -161.09(17)
> CIF C66 C61 C62 C63 -0.3(3)
> CIF P1 C61 C62 C63 -175.20(18)
> CIF C66 C61 C62 C621 179.3(2)
> CIF P1 C61 C62 C621 4.4(3)
> CIF C61 C62 C63 C64 1.2(4)
> CIF C621 C62 C63 C64 -178.5(2)
> CIF C62 C63 C64 C65 -1.3(4)
> CIF C62 C63 C64 C641 176.4(3)
> CIF C63 C64 C65 C66 0.4(4)
> CIF C641 C64 C65 C66 -177.2(3)
> CIF C64 C65 C66 C61 0.4(4)
> CIF C64 C65 C66 C661 -178.6(2)
> CIF C62 C61 C66 C65 -0.5(3)
> CIF P1 C61 C66 C65 174.36(18)
> CIF C62 C61 C66 C661 178.5(2)
> CIF P1 C61 C66 C661 -6.7(3)
> CIF C1 P1 C71 C76 12.1(2)
> CIF C61 P1 C71 C76 134.5(2)
> CIF C8 P1 C71 C76 -89.2(2)
> CIF C1 P1 C71 C72 -173.70(17)
> CIF C61 P1 C71 C72 -51.3(2)
> CIF C8 P1 C71 C72 84.98(18)
> CIF C76 C71 C72 C73 -1.3(3)
> CIF P1 C71 C72 C73 -175.72(18)
> CIF C76 C71 C72 C721 178.9(2)
> CIF P1 C71 C72 C721 4.5(3)
> CIF C71 C72 C73 C74 2.2(4)
> CIF C721 C72 C73 C74 -178.0(3)
> CIF C72 C73 C74 C75 -1.1(4)
> CIF C72 C73 C74 C741 178.1(3)
> CIF C73 C74 C75 C76 -0.9(4)
> CIF C741 C74 C75 C76 179.9(3)
> CIF C74 C75 C76 C71 1.7(4)
> CIF C74 C75 C76 C761 -176.1(3)
> CIF C72 C71 C76 C75 -0.6(3)
> CIF P1 C71 C76 C75 173.52(19)
> CIF C72 C71 C76 C761 177.0(2)
> CIF P1 C71 C76 C761 -8.9(3)
> CIF C4 Al1 O1 C8 -88.89(17)
> CIF C5 Al1 O1 C8 146.56(16)
> CIF C1 Al1 O1 C8 32.86(16)
> CIF Al1 O1 C8 C81 172.14(14)
> CIF Al1 O1 C8 P1 -50.09(18)
> CIF C1 P1 C8 O1 39.51(16)
> CIF C71 P1 C8 O1 162.65(15)
> CIF C61 P1 C8 O1 -76.23(19)
> CIF C1 P1 C8 C81 175.36(18)
> CIF C71 P1 C8 C81 -61.50(19)
> CIF C61 P1 C8 C81 59.6(2)
> CIF O1 C8 C81 C82 -147.4(2)
> CIF P1 C8 C81 C82 79.0(2)
> CIF O1 C8 C81 C86 31.0(3)
> CIF P1 C8 C81 C86 -102.6(2)
> CIF C86 C81 C82 C83 4.3(3)
> CIF C8 C81 C82 C83 -177.2(2)
> CIF C81 C82 C83 C84 -0.8(4)
> CIF C82 C83 C84 C85 -2.4(4)
> CIF C83 C84 C85 C86 2.0(4)
> CIF C84 C85 C86 C81 1.5(4)
> CIF C82 C81 C86 C85 -4.7(3)
> CIF C8 C81 C86 C85 176.9(2)
> CIF data_compound_3
> CIF _chemical_formula_sum            'C50 H70 Al O P'
> CIF _chemical_formula_weight         745.01
> CIF _chemical_name_systematic
> CIF ; 
> CIF  ? 
> CIF ;
> CIF _space_group_IT_number           2
> CIF _symmetry_cell_setting           triclinic
> CIF _symmetry_space_group_name_Hall  '-P 1'
> CIF _symmetry_space_group_name_H-M   'P -1'
> CIF _atom_sites_solution_hydrogens   geom
> CIF _atom_sites_solution_primary     direct
> CIF _atom_sites_solution_secondary   difmap
> CIF _audit_creation_method           SHELXL-97
> CIF _cell_angle_alpha                102.346(4)
> CIF _cell_angle_beta                 111.742(5)
> CIF _cell_angle_gamma                106.627(5)
> CIF _cell_formula_units_Z            2
> CIF _cell_length_a                   11.8657(12)
> CIF _cell_length_b                   14.7612(13)
> CIF _cell_length_c                   15.6305(12)
> CIF _cell_measurement_reflns_used    9984
> CIF _cell_measurement_temperature    153(2)
> CIF _cell_measurement_theta_max      28.98
> CIF _cell_measurement_theta_min      2.60
> CIF _cell_volume                     2273.9(4)
> CIF _computing_cell_refinement       'Bruker SAINT+'
> CIF _computing_data_collection       'Bruker SMART'
> CIF _computing_data_reduction        'Bruker SHELXTL'
> CIF _computing_molecular_graphics    'Bruker SHELXTL'
> CIF _computing_publication_material  'Bruker SHELXTL'
> CIF _computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
> CIF _computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
> CIF _diffrn_ambient_temperature      153(2)
> CIF _diffrn_measured_fraction_theta_full 0.990
> CIF _diffrn_measured_fraction_theta_max 0.990
> CIF _diffrn_measurement_device_type  'Apex 2 CCD detector'
> CIF _diffrn_measurement_method       'omega scans'
> CIF _diffrn_radiation_monochromator  graphite
> CIF _diffrn_radiation_source         'sealed tube'
> CIF _diffrn_radiation_type           MoK\a
> CIF _diffrn_radiation_wavelength     0.71073
> CIF _diffrn_reflns_av_R_equivalents  0.0319
> CIF _diffrn_reflns_av_sigmaI/netI    0.0383
> CIF _diffrn_reflns_limit_h_max       16
> CIF _diffrn_reflns_limit_h_min       -16
> CIF _diffrn_reflns_limit_k_max       20
> CIF _diffrn_reflns_limit_k_min       -20
> CIF _diffrn_reflns_limit_l_max       22
> CIF _diffrn_reflns_limit_l_min       -22
> CIF _diffrn_reflns_number            40203
> CIF _diffrn_reflns_theta_full        30.05
> CIF _diffrn_reflns_theta_max         30.05
> CIF _diffrn_reflns_theta_min         2.71
> CIF _exptl_absorpt_coefficient_mu    0.113
> CIF _exptl_absorpt_correction_T_max  0.9777
> CIF _exptl_absorpt_correction_T_min  0.9497
> CIF _exptl_absorpt_correction_type   empirical
> CIF _exptl_absorpt_process_details   SADABS
> CIF _exptl_crystal_colour            colourless
> CIF _exptl_crystal_density_diffrn    1.088
> CIF _exptl_crystal_density_method    'not measured'
> CIF _exptl_crystal_description       block
> CIF _exptl_crystal_F_000             812
> CIF _exptl_crystal_size_max          0.46
> CIF _exptl_crystal_size_mid          0.23
> CIF _exptl_crystal_size_min          0.20
> CIF _refine_diff_density_max         0.408
> CIF _refine_diff_density_min         -0.293
> CIF _refine_diff_density_rms
> CIF '0.058 =========================================================================================================================== Compound 7'
> CIF _refine_ls_extinction_method     none
> CIF _refine_ls_goodness_of_fit_ref   1.058
> CIF _refine_ls_hydrogen_treatment    constr.
> CIF _refine_ls_matrix_type           full
> CIF _refine_ls_number_parameters     539
> CIF _refine_ls_number_reflns         13179
> CIF _refine_ls_number_restraints     150
> CIF _refine_ls_restrained_S_all      1.057
> CIF _refine_ls_R_factor_all          0.0622
> CIF _refine_ls_R_factor_gt           0.0459
> CIF _refine_ls_shift/su_max          0.011
> CIF _refine_ls_shift/su_mean         0.000
> CIF _refine_ls_structure_factor_coef Fsqd
> CIF _refine_ls_weighting_details
> CIF 'calc w=1/[\s^2^(Fo^2^)+(0.0679P)^2^+0.5503P] where P=(Fo^2^+2Fc^2^)/3'
> CIF _refine_ls_weighting_scheme      calc
> CIF _refine_ls_wR_factor_gt          0.1238
> CIF _refine_ls_wR_factor_ref         0.1370
> CIF _reflns_number_gt                10230
> CIF _reflns_number_total             13179
> CIF _reflns_threshold_expression     >2sigma(I)
> CIF _cod_data_source_file            om400620h_si_001.cif
> CIF _cod_data_source_block           compound_3
> CIF _cod_original_sg_symbol_H-M      P-1
> CIF loop_
> CIF _symmetry_equiv_pos_as_xyz
> CIF 'x, y, z'
> CIF '-x, -y, -z'
> CIF loop_
> CIF _atom_site_label
> CIF _atom_site_type_symbol
> CIF _atom_site_fract_x
> CIF _atom_site_fract_y
> CIF _atom_site_fract_z
> CIF _atom_site_U_iso_or_equiv
> CIF _atom_site_adp_type
> CIF _atom_site_occupancy
> CIF _atom_site_symmetry_multiplicity
> CIF _atom_site_calc_flag
> CIF _atom_site_refinement_flags
> CIF _atom_site_disorder_assembly
> CIF _atom_site_disorder_group
> CIF C1 C 0.45950(12) 0.86946(9) 0.23276(9) 0.0187(2) Uani 1 1 d . . .
> CIF C2 C 0.54235(12) 0.95771(9) 0.30737(9) 0.0205(2) Uani 1 1 d . . .
> CIF H2 H 0.5208 1.0156 0.3068 0.025 Uiso 1 1 calc R . .
> CIF C31 C 0.66485(12) 0.97058(10) 0.39030(9) 0.0219(2) Uani 1 1 d . . .
> CIF C32 C 0.66678(14) 0.89423(11) 0.42879(10) 0.0286(3) Uani 1 1 d . . .
> CIF H32 H 0.5887 0.8326 0.3998 0.034 Uiso 1 1 calc R . .
> CIF C33 C 0.77969(16) 0.90573(13) 0.50843(12) 0.0369(3) Uani 1 1 d . . .
> CIF H33 H 0.7795 0.8523 0.5343 0.044 Uiso 1 1 calc R . .
> CIF C34 C 0.89242(15) 0.99395(14) 0.55068(12) 0.0382(4) Uani 1 1 d . . .
> CIF H34 H 0.9706 1.0020 0.6060 0.046 Uiso 1 1 calc R . .
> CIF C35 C 0.89258(14) 1.07075(13) 0.51321(11) 0.0339(3) Uani 1 1 d . . .
> CIF H35 H 0.9716 1.1316 0.5418 0.041 Uiso 1 1 calc R . .
> CIF C36 C 0.77898(13) 1.06020(11) 0.43442(10) 0.0275(3) Uani 1 1 d . . .
> CIF H36 H 0.7788 1.1147 0.4101 0.033 Uiso 1 1 calc R . .
> CIF Al1 Al 0.48742(4) 0.74261(3) 0.17802(3) 0.01934(9) Uani 1 1 d . . .
> CIF C41 C 0.65328(14) 0.77615(11) 0.16135(11) 0.0284(3) Uani 1 1 d . . .
> CIF C411 C 0.78163(15) 0.80877(14) 0.25551(13) 0.0393(4) Uani 1 1 d . . .
> CIF H41A H 0.8544 0.8192 0.2400 0.047 Uiso 1 1 calc R . .
> CIF H41B H 0.7745 0.7569 0.2837 0.047 Uiso 1 1 calc R . .
> CIF H41C H 0.7967 0.8707 0.3020 0.047 Uiso 1 1 calc R . .
> CIF C412 C 0.63815(17) 0.68117(14) 0.08650(13) 0.0409(4) Uani 1 1 d . . .
> CIF H41D H 0.5596 0.6603 0.0257 0.049 Uiso 1 1 calc R . .
> CIF H41E H 0.6314 0.6276 0.1124 0.049 Uiso 1 1 calc R . .
> CIF H41F H 0.7141 0.6964 0.0746 0.049 Uiso 1 1 calc R . .
> CIF C413 C 0.66876(18) 0.86020(14) 0.11869(15) 0.0439(4) Uani 1 1 d . . .
> CIF H41G H 0.6851 0.9220 0.1660 0.053 Uiso 1 1 calc R . .
> CIF H41H H 0.5890 0.8416 0.0594 0.053 Uiso 1 1 calc R . .
> CIF H41I H 0.7419 0.8699 0.1038 0.053 Uiso 1 1 calc R . .
> CIF C51 C 0.43706(14) 0.62260(10) 0.21889(11) 0.0280(3) Uani 1 1 d . . .
> CIF C511 C 0.55578(17) 0.60760(13) 0.28808(14) 0.0409(4) Uani 1 1 d . . .
> CIF H51A H 0.5245 0.5474 0.3016 0.049 Uiso 1 1 calc R . .
> CIF H51B H 0.6061 0.6650 0.3488 0.049 Uiso 1 1 calc R . .
> CIF H51C H 0.6109 0.6010 0.2572 0.049 Uiso 1 1 calc R . .
> CIF C512 C 0.34752(17) 0.62589(13) 0.26785(14) 0.0405(4) Uani 1 1 d . . .
> CIF H51D H 0.2677 0.6279 0.2230 0.049 Uiso 1 1 calc R . .
> CIF H51E H 0.3929 0.6853 0.3266 0.049 Uiso 1 1 calc R . .
> CIF H51F H 0.3257 0.5666 0.2847 0.049 Uiso 1 1 calc R . .
> CIF C513 C 0.3582(2) 0.52873(12) 0.12388(14) 0.0472(4) Uani 1 1 d . . .
> CIF H51G H 0.3258 0.4700 0.1390 0.057 Uiso 1 1 calc R . .
> CIF H51H H 0.4147 0.5203 0.0948 0.057 Uiso 1 1 calc R . .
> CIF H51I H 0.2848 0.5371 0.0783 0.057 Uiso 1 1 calc R . .
> CIF P1 P 0.30287(3) 0.85647(2) 0.14282(2) 0.01719(8) Uani 1 1 d . . .
> CIF C61 C 0.28444(12) 0.97393(9) 0.13734(9) 0.0196(2) Uani 1 1 d . . .
> CIF C62 C 0.17205(14) 0.99264(10) 0.13440(11) 0.0263(3) Uani 1 1 d . . .
> CIF C63 C 0.17226(15) 1.08721(11) 0.13486(12) 0.0316(3) Uani 1 1 d . . .
> CIF H63 H 0.0973 1.1006 0.1339 0.038 Uiso 1 1 calc R . .
> CIF C64 C 0.27477(16) 1.16279(11) 0.13656(11) 0.0313(3) Uani 1 1 d . . .
> CIF C65 C 0.38043(15) 1.14156(10) 0.13558(11) 0.0278(3) Uani 1 1 d . . .
> CIF H65 H 0.4517 1.1926 0.1354 0.033 Uiso 1 1 calc R . .
> CIF C66 C 0.38739(13) 1.04891(9) 0.13490(9) 0.0216(2) Uani 1 1 d . . .
> CIF C621 C 0.04872(16) 0.91784(13) 0.12662(15) 0.0416(4) Uani 1 1 d . . .
> CIF H62A H 0.0224 0.8532 0.0786 0.050 Uiso 1 1 calc R . .
> CIF H62B H -0.0211 0.9412 0.1067 0.050 Uiso 1 1 calc R . .
> CIF H62C H 0.0662 0.9114 0.1896 0.050 Uiso 1 1 calc R . .
> CIF C641 C 0.2701(2) 1.26366(12) 0.13636(15) 0.0463(4) Uani 1 1 d . . .
> CIF H64A H 0.2015 1.2711 0.1521 0.056 Uiso 1 1 calc R . .
> CIF H64B H 0.2518 1.2671 0.0722 0.056 Uiso 1 1 calc R . .
> CIF H64C H 0.3539 1.3171 0.1846 0.056 Uiso 1 1 calc R . .
> CIF C661 C 0.50360(14) 1.03454(10) 0.12553(11) 0.0264(3) Uani 1 1 d . . .
> CIF H66A H 0.5791 1.0632 0.1896 0.032 Uiso 1 1 calc R . .
> CIF H66B H 0.5240 1.0678 0.0834 0.032 Uiso 1 1 calc R . .
> CIF H66C H 0.4817 0.9635 0.0977 0.032 Uiso 1 1 calc R . .
> CIF C71 C 0.18149(12) 0.77752(9) 0.17025(10) 0.0213(2) Uani 1 1 d . . .
> CIF C72 C 0.19997(13) 0.80829(10) 0.26826(10) 0.0246(3) Uani 1 1 d . . .
> CIF C73 C 0.11629(15) 0.74547(11) 0.29392(12) 0.0307(3) Uani 1 1 d . . .
> CIF H73 H 0.1308 0.7659 0.3610 0.037 Uiso 1 1 calc R . .
> CIF C74 C 0.01301(15) 0.65463(11) 0.22626(13) 0.0331(3) Uani 1 1 d . . .
> CIF C75 C -0.00743(14) 0.62773(11) 0.12983(12) 0.0319(3) Uani 1 1 d . . .
> CIF H75 H -0.0807 0.5659 0.0818 0.038 Uiso 1 1 calc R . .
> CIF C76 C 0.07365(13) 0.68640(10) 0.09898(11) 0.0264(3) Uani 1 1 d . . .
> CIF C721 C 0.30112(15) 0.90882(11) 0.34813(11) 0.0318(3) Uani 1 1 d . . .
> CIF H72A H 0.2683 0.9291 0.3933 0.038 Uiso 1 1 calc R . .
> CIF H72B H 0.3170 0.9590 0.3189 0.038 Uiso 1 1 calc R . .
> CIF H72C H 0.3824 0.9023 0.3830 0.038 Uiso 1 1 calc R . .
> CIF C741 C -0.0778(2) 0.58922(14) 0.25573(17) 0.0490(5) Uani 1 1 d . . .
> CIF H74A H -0.1475 0.6116 0.2514 0.059 Uiso 1 1 calc R . .
> CIF H74B H -0.0284 0.5944 0.3223 0.059 Uiso 1 1 calc R . .
> CIF H74C H -0.1155 0.5200 0.2123 0.059 Uiso 1 1 calc R . .
> CIF C761 C 0.03520(15) 0.64842(12) -0.00921(12) 0.0377(4) Uani 1 1 d . . .
> CIF H76A H 0.0349 0.7027 -0.0337 0.045 Uiso 1 1 calc R . .
> CIF H76B H -0.0517 0.5945 -0.0442 0.045 Uiso 1 1 calc R . .
> CIF H76C H 0.0978 0.6237 -0.0188 0.045 Uiso 1 1 calc R . .
> CIF O1 O 0.35229(9) 0.71325(7) 0.05735(7) 0.02248(19) Uani 1 1 d . . .
> CIF C8 C 0.30187(12) 0.77971(9) 0.03367(9) 0.0193(2) Uani 1 1 d . . .
> CIF C81 C 0.25675(12) 0.78298(9) -0.05882(9) 0.0203(2) Uani 1 1 d . . .
> CIF C82 C 0.27036(13) 0.71491(10) -0.13302(10) 0.0238(3) Uani 1 1 d . . .
> CIF H82 H 0.3208 0.6760 -0.1129 0.029 Uiso 1 1 calc R . .
> CIF C83 C 0.21545(14) 0.70454(11) -0.22794(10) 0.0273(3) Uani 1 1 d . . .
> CIF H83 H 0.2306 0.6598 -0.2727 0.033 Uiso 1 1 calc R . .
> CIF C84 C 0.13132(14) 0.75880(11) -0.26886(10) 0.0274(3) Uani 1 1 d . . .
> CIF H84 H 0.1701 0.7942 -0.3025 0.033 Uiso 1 1 calc R . .
> CIF C85 C 0.13593(15) 0.83736(11) -0.18756(11) 0.0294(3) Uani 1 1 d . . .
> CIF H85 H 0.0972 0.8838 -0.2047 0.035 Uiso 1 1 calc R . .
> CIF C86 C 0.19046(14) 0.84692(10) -0.09270(10) 0.0261(3) Uani 1 1 d . . .
> CIF H86 H 0.1858 0.8974 -0.0455 0.031 Uiso 1 1 calc R . .
> CIF C91 C -0.01429(15) 0.68386(12) -0.34761(11) 0.0328(3) Uani 1 1 d . . .
> CIF C911 C -0.08380(18) 0.62486(14) -0.29988(15) 0.0467(4) Uani 1 1 d . . .
> CIF H91A H -0.1725 0.5794 -0.3486 0.056 Uiso 1 1 calc R . .
> CIF H91B H -0.0867 0.6712 -0.2481 0.056 Uiso 1 1 calc R . .
> CIF H91C H -0.0361 0.5868 -0.2728 0.056 Uiso 1 1 calc R . .
> CIF C912 C -0.08951(19) 0.74414(16) -0.39067(14) 0.0511(5) Uani 1 1 d . . .
> CIF H91D H -0.0408 0.7864 -0.4148 0.061 Uiso 1 1 calc R . .
> CIF H91E H -0.1002 0.7857 -0.3404 0.061 Uiso 1 1 calc R . .
> CIF H91F H -0.1751 0.6984 -0.4440 0.061 Uiso 1 1 calc R . .
> CIF C913 C -0.0111(2) 0.61045(17) -0.43080(13) 0.0543(5) Uani 1 1 d . . .
> CIF H91G H -0.0999 0.5691 -0.4819 0.065 Uiso 1 1 calc R . .
> CIF H91H H 0.0299 0.5680 -0.4056 0.065 Uiso 1 1 calc R . .
> CIF H91I H 0.0389 0.6480 -0.4573 0.065 Uiso 1 1 calc R . .
> CIF C01 C 0.5442(9) 0.3928(6) 0.4430(7) 0.071(2) Uani 0.583(6) 1 d PDU A 1
> CIF H01A H 0.4959 0.4297 0.4141 0.085 Uiso 0.583(6) 1 calc PR A 1
> CIF H01B H 0.6045 0.4334 0.5111 0.085 Uiso 0.583(6) 1 calc PR A 1
> CIF C02 C 0.4508(6) 0.2920(5) 0.4329(4) 0.0531(13) Uani 0.583(6) 1 d PDU A 1
> CIF H02A H 0.4341 0.2983 0.4890 0.064 Uiso 0.583(6) 1 calc PR A 1
> CIF H02B H 0.3679 0.2665 0.3742 0.064 Uiso 0.583(6) 1 calc PR A 1
> CIF C03 C 0.5231(10) 0.2232(6) 0.4270(8) 0.083(3) Uani 0.583(6) 1 d PDU A 1
> CIF H03A H 0.5543 0.2097 0.4870 0.099 Uiso 0.583(6) 1 calc PR A 1
> CIF H03B H 0.4649 0.1600 0.3731 0.099 Uiso 0.583(6) 1 calc PR A 1
> CIF C04 C 0.6359(8) 0.2760(5) 0.4117(6) 0.0723(18) Uani 0.583(6) 1 d PDU A 1
> CIF H04A H 0.6382 0.2315 0.3583 0.087 Uiso 0.583(6) 1 calc PR A 1
> CIF H04B H 0.7178 0.2981 0.4703 0.087 Uiso 0.583(6) 1 calc PR A 1
> CIF C05 C 0.6173(4) 0.3645(3) 0.3880(4) 0.0550(12) Uani 0.583(6) 1 d PDU A 1
> CIF H05A H 0.5658 0.3466 0.3183 0.066 Uiso 0.583(6) 1 calc PR A 1
> CIF H05B H 0.7010 0.4192 0.4107 0.066 Uiso 0.583(6) 1 calc PR A 1
> CIF C01A C 0.6119(12) 0.2438(7) 0.4331(11) 0.106(5) Uani 0.417(6) 1 d PDU A 2
> CIF H01C H 0.6472 0.2112 0.4771 0.127 Uiso 0.417(6) 1 calc PR A 2
> CIF H01D H 0.6158 0.2178 0.3729 0.127 Uiso 0.417(6) 1 calc PR A 2
> CIF C02A C 0.4717(9) 0.2263(8) 0.4127(7) 0.079(4) Uani 0.417(6) 1 d PDU A 2
> CIF H02C H 0.4507 0.2008 0.4589 0.095 Uiso 0.417(6) 1 calc PR A 2
> CIF H02D H 0.4101 0.1790 0.3471 0.095 Uiso 0.417(6) 1 calc PR A 2
> CIF C03A C 0.4677(11) 0.3311(11) 0.4248(11) 0.119(5) Uani 0.417(6) 1 d PDU A 2
> CIF H03C H 0.3938 0.3274 0.3687 0.143 Uiso 0.417(6) 1 calc PR A 2
> CIF H03D H 0.4597 0.3569 0.4831 0.143 Uiso 0.417(6) 1 calc PR A 2
> CIF C04A C 0.5900(12) 0.3947(9) 0.4324(12) 0.108(5) Uani 0.417(6) 1 d PDU A 2
> CIF H04C H 0.6181 0.4635 0.4733 0.130 Uiso 0.417(6) 1 calc PR A 2
> CIF H04D H 0.5814 0.3929 0.3685 0.130 Uiso 0.417(6) 1 calc PR A 2
> CIF C05A C 0.6848(6) 0.3515(5) 0.4777(6) 0.076(2) Uani 0.417(6) 1 d PDU A 2
> CIF H05C H 0.7592 0.3719 0.4645 0.092 Uiso 0.417(6) 1 calc PR A 2
> CIF H05D H 0.7165 0.3736 0.5478 0.092 Uiso 0.417(6) 1 calc PR A 2
> CIF loop_
> CIF _atom_site_aniso_label
> CIF _atom_site_aniso_U_11
> CIF _atom_site_aniso_U_22
> CIF _atom_site_aniso_U_33
> CIF _atom_site_aniso_U_23
> CIF _atom_site_aniso_U_13
> CIF _atom_site_aniso_U_12
> CIF C1 0.0173(5) 0.0184(5) 0.0206(6) 0.0075(5) 0.0085(5) 0.0071(4)
> CIF C2 0.0197(6) 0.0201(6) 0.0209(6) 0.0064(5) 0.0090(5) 0.0082(5)
> CIF C31 0.0183(6) 0.0244(6) 0.0190(6) 0.0025(5) 0.0080(5) 0.0080(5)
> CIF C32 0.0244(7) 0.0272(7) 0.0271(7) 0.0069(5) 0.0065(5) 0.0104(5)
> CIF C33 0.0323(8) 0.0420(9) 0.0338(8) 0.0142(7) 0.0081(6) 0.0204(7)
> CIF C34 0.0230(7) 0.0547(10) 0.0290(7) 0.0070(7) 0.0061(6) 0.0190(7)
> CIF C35 0.0168(6) 0.0420(8) 0.0281(7) -0.0001(6) 0.0088(5) 0.0035(6)
> CIF C36 0.0218(6) 0.0297(7) 0.0237(6) 0.0033(5) 0.0112(5) 0.0042(5)
> CIF Al1 0.01775(18) 0.01695(17) 0.02095(19) 0.00591(14) 0.00613(14) 0.00820(14)
> CIF C41 0.0246(7) 0.0310(7) 0.0327(7) 0.0093(6) 0.0144(6) 0.0153(6)
> CIF C411 0.0214(7) 0.0487(9) 0.0401(9) 0.0054(7) 0.0115(6) 0.0149(7)
> CIF C412 0.0389(9) 0.0460(9) 0.0385(9) 0.0056(7) 0.0190(7) 0.0236(8)
> CIF C413 0.0397(9) 0.0489(10) 0.0684(12) 0.0328(9) 0.0383(9) 0.0248(8)
> CIF C51 0.0276(7) 0.0209(6) 0.0326(7) 0.0122(6) 0.0087(6) 0.0109(5)
> CIF C511 0.0401(9) 0.0424(9) 0.0496(10) 0.0288(8) 0.0168(8) 0.0250(7)
> CIF C512 0.0385(9) 0.0368(8) 0.0581(11) 0.0303(8) 0.0254(8) 0.0170(7)
> CIF C513 0.0538(11) 0.0206(7) 0.0470(10) 0.0102(7) 0.0095(8) 0.0079(7)
> CIF P1 0.01561(15) 0.01488(14) 0.01952(15) 0.00539(11) 0.00690(12) 0.00627(11)
> CIF C61 0.0206(6) 0.0167(5) 0.0210(6) 0.0063(4) 0.0086(5) 0.0086(5)
> CIF C62 0.0248(7) 0.0256(6) 0.0317(7) 0.0115(6) 0.0131(6) 0.0136(5)
> CIF C63 0.0338(8) 0.0304(7) 0.0393(8) 0.0145(6) 0.0175(6) 0.0220(6)
> CIF C64 0.0403(8) 0.0233(6) 0.0326(7) 0.0108(6) 0.0149(6) 0.0179(6)
> CIF C65 0.0343(7) 0.0189(6) 0.0294(7) 0.0095(5) 0.0142(6) 0.0097(5)
> CIF C66 0.0249(6) 0.0182(5) 0.0198(6) 0.0057(5) 0.0095(5) 0.0080(5)
> CIF C621 0.0265(8) 0.0403(9) 0.0734(12) 0.0301(9) 0.0270(8) 0.0218(7)
> CIF C641 0.0588(11) 0.0291(8) 0.0605(11) 0.0213(8) 0.0267(9) 0.0277(8)
> CIF C661 0.0269(7) 0.0226(6) 0.0322(7) 0.0104(5) 0.0170(6) 0.0083(5)
> CIF C71 0.0182(6) 0.0183(5) 0.0276(6) 0.0086(5) 0.0104(5) 0.0076(5)
> CIF C72 0.0235(6) 0.0238(6) 0.0298(7) 0.0092(5) 0.0149(5) 0.0107(5)
> CIF C73 0.0341(8) 0.0316(7) 0.0381(8) 0.0169(6) 0.0236(7) 0.0163(6)
> CIF C74 0.0310(8) 0.0271(7) 0.0537(10) 0.0211(7) 0.0268(7) 0.0139(6)
> CIF C75 0.0235(7) 0.0203(6) 0.0475(9) 0.0108(6) 0.0157(6) 0.0050(5)
> CIF C76 0.0194(6) 0.0213(6) 0.0338(7) 0.0078(5) 0.0101(5) 0.0063(5)
> CIF C721 0.0317(8) 0.0315(7) 0.0293(7) 0.0033(6) 0.0192(6) 0.0075(6)
> CIF C741 0.0505(11) 0.0378(9) 0.0810(14) 0.0342(10) 0.0455(11) 0.0178(8)
> CIF C761 0.0232(7) 0.0336(8) 0.0331(8) 0.0012(6) 0.0076(6) -0.0044(6)
> CIF O1 0.0249(5) 0.0181(4) 0.0210(4) 0.0048(3) 0.0060(4) 0.0120(4)
> CIF C8 0.0177(6) 0.0171(5) 0.0207(6) 0.0052(4) 0.0070(5) 0.0076(4)
> CIF C81 0.0185(6) 0.0183(5) 0.0205(6) 0.0059(5) 0.0062(5) 0.0071(4)
> CIF C82 0.0229(6) 0.0241(6) 0.0241(6) 0.0074(5) 0.0097(5) 0.0116(5)
> CIF C83 0.0278(7) 0.0302(7) 0.0248(6) 0.0084(5) 0.0125(5) 0.0135(6)
> CIF C84 0.0287(7) 0.0303(7) 0.0235(6) 0.0129(5) 0.0109(5) 0.0115(6)
> CIF C85 0.0325(7) 0.0258(6) 0.0284(7) 0.0116(6) 0.0093(6) 0.0149(6)
> CIF C86 0.0303(7) 0.0227(6) 0.0246(6) 0.0070(5) 0.0098(5) 0.0147(5)
> CIF C91 0.0278(7) 0.0354(8) 0.0275(7) 0.0074(6) 0.0069(6) 0.0128(6)
> CIF C911 0.0310(9) 0.0430(9) 0.0562(11) 0.0153(8) 0.0167(8) 0.0081(7)
> CIF C912 0.0418(10) 0.0632(12) 0.0399(10) 0.0187(9) 0.0053(8) 0.0279(9)
> CIF C913 0.0443(11) 0.0620(12) 0.0314(9) -0.0052(8) 0.0050(8) 0.0208(9)
> CIF C01 0.105(6) 0.051(3) 0.092(4) 0.028(3) 0.073(5) 0.040(3)
> CIF C02 0.049(2) 0.066(3) 0.044(2) 0.013(2) 0.0299(19) 0.016(2)
> CIF C03 0.132(7) 0.059(4) 0.117(7) 0.044(4) 0.097(6) 0.058(5)
> CIF C04 0.070(4) 0.079(5) 0.092(4) 0.036(4) 0.046(3) 0.049(4)
> CIF C05 0.055(2) 0.042(2) 0.070(3) 0.0113(17) 0.040(2) 0.0126(16)
> CIF C01A 0.080(6) 0.056(5) 0.130(10) 0.011(5) 0.006(6) 0.031(5)
> CIF C02A 0.070(5) 0.080(6) 0.038(3) 0.011(4) 0.019(3) -0.021(4)
> CIF C03A 0.057(6) 0.131(10) 0.131(9) -0.003(8) 0.022(5) 0.051(6)
> CIF C04A 0.098(8) 0.059(5) 0.145(11) 0.045(7) 0.030(7) 0.029(5)
> CIF C05A 0.043(3) 0.076(4) 0.103(5) 0.022(4) 0.035(3) 0.021(3)
> CIF loop_
> CIF _atom_type_symbol
> CIF _atom_type_description
> CIF _atom_type_scat_dispersion_real
> CIF _atom_type_scat_dispersion_imag
> CIF _atom_type_scat_source
> CIF C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF loop_
> CIF _geom_angle_atom_site_label_1
> CIF _geom_angle_atom_site_label_2
> CIF _geom_angle_atom_site_label_3
> CIF _geom_angle
> CIF C2 C1 P1 120.44(9)
> CIF C2 C1 Al1 131.80(10)
> CIF P1 C1 Al1 106.49(6)
> CIF C1 C2 C31 123.37(11)
> CIF C1 C2 H2 118.3
> CIF C31 C2 H2 118.3
> CIF C32 C31 C36 118.60(12)
> CIF C32 C31 C2 119.90(12)
> CIF C36 C31 C2 121.44(12)
> CIF C33 C32 C31 120.93(14)
> CIF C33 C32 H32 119.5
> CIF C31 C32 H32 119.5
> CIF C34 C33 C32 120.04(15)
> CIF C34 C33 H33 120.0
> CIF C32 C33 H33 120.0
> CIF C33 C34 C35 119.88(14)
> CIF C33 C34 H34 120.1
> CIF C35 C34 H34 120.1
> CIF C34 C35 C36 120.26(14)
> CIF C34 C35 H35 119.9
> CIF C36 C35 H35 119.9
> CIF C35 C36 C31 120.25(14)
> CIF C35 C36 H36 119.9
> CIF C31 C36 H36 119.9
> CIF O1 Al1 C41 105.97(6)
> CIF O1 Al1 C51 106.74(5)
> CIF C41 Al1 C51 116.72(6)
> CIF O1 Al1 C1 89.46(5)
> CIF C41 Al1 C1 112.67(6)
> CIF C51 Al1 C1 120.18(6)
> CIF C413 C41 C411 107.87(14)
> CIF C413 C41 C412 107.57(14)
> CIF C411 C41 C412 107.72(12)
> CIF C413 C41 Al1 110.31(10)
> CIF C411 C41 Al1 115.18(10)
> CIF C412 C41 Al1 107.92(10)
> CIF C41 C411 H41A 109.5
> CIF C41 C411 H41B 109.5
> CIF H41A C411 H41B 109.5
> CIF C41 C411 H41C 109.5
> CIF H41A C411 H41C 109.5
> CIF H41B C411 H41C 109.5
> CIF C41 C412 H41D 109.5
> CIF C41 C412 H41E 109.5
> CIF H41D C412 H41E 109.5
> CIF C41 C412 H41F 109.5
> CIF H41D C412 H41F 109.5
> CIF H41E C412 H41F 109.5
> CIF C41 C413 H41G 109.5
> CIF C41 C413 H41H 109.5
> CIF H41G C413 H41H 109.5
> CIF C41 C413 H41I 109.5
> CIF H41G C413 H41I 109.5
> CIF H41H C413 H41I 109.5
> CIF C512 C51 C513 107.28(14)
> CIF C512 C51 C511 107.77(13)
> CIF C513 C51 C511 107.77(13)
> CIF C512 C51 Al1 113.17(10)
> CIF C513 C51 Al1 106.41(10)
> CIF C511 C51 Al1 114.10(10)
> CIF C51 C511 H51A 109.5
> CIF C51 C511 H51B 109.5
> CIF H51A C511 H51B 109.5
> CIF C51 C511 H51C 109.5
> CIF H51A C511 H51C 109.5
> CIF H51B C511 H51C 109.5
> CIF C51 C512 H51D 109.5
> CIF C51 C512 H51E 109.5
> CIF H51D C512 H51E 109.5
> CIF C51 C512 H51F 109.5
> CIF H51D C512 H51F 109.5
> CIF H51E C512 H51F 109.5
> CIF C51 C513 H51G 109.5
> CIF C51 C513 H51H 109.5
> CIF H51G C513 H51H 109.5
> CIF C51 C513 H51I 109.5
> CIF H51G C513 H51I 109.5
> CIF H51H C513 H51I 109.5
> CIF C1 P1 C71 104.36(6)
> CIF C1 P1 C61 116.31(6)
> CIF C71 P1 C61 112.85(6)
> CIF C1 P1 C8 97.77(6)
> CIF C71 P1 C8 109.15(6)
> CIF C61 P1 C8 114.96(6)
> CIF C66 C61 C62 119.16(11)
> CIF C66 C61 P1 117.45(9)
> CIF C62 C61 P1 123.39(10)
> CIF C63 C62 C61 117.99(13)
> CIF C63 C62 C621 115.99(12)
> CIF C61 C62 C621 125.97(12)
> CIF C64 C63 C62 123.41(13)
> CIF C64 C63 H63 118.3
> CIF C62 C63 H63 118.3
> CIF C65 C64 C63 117.57(13)
> CIF C65 C64 C641 120.94(15)
> CIF C63 C64 C641 121.47(14)
> CIF C64 C65 C66 122.43(13)
> CIF C64 C65 H65 118.8
> CIF C66 C65 H65 118.8
> CIF C65 C66 C61 119.33(12)
> CIF C65 C66 C661 115.92(12)
> CIF C61 C66 C661 124.66(11)
> CIF C62 C621 H62A 109.5
> CIF C62 C621 H62B 109.5
> CIF H62A C621 H62B 109.5
> CIF C62 C621 H62C 109.5
> CIF H62A C621 H62C 109.5
> CIF H62B C621 H62C 109.5
> CIF C64 C641 H64A 109.5
> CIF C64 C641 H64B 109.5
> CIF H64A C641 H64B 109.5
> CIF C64 C641 H64C 109.5
> CIF H64A C641 H64C 109.5
> CIF H64B C641 H64C 109.5
> CIF C66 C661 H66A 109.5
> CIF C66 C661 H66B 109.5
> CIF H66A C661 H66B 109.5
> CIF C66 C661 H66C 109.5
> CIF H66A C661 H66C 109.5
> CIF H66B C661 H66C 109.5
> CIF C72 C71 C76 119.38(12)
> CIF C72 C71 P1 117.60(10)
> CIF C76 C71 P1 122.98(10)
> CIF C73 C72 C71 119.18(13)
> CIF C73 C72 C721 116.17(13)
> CIF C71 C72 C721 124.57(12)
> CIF C74 C73 C72 122.34(14)
> CIF C74 C73 H73 118.8
> CIF C72 C73 H73 118.8
> CIF C75 C74 C73 117.80(13)
> CIF C75 C74 C741 121.01(15)
> CIF C73 C74 C741 121.15(16)
> CIF C74 C75 C76 123.00(14)
> CIF C74 C75 H75 118.5
> CIF C76 C75 H75 118.5
> CIF C75 C76 C71 118.19(14)
> CIF C75 C76 C761 116.43(13)
> CIF C71 C76 C761 125.34(13)
> CIF C72 C721 H72A 109.5
> CIF C72 C721 H72B 109.5
> CIF H72A C721 H72B 109.5
> CIF C72 C721 H72C 109.5
> CIF H72A C721 H72C 109.5
> CIF H72B C721 H72C 109.5
> CIF C74 C741 H74A 109.5
> CIF C74 C741 H74B 109.5
> CIF H74A C741 H74B 109.5
> CIF C74 C741 H74C 109.5
> CIF H74A C741 H74C 109.5
> CIF H74B C741 H74C 109.5
> CIF C76 C761 H76A 109.5
> CIF C76 C761 H76B 109.5
> CIF H76A C761 H76B 109.5
> CIF C76 C761 H76C 109.5
> CIF H76A C761 H76C 109.5
> CIF H76B C761 H76C 109.5
> CIF C8 O1 Al1 123.13(8)
> CIF O1 C8 C81 122.44(11)
> CIF O1 C8 P1 108.49(9)
> CIF C81 C8 P1 129.05(10)
> CIF C8 C81 C82 118.49(11)
> CIF C8 C81 C86 125.80(12)
> CIF C82 C81 C86 115.67(11)
> CIF C83 C82 C81 122.47(12)
> CIF C83 C82 H82 118.8
> CIF C81 C82 H82 118.8
> CIF C82 C83 C84 123.78(13)
> CIF C82 C83 H83 118.1
> CIF C84 C83 H83 118.1
> CIF C85 C84 C83 110.96(11)
> CIF C85 C84 C91 112.64(12)
> CIF C83 C84 C91 112.46(12)
> CIF C85 C84 H84 106.8
> CIF C83 C84 H84 106.8
> CIF C91 C84 H84 106.8
> CIF C86 C85 C84 124.23(13)
> CIF C86 C85 H85 117.9
> CIF C84 C85 H85 117.9
> CIF C85 C86 C81 121.91(13)
> CIF C85 C86 H86 119.0
> CIF C81 C86 H86 119.0
> CIF C912 C91 C911 109.70(15)
> CIF C912 C91 C913 108.60(15)
> CIF C911 C91 C913 109.67(15)
> CIF C912 C91 C84 109.09(13)
> CIF C911 C91 C84 110.21(13)
> CIF C913 C91 C84 109.54(13)
> CIF C91 C911 H91A 109.5
> CIF C91 C911 H91B 109.5
> CIF H91A C911 H91B 109.5
> CIF C91 C911 H91C 109.5
> CIF H91A C911 H91C 109.5
> CIF H91B C911 H91C 109.5
> CIF C91 C912 H91D 109.5
> CIF C91 C912 H91E 109.5
> CIF H91D C912 H91E 109.5
> CIF C91 C912 H91F 109.5
> CIF H91D C912 H91F 109.5
> CIF H91E C912 H91F 109.5
> CIF C91 C913 H91G 109.5
> CIF C91 C913 H91H 109.5
> CIF H91G C913 H91H 109.5
> CIF C91 C913 H91I 109.5
> CIF H91G C913 H91I 109.5
> CIF H91H C913 H91I 109.5
> CIF C05 C01 C02 104.1(5)
> CIF C05 C01 H01A 110.9
> CIF C02 C01 H01A 110.9
> CIF C05 C01 H01B 110.9
> CIF C02 C01 H01B 110.9
> CIF H01A C01 H01B 109.0
> CIF C03 C02 C01 104.3(6)
> CIF C03 C02 H02A 110.9
> CIF C01 C02 H02A 110.9
> CIF C03 C02 H02B 110.9
> CIF C01 C02 H02B 110.9
> CIF H02A C02 H02B 108.9
> CIF C04 C03 C02 107.3(5)
> CIF C04 C03 H03A 110.3
> CIF C02 C03 H03A 110.3
> CIF C04 C03 H03B 110.3
> CIF C02 C03 H03B 110.3
> CIF H03A C03 H03B 108.5
> CIF C03 C04 C05 107.3(5)
> CIF C03 C04 H04A 110.2
> CIF C05 C04 H04A 110.2
> CIF C03 C04 H04B 110.2
> CIF C05 C04 H04B 110.2
> CIF H04A C04 H04B 108.5
> CIF C04 C05 C01 103.3(5)
> CIF C04 C05 H05A 111.1
> CIF C01 C05 H05A 111.1
> CIF C04 C05 H05B 111.1
> CIF C01 C05 H05B 111.1
> CIF H05A C05 H05B 109.1
> CIF C05A C01A C02A 105.3(8)
> CIF C05A C01A H01C 110.7
> CIF C02A C01A H01C 110.7
> CIF C05A C01A H01D 110.7
> CIF C02A C01A H01D 110.7
> CIF H01C C01A H01D 108.8
> CIF C01A C02A C03A 104.6(8)
> CIF C01A C02A H02C 110.8
> CIF C03A C02A H02C 110.8
> CIF C01A C02A H02D 110.8
> CIF C03A C02A H02D 110.8
> CIF H02C C02A H02D 108.9
> CIF C04A C03A C02A 105.8(8)
> CIF C04A C03A H03C 110.6
> CIF C02A C03A H03C 110.6
> CIF C04A C03A H03D 110.6
> CIF C02A C03A H03D 110.6
> CIF H03C C03A H03D 108.7
> CIF C03A C04A C05A 104.4(9)
> CIF C03A C04A H04C 110.9
> CIF C05A C04A H04C 110.9
> CIF C03A C04A H04D 110.9
> CIF C05A C04A H04D 110.9
> CIF H04C C04A H04D 108.9
> CIF C01A C05A C04A 105.5(7)
> CIF C01A C05A H05C 110.6
> CIF C04A C05A H05C 110.6
> CIF C01A C05A H05D 110.6
> CIF C04A C05A H05D 110.6
> CIF H05C C05A H05D 108.8
> CIF loop_
> CIF _geom_bond_atom_site_label_1
> CIF _geom_bond_atom_site_label_2
> CIF _geom_bond_distance
> CIF C1 C2 1.3386(17)
> CIF C1 P1 1.7924(13)
> CIF C1 Al1 2.0562(13)
> CIF C2 C31 1.4730(17)
> CIF C2 H2 0.9600
> CIF C31 C32 1.3883(19)
> CIF C31 C36 1.3972(18)
> CIF C32 C33 1.385(2)
> CIF C32 H32 0.9600
> CIF C33 C34 1.379(2)
> CIF C33 H33 0.9600
> CIF C34 C35 1.383(2)
> CIF C34 H34 0.9600
> CIF C35 C36 1.388(2)
> CIF C35 H35 0.9600
> CIF C36 H36 0.9600
> CIF Al1 O1 1.8244(10)
> CIF Al1 C41 2.0158(15)
> CIF Al1 C51 2.0160(14)
> CIF C41 C413 1.527(2)
> CIF C41 C411 1.528(2)
> CIF C41 C412 1.538(2)
> CIF C411 H41A 0.9599
> CIF C411 H41B 0.9599
> CIF C411 H41C 0.9599
> CIF C412 H41D 0.9599
> CIF C412 H41E 0.9599
> CIF C412 H41F 0.9599
> CIF C413 H41G 0.9599
> CIF C413 H41H 0.9599
> CIF C413 H41I 0.9599
> CIF C51 C512 1.527(2)
> CIF C51 C513 1.533(2)
> CIF C51 C511 1.535(2)
> CIF C511 H51A 0.9599
> CIF C511 H51B 0.9599
> CIF C511 H51C 0.9599
> CIF C512 H51D 0.9599
> CIF C512 H51E 0.9599
> CIF C512 H51F 0.9599
> CIF C513 H51G 0.9599
> CIF C513 H51H 0.9599
> CIF C513 H51I 0.9599
> CIF P1 C71 1.8240(13)
> CIF P1 C61 1.8241(12)
> CIF P1 C8 1.8291(13)
> CIF C61 C66 1.4133(17)
> CIF C61 C62 1.4240(18)
> CIF C62 C63 1.3937(19)
> CIF C62 C621 1.504(2)
> CIF C63 C64 1.383(2)
> CIF C63 H63 0.9600
> CIF C64 C65 1.381(2)
> CIF C64 C641 1.506(2)
> CIF C65 C66 1.3916(18)
> CIF C65 H65 0.9600
> CIF C66 C661 1.5072(19)
> CIF C621 H62A 0.9599
> CIF C621 H62B 0.9599
> CIF C621 H62C 0.9599
> CIF C641 H64A 0.9599
> CIF C641 H64B 0.9599
> CIF C641 H64C 0.9599
> CIF C661 H66A 0.9599
> CIF C661 H66B 0.9599
> CIF C661 H66C 0.9599
> CIF C71 C72 1.4134(19)
> CIF C71 C76 1.4163(18)
> CIF C72 C73 1.3907(19)
> CIF C72 C721 1.510(2)
> CIF C73 C74 1.382(2)
> CIF C73 H73 0.9600
> CIF C74 C75 1.381(2)
> CIF C74 C741 1.506(2)
> CIF C75 C76 1.398(2)
> CIF C75 H75 0.9600
> CIF C76 C761 1.503(2)
> CIF C721 H72A 0.9599
> CIF C721 H72B 0.9599
> CIF C721 H72C 0.9599
> CIF C741 H74A 0.9599
> CIF C741 H74B 0.9599
> CIF C741 H74C 0.9599
> CIF C761 H76A 0.9599
> CIF C761 H76B 0.9599
> CIF C761 H76C 0.9599
> CIF O1 C8 1.3358(14)
> CIF C8 C81 1.3602(17)
> CIF C81 C82 1.4539(18)
> CIF C81 C86 1.4560(18)
> CIF C82 C83 1.3337(19)
> CIF C82 H82 0.9600
> CIF C83 C84 1.500(2)
> CIF C83 H83 0.9600
> CIF C84 C85 1.498(2)
> CIF C84 C91 1.572(2)
> CIF C84 H84 0.9600
> CIF C85 C86 1.336(2)
> CIF C85 H85 0.9600
> CIF C86 H86 0.9600
> CIF C91 C912 1.519(2)
> CIF C91 C911 1.523(2)
> CIF C91 C913 1.525(2)
> CIF C911 H91A 0.9599
> CIF C911 H91B 0.9599
> CIF C911 H91C 0.9599
> CIF C912 H91D 0.9599
> CIF C912 H91E 0.9599
> CIF C912 H91F 0.9599
> CIF C913 H91G 0.9599
> CIF C913 H91H 0.9599
> CIF C913 H91I 0.9599
> CIF C01 C05 1.507(6)
> CIF C01 C02 1.515(8)
> CIF C01 H01A 0.9600
> CIF C01 H01B 0.9600
> CIF C02 C03 1.515(7)
> CIF C02 H02A 0.9600
> CIF C02 H02B 0.9600
> CIF C03 C04 1.475(9)
> CIF C03 H03A 0.9600
> CIF C03 H03B 0.9600
> CIF C04 C05 1.484(7)
> CIF C04 H04A 0.9600
> CIF C04 H04B 0.9600
> CIF C05 H05A 0.9600
> CIF C05 H05B 0.9600
> CIF C01A C05A 1.434(10)
> CIF C01A C02A 1.504(12)
> CIF C01A H01C 0.9600
> CIF C01A H01D 0.9600
> CIF C02A C03A 1.535(12)
> CIF C02A H02C 0.9600
> CIF C02A H02D 0.9600
> CIF C03A C04A 1.430(13)
> CIF C03A H03C 0.9600
> CIF C03A H03D 0.9600
> CIF C04A C05A 1.478(11)
> CIF C04A H04C 0.9600
> CIF C04A H04D 0.9600
> CIF C05A H05C 0.9600
> CIF C05A H05D 0.9600
> CIF loop_
> CIF _geom_torsion_atom_site_label_1
> CIF _geom_torsion_atom_site_label_2
> CIF _geom_torsion_atom_site_label_3
> CIF _geom_torsion_atom_site_label_4
> CIF _geom_torsion
> CIF P1 C1 C2 C31 172.35(10)
> CIF Al1 C1 C2 C31 -22.40(19)
> CIF C1 C2 C31 C32 -37.96(19)
> CIF C1 C2 C31 C36 144.67(13)
> CIF C36 C31 C32 C33 -0.8(2)
> CIF C2 C31 C32 C33 -178.25(13)
> CIF C31 C32 C33 C34 0.0(2)
> CIF C32 C33 C34 C35 -0.2(2)
> CIF C33 C34 C35 C36 1.2(2)
> CIF C34 C35 C36 C31 -2.1(2)
> CIF C32 C31 C36 C35 1.8(2)
> CIF C2 C31 C36 C35 179.24(12)
> CIF C2 C1 Al1 O1 -153.09(13)
> CIF P1 C1 Al1 O1 13.67(6)
> CIF C2 C1 Al1 C41 -45.98(14)
> CIF P1 C1 Al1 C41 120.79(7)
> CIF C2 C1 Al1 C51 97.78(13)
> CIF P1 C1 Al1 C51 -95.46(7)
> CIF O1 Al1 C41 C413 54.62(12)
> CIF C51 Al1 C41 C413 173.27(11)
> CIF C1 Al1 C41 C413 -41.63(13)
> CIF O1 Al1 C41 C411 177.00(11)
> CIF C51 Al1 C41 C411 -64.35(13)
> CIF C1 Al1 C41 C411 80.75(12)
> CIF O1 Al1 C41 C412 -62.63(11)
> CIF C51 Al1 C41 C412 56.01(12)
> CIF C1 Al1 C41 C412 -158.89(10)
> CIF O1 Al1 C51 C512 -84.19(12)
> CIF C41 Al1 C51 C512 157.58(11)
> CIF C1 Al1 C51 C512 15.22(13)
> CIF O1 Al1 C51 C513 33.38(12)
> CIF C41 Al1 C51 C513 -84.85(12)
> CIF C1 Al1 C51 C513 132.79(11)
> CIF O1 Al1 C51 C511 152.09(11)
> CIF C41 Al1 C51 C511 33.86(14)
> CIF C1 Al1 C51 C511 -108.50(12)
> CIF C2 C1 P1 C71 -107.85(11)
> CIF Al1 C1 P1 C71 83.56(7)
> CIF C2 C1 P1 C61 17.17(13)
> CIF Al1 C1 P1 C61 -151.42(6)
> CIF C2 C1 P1 C8 140.02(11)
> CIF Al1 C1 P1 C8 -28.56(6)
> CIF C1 P1 C61 C66 47.94(12)
> CIF C71 P1 C61 C66 168.52(9)
> CIF C8 P1 C61 C66 -65.41(11)
> CIF C1 P1 C61 C62 -132.75(11)
> CIF C71 P1 C61 C62 -12.17(13)
> CIF C8 P1 C61 C62 113.90(12)
> CIF C66 C61 C62 C63 -3.6(2)
> CIF P1 C61 C62 C63 177.12(11)
> CIF C66 C61 C62 C621 173.77(15)
> CIF P1 C61 C62 C621 -5.5(2)
> CIF C61 C62 C63 C64 1.0(2)
> CIF C621 C62 C63 C64 -176.64(15)
> CIF C62 C63 C64 C65 1.4(2)
> CIF C62 C63 C64 C641 179.61(15)
> CIF C63 C64 C65 C66 -1.3(2)
> CIF C641 C64 C65 C66 -179.45(15)
> CIF C64 C65 C66 C61 -1.3(2)
> CIF C64 C65 C66 C661 175.22(13)
> CIF C62 C61 C66 C65 3.78(19)
> CIF P1 C61 C66 C65 -176.88(10)
> CIF C62 C61 C66 C661 -172.46(13)
> CIF P1 C61 C66 C661 6.88(17)
> CIF C1 P1 C71 C72 52.71(11)
> CIF C61 P1 C71 C72 -74.48(11)
> CIF C8 P1 C71 C72 156.40(10)
> CIF C1 P1 C71 C76 -125.26(11)
> CIF C61 P1 C71 C76 107.55(11)
> CIF C8 P1 C71 C76 -21.57(13)
> CIF C76 C71 C72 C73 3.66(19)
> CIF P1 C71 C72 C73 -174.38(10)
> CIF C76 C71 C72 C721 -172.88(13)
> CIF P1 C71 C72 C721 9.07(18)
> CIF C71 C72 C73 C74 -1.6(2)
> CIF C721 C72 C73 C74 175.20(14)
> CIF C72 C73 C74 C75 -1.2(2)
> CIF C72 C73 C74 C741 -178.66(14)
> CIF C73 C74 C75 C76 2.0(2)
> CIF C741 C74 C75 C76 179.51(14)
> CIF C74 C75 C76 C71 0.0(2)
> CIF C74 C75 C76 C761 -177.93(14)
> CIF C72 C71 C76 C75 -2.86(19)
> CIF P1 C71 C76 C75 175.08(10)
> CIF C72 C71 C76 C761 174.85(14)
> CIF P1 C71 C76 C761 -7.2(2)
> CIF C41 Al1 O1 C8 -99.34(10)
> CIF C51 Al1 O1 C8 135.60(10)
> CIF C1 Al1 O1 C8 14.12(10)
> CIF Al1 O1 C8 C81 145.48(10)
> CIF Al1 O1 C8 P1 -35.85(12)
> CIF C1 P1 C8 O1 38.97(9)
> CIF C71 P1 C8 O1 -69.24(10)
> CIF C61 P1 C8 O1 162.81(8)
> CIF C1 P1 C8 C81 -142.48(12)
> CIF C71 P1 C8 C81 109.32(12)
> CIF C61 P1 C8 C81 -18.64(14)
> CIF O1 C8 C81 C82 -3.20(19)
> CIF P1 C8 C81 C82 178.43(10)
> CIF O1 C8 C81 C86 174.49(12)
> CIF P1 C8 C81 C86 -3.9(2)
> CIF C8 C81 C82 C83 172.01(13)
> CIF C86 C81 C82 C83 -5.91(19)
> CIF C81 C82 C83 C84 -1.9(2)
> CIF C82 C83 C84 C85 9.2(2)
> CIF C82 C83 C84 C91 -117.99(16)
> CIF C83 C84 C85 C86 -9.7(2)
> CIF C91 C84 C85 C86 117.42(16)
> CIF C84 C85 C86 C81 2.8(2)
> CIF C8 C81 C86 C85 -172.29(14)
> CIF C82 C81 C86 C85 5.5(2)
> CIF C85 C84 C91 C912 57.88(17)
> CIF C83 C84 C91 C912 -175.84(14)
> CIF C85 C84 C91 C911 -62.62(16)
> CIF C83 C84 C91 C911 63.66(17)
> CIF C85 C84 C91 C913 176.63(14)
> CIF C83 C84 C91 C913 -57.09(18)
> CIF C05 C01 C02 C03 30.5(8)
> CIF C01 C02 C03 C04 -12.1(9)
> CIF C02 C03 C04 C05 -11.3(9)
> CIF C03 C04 C05 C01 30.2(8)
> CIF C02 C01 C05 C04 -37.4(8)
> CIF C05A C01A C02A C03A 13.9(14)
> CIF C01A C02A C03A C04A 10.0(14)
> CIF C02A C03A C04A C05A -29.4(14)
> CIF C02A C01A C05A C04A -32.4(14)
> CIF C03A C04A C05A C01A 39.3(15)
> CIF data_compound_7
> CIF _chemical_formula_sum            'C30 H48 Al2 N2 O2'
> CIF _chemical_formula_weight         522.66
> CIF _chemical_name_systematic
> CIF ; 
> CIF  ? 
> CIF ;
> CIF _space_group_IT_number           14
> CIF _symmetry_cell_setting           monoclinic
> CIF _symmetry_space_group_name_Hall  '-P 2ybc'
> CIF _symmetry_space_group_name_H-M   'P 1 21/c 1'
> CIF _atom_sites_solution_hydrogens   geom
> CIF _atom_sites_solution_primary     direct
> CIF _atom_sites_solution_secondary   difmap
> CIF _audit_creation_method           SHELXL-97
> CIF _cell_angle_alpha                90.00
> CIF _cell_angle_beta                 104.829(3)
> CIF _cell_angle_gamma                90.00
> CIF _cell_formula_units_Z            2
> CIF _cell_length_a                   8.1728(4)
> CIF _cell_length_b                   16.6678(7)
> CIF _cell_length_c                   11.8972(6)
> CIF _cell_measurement_reflns_used    4320
> CIF _cell_measurement_temperature    153(2)
> CIF _cell_measurement_theta_max      71.92
> CIF _cell_measurement_theta_min      4.67
> CIF _cell_volume                     1566.69(13)
> CIF _computing_cell_refinement       'Bruker SAINT+'
> CIF _computing_data_collection       'Bruker SMART'
> CIF _computing_data_reduction        'Bruker SHELXTL'
> CIF _computing_molecular_graphics    'Bruker SHELXTL'
> CIF _computing_publication_material  'Bruker SHELXTL'
> CIF _computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
> CIF _computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
> CIF _diffrn_ambient_temperature      153(2)
> CIF _diffrn_measured_fraction_theta_full 0.964
> CIF _diffrn_measured_fraction_theta_max 0.964
> CIF _diffrn_measurement_device_type  'CCD area detector'
> CIF _diffrn_measurement_method       'omega scans'
> CIF _diffrn_radiation_monochromator  graphite
> CIF _diffrn_radiation_source         'rotating anode'
> CIF _diffrn_radiation_type           CuK\a
> CIF _diffrn_radiation_wavelength     1.54178
> CIF _diffrn_reflns_av_R_equivalents  0.1230
> CIF _diffrn_reflns_av_sigmaI/netI    0.0759
> CIF _diffrn_reflns_limit_h_max       8
> CIF _diffrn_reflns_limit_h_min       -9
> CIF _diffrn_reflns_limit_k_max       20
> CIF _diffrn_reflns_limit_k_min       -20
> CIF _diffrn_reflns_limit_l_max       12
> CIF _diffrn_reflns_limit_l_min       -14
> CIF _diffrn_reflns_number            8747
> CIF _diffrn_reflns_theta_full        67.98
> CIF _diffrn_reflns_theta_max         67.98
> CIF _diffrn_reflns_theta_min         4.67
> CIF _exptl_absorpt_coefficient_mu    1.037
> CIF _exptl_absorpt_correction_T_max  0.9404
> CIF _exptl_absorpt_correction_T_min  0.8517
> CIF _exptl_absorpt_correction_type   empirical
> CIF _exptl_absorpt_process_details   SADABS
> CIF _exptl_crystal_colour            colourless
> CIF _exptl_crystal_density_diffrn    1.108
> CIF _exptl_crystal_density_method    'not measured'
> CIF _exptl_crystal_description       block
> CIF _exptl_crystal_F_000             568
> CIF _exptl_crystal_size_max          0.16
> CIF _exptl_crystal_size_mid          0.09
> CIF _exptl_crystal_size_min          0.06
> CIF _refine_diff_density_max         0.337
> CIF _refine_diff_density_min         -0.271
> CIF _refine_diff_density_rms
> CIF '0.047 ================================================================================================================================='
> CIF _refine_ls_extinction_method     none
> CIF _refine_ls_goodness_of_fit_ref   1.065
> CIF _refine_ls_hydrogen_treatment    mixed
> CIF _refine_ls_matrix_type           full
> CIF _refine_ls_number_parameters     198
> CIF _refine_ls_number_reflns         2755
> CIF _refine_ls_number_restraints     42
> CIF _refine_ls_restrained_S_all      1.081
> CIF _refine_ls_R_factor_all          0.0531
> CIF _refine_ls_R_factor_gt           0.0442
> CIF _refine_ls_shift/su_max          0.000
> CIF _refine_ls_shift/su_mean         0.000
> CIF _refine_ls_structure_factor_coef Fsqd
> CIF _refine_ls_weighting_details
> CIF 'calc w=1/[\s^2^(Fo^2^)+(0.0718P)^2^+0.0017P] where P=(Fo^2^+2Fc^2^)/3'
> CIF _refine_ls_weighting_scheme      calc
> CIF _refine_ls_wR_factor_gt          0.1224
> CIF _refine_ls_wR_factor_ref         0.1277
> CIF _reflns_number_gt                2263
> CIF _reflns_number_total             2755
> CIF _reflns_threshold_expression     >2sigma(I)
> CIF _cod_data_source_file            om400620h_si_001.cif
> CIF _cod_data_source_block           compound_7
> CIF _cod_original_sg_symbol_H-M      P21/c
> CIF loop_
> CIF _symmetry_equiv_pos_as_xyz
> CIF 'x, y, z'
> CIF '-x, y+1/2, -z+1/2'
> CIF '-x, -y, -z'
> CIF 'x, -y-1/2, z-1/2'
> CIF loop_
> CIF _atom_site_label
> CIF _atom_site_type_symbol
> CIF _atom_site_fract_x
> CIF _atom_site_fract_y
> CIF _atom_site_fract_z
> CIF _atom_site_U_iso_or_equiv
> CIF _atom_site_adp_type
> CIF _atom_site_occupancy
> CIF _atom_site_symmetry_multiplicity
> CIF _atom_site_calc_flag
> CIF _atom_site_refinement_flags
> CIF _atom_site_disorder_assembly
> CIF _atom_site_disorder_group
> CIF Al1 Al 0.47534(6) 0.01308(3) 0.17113(4) 0.02676(19) Uani 1 1 d . . .
> CIF O1 O 0.64853(15) 0.03896(7) -0.04640(11) 0.0326(3) Uani 1 1 d . . .
> CIF C1 C 0.6600(2) 0.09897(9) 0.02210(14) 0.0271(4) Uani 1 1 d . . .
> CIF C21 C 0.7494(2) 0.17206(9) -0.00298(14) 0.0263(4) Uani 1 1 d . . .
> CIF C22 C 0.8403(2) 0.16864(11) -0.08739(16) 0.0364(4) Uani 1 1 d . . .
> CIF H22 H 0.8422 0.1198 -0.1297 0.044 Uiso 1 1 calc R . .
> CIF C23 C 0.9276(2) 0.23491(11) -0.11061(18) 0.0412(5) Uani 1 1 d . . .
> CIF H23 H 0.9903 0.2318 -0.1686 0.049 Uiso 1 1 calc R . .
> CIF C24 C 0.9251(2) 0.30549(10) -0.05089(19) 0.0396(5) Uani 1 1 d . . .
> CIF H24 H 0.9860 0.3515 -0.0670 0.048 Uiso 1 1 calc R . .
> CIF C25 C 0.8348(3) 0.30975(10) 0.0322(2) 0.0433(5) Uani 1 1 d . . .
> CIF H25 H 0.8330 0.3589 0.0739 0.052 Uiso 1 1 calc R . .
> CIF C26 C 0.7468(2) 0.24377(10) 0.05566(16) 0.0349(4) Uani 1 1 d . . .
> CIF H26 H 0.6833 0.2476 0.1131 0.042 Uiso 1 1 calc R . .
> CIF N1 N 0.5999(2) 0.09437(9) 0.11354(14) 0.0349(4) Uani 1 1 d . . .
> CIF H1 H 0.617(3) 0.1333(13) 0.155(2) 0.047(6) Uiso 1 1 d . . .
> CIF C3 C 0.6432(2) -0.06172(11) 0.26704(16) 0.0371(4) Uani 1 1 d D . .
> CIF C31 C 0.7448(4) -0.10443(16) 0.1926(2) 0.0696(8) Uani 1 1 d D . .
> CIF H31A H 0.8329 -0.1360 0.2418 0.084 Uiso 1 1 calc R . .
> CIF H31B H 0.7942 -0.0652 0.1520 0.084 Uiso 1 1 calc R . .
> CIF H31C H 0.6709 -0.1388 0.1373 0.084 Uiso 1 1 calc R . .
> CIF C32 C 0.7692(3) -0.01430(13) 0.3609(2) 0.0539(6) Uani 1 1 d D . .
> CIF H32A H 0.7102 0.0113 0.4112 0.065 Uiso 1 1 calc R . .
> CIF H32B H 0.8234 0.0256 0.3248 0.065 Uiso 1 1 calc R . .
> CIF H32C H 0.8530 -0.0501 0.4055 0.065 Uiso 1 1 calc R . .
> CIF C33 C 0.5642(3) -0.12655(15) 0.3270(2) 0.0657(7) Uani 1 1 d D . .
> CIF H33A H 0.4886 -0.1587 0.2694 0.079 Uiso 1 1 calc R . .
> CIF H33B H 0.5024 -0.1018 0.3763 0.079 Uiso 1 1 calc R . .
> CIF H33C H 0.6518 -0.1600 0.3729 0.079 Uiso 1 1 calc R . .
> CIF C4 C 0.3168(2) 0.07702(11) 0.23795(17) 0.0373(4) Uani 1 1 d D . .
> CIF C41 C 0.4169(18) 0.1318(8) 0.3343(11) 0.068(4) Uani 0.482(13) 1 d PDU A 1
> CIF H41A H 0.4882 0.1666 0.3033 0.081 Uiso 0.482(13) 1 calc PR A 1
> CIF H41B H 0.4855 0.0998 0.3956 0.081 Uiso 0.482(13) 1 calc PR A 1
> CIF H41C H 0.3398 0.1635 0.3646 0.081 Uiso 0.482(13) 1 calc PR A 1
> CIF C42 C 0.2260(12) 0.1385(6) 0.1377(6) 0.070(3) Uani 0.482(13) 1 d PDU A 1
> CIF H42A H 0.3102 0.1663 0.1093 0.084 Uiso 0.482(13) 1 calc PR A 1
> CIF H42B H 0.1609 0.1766 0.1687 0.084 Uiso 0.482(13) 1 calc PR A 1
> CIF H42C H 0.1525 0.1095 0.0751 0.084 Uiso 0.482(13) 1 calc PR A 1
> CIF C43 C 0.1833(17) 0.0325(6) 0.2724(16) 0.113(6) Uani 0.482(13) 1 d PDU A 1
> CIF H43A H 0.1280 -0.0027 0.2105 0.135 Uiso 0.482(13) 1 calc PR A 1
> CIF H43B H 0.1023 0.0695 0.2886 0.135 Uiso 0.482(13) 1 calc PR A 1
> CIF H43C H 0.2320 0.0015 0.3408 0.135 Uiso 0.482(13) 1 calc PR A 1
> CIF C4A C 0.3970(13) 0.1465(6) 0.3126(10) 0.047(2) Uani 0.518(13) 1 d PDU A 2
> CIF H4A1 H 0.4984 0.1288 0.3674 0.056 Uiso 0.518(13) 1 calc PR A 2
> CIF H4A2 H 0.3193 0.1673 0.3538 0.056 Uiso 0.518(13) 1 calc PR A 2
> CIF H4A3 H 0.4245 0.1879 0.2644 0.056 Uiso 0.518(13) 1 calc PR A 2
> CIF C4B C 0.1611(9) 0.1000(5) 0.1471(5) 0.0555(18) Uani 0.518(13) 1 d PDU A 2
> CIF H4B1 H 0.1200 0.0544 0.0988 0.067 Uiso 0.518(13) 1 calc PR A 2
> CIF H4B2 H 0.1875 0.1425 0.1002 0.067 Uiso 0.518(13) 1 calc PR A 2
> CIF H4B3 H 0.0758 0.1178 0.1838 0.067 Uiso 0.518(13) 1 calc PR A 2
> CIF C4C C 0.2519(8) 0.0201(4) 0.3246(5) 0.0438(14) Uani 0.518(13) 1 d PDU A 2
> CIF H4C1 H 0.3461 0.0040 0.3869 0.053 Uiso 0.518(13) 1 calc PR A 2
> CIF H4C2 H 0.1993 -0.0265 0.2834 0.053 Uiso 0.518(13) 1 calc PR A 2
> CIF H4C3 H 0.1712 0.0485 0.3558 0.053 Uiso 0.518(13) 1 calc PR A 2
> CIF loop_
> CIF _atom_site_aniso_label
> CIF _atom_site_aniso_U_11
> CIF _atom_site_aniso_U_22
> CIF _atom_site_aniso_U_33
> CIF _atom_site_aniso_U_23
> CIF _atom_site_aniso_U_13
> CIF _atom_site_aniso_U_12
> CIF Al1 0.0356(3) 0.0246(3) 0.0237(3) -0.0013(2) 0.0143(2) -0.0020(2)
> CIF O1 0.0399(7) 0.0287(6) 0.0316(7) -0.0065(5) 0.0135(5) -0.0044(5)
> CIF C1 0.0301(8) 0.0266(8) 0.0248(8) -0.0012(7) 0.0073(6) -0.0012(7)
> CIF C21 0.0288(8) 0.0256(8) 0.0241(8) 0.0016(7) 0.0062(6) -0.0012(7)
> CIF C22 0.0463(11) 0.0332(9) 0.0342(10) -0.0041(8) 0.0188(8) -0.0049(8)
> CIF C23 0.0457(11) 0.0421(10) 0.0420(11) 0.0044(9) 0.0224(8) -0.0046(9)
> CIF C24 0.0428(11) 0.0301(9) 0.0487(12) 0.0074(9) 0.0167(9) -0.0049(8)
> CIF C25 0.0582(12) 0.0243(8) 0.0514(13) -0.0037(9) 0.0214(10) -0.0050(8)
> CIF C26 0.0435(10) 0.0300(8) 0.0363(10) -0.0032(8) 0.0193(8) -0.0028(8)
> CIF N1 0.0503(9) 0.0279(7) 0.0323(8) -0.0072(7) 0.0213(7) -0.0109(7)
> CIF C3 0.0482(11) 0.0329(9) 0.0300(10) -0.0003(8) 0.0095(8) 0.0062(8)
> CIF C31 0.0816(17) 0.0771(17) 0.0494(14) -0.0023(13) 0.0152(12) 0.0453(15)
> CIF C32 0.0546(13) 0.0487(12) 0.0504(14) -0.0030(11) -0.0011(10) 0.0063(10)
> CIF C33 0.0749(16) 0.0538(13) 0.0591(15) 0.0255(12) 0.0000(12) -0.0051(12)
> CIF C4 0.0407(10) 0.0397(10) 0.0352(10) -0.0087(8) 0.0167(8) 0.0015(8)
> CIF C41 0.077(5) 0.069(7) 0.054(5) -0.030(5) 0.012(4) 0.033(4)
> CIF C42 0.058(4) 0.089(6) 0.061(4) -0.013(4) 0.009(3) 0.040(4)
> CIF C43 0.106(9) 0.056(4) 0.226(16) -0.042(7) 0.134(10) -0.018(5)
> CIF C4A 0.047(4) 0.032(3) 0.068(5) -0.011(3) 0.028(3) -0.001(3)
> CIF C4B 0.053(3) 0.073(4) 0.040(3) -0.001(3) 0.012(2) 0.024(3)
> CIF C4C 0.049(3) 0.048(3) 0.047(3) -0.002(2) 0.034(2) 0.006(2)
> CIF loop_
> CIF _atom_type_symbol
> CIF _atom_type_description
> CIF _atom_type_scat_dispersion_real
> CIF _atom_type_scat_dispersion_imag
> CIF _atom_type_scat_source
> CIF C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF Al Al 0.2130 0.2455 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
> CIF loop_
> CIF _geom_angle_atom_site_label_1
> CIF _geom_angle_atom_site_label_2
> CIF _geom_angle_atom_site_label_3
> CIF _geom_angle
> CIF _geom_angle_site_symmetry_1
> CIF _geom_angle_site_symmetry_3
> CIF O1 Al1 N1 106.53(7) 3_655 .
> CIF O1 Al1 C3 109.45(7) 3_655 .
> CIF N1 Al1 C3 107.23(8) . .
> CIF O1 Al1 C4 107.58(7) 3_655 .
> CIF N1 Al1 C4 102.88(7) . .
> CIF C3 Al1 C4 122.07(8) . .
> CIF C1 O1 Al1 147.20(12) . 3_655
> CIF O1 C1 N1 120.23(15) . .
> CIF O1 C1 C21 118.17(14) . .
> CIF N1 C1 C21 121.55(14) . .
> CIF C26 C21 C22 118.47(15) . .
> CIF C26 C21 C1 122.21(14) . .
> CIF C22 C21 C1 119.32(15) . .
> CIF C23 C22 C21 120.61(17) . .
> CIF C23 C22 H22 119.7 . .
> CIF C21 C22 H22 119.7 . .
> CIF C24 C23 C22 120.24(17) . .
> CIF C24 C23 H23 119.9 . .
> CIF C22 C23 H23 119.9 . .
> CIF C23 C24 C25 119.67(16) . .
> CIF C23 C24 H24 120.2 . .
> CIF C25 C24 H24 120.2 . .
> CIF C24 C25 C26 120.42(17) . .
> CIF C24 C25 H25 119.8 . .
> CIF C26 C25 H25 119.8 . .
> CIF C25 C26 C21 120.59(16) . .
> CIF C25 C26 H26 119.7 . .
> CIF C21 C26 H26 119.7 . .
> CIF C1 N1 Al1 133.21(13) . .
> CIF C1 N1 H1 114.8(16) . .
> CIF Al1 N1 H1 112.0(16) . .
> CIF C33 C3 C32 108.12(18) . .
> CIF C33 C3 C31 107.31(19) . .
> CIF C32 C3 C31 107.35(18) . .
> CIF C33 C3 Al1 113.60(14) . .
> CIF C32 C3 Al1 109.39(12) . .
> CIF C31 C3 Al1 110.85(14) . .
> CIF C3 C31 H31A 109.5 . .
> CIF C3 C31 H31B 109.5 . .
> CIF H31A C31 H31B 109.5 . .
> CIF C3 C31 H31C 109.5 . .
> CIF H31A C31 H31C 109.5 . .
> CIF H31B C31 H31C 109.5 . .
> CIF C3 C32 H32A 109.5 . .
> CIF C3 C32 H32B 109.5 . .
> CIF H32A C32 H32B 109.5 . .
> CIF C3 C32 H32C 109.5 . .
> CIF H32A C32 H32C 109.5 . .
> CIF H32B C32 H32C 109.5 . .
> CIF C3 C33 H33A 109.5 . .
> CIF C3 C33 H33B 109.5 . .
> CIF H33A C33 H33B 109.5 . .
> CIF C3 C33 H33C 109.5 . .
> CIF H33A C33 H33C 109.5 . .
> CIF H33B C33 H33C 109.5 . .
> CIF C43 C4 C4B 76.9(6) . .
> CIF C43 C4 C4A 117.9(7) . .
> CIF C4B C4 C4A 113.1(5) . .
> CIF C43 C4 C41 112.8(8) . .
> CIF C4B C4 C41 125.6(6) . .
> CIF C4A C4 C41 13.7(9) . .
> CIF C43 C4 C4C 28.1(7) . .
> CIF C4B C4 C4C 105.0(4) . .
> CIF C4A C4 C4C 104.1(5) . .
> CIF C41 C4 C4C 94.2(6) . .
> CIF C43 C4 C42 107.2(6) . .
> CIF C4B C4 C42 31.9(3) . .
> CIF C4A C4 C42 89.8(6) . .
> CIF C41 C4 C42 103.5(6) . .
> CIF C4C C4 C42 134.1(4) . .
> CIF C43 C4 Al1 116.7(4) . .
> CIF C4B C4 Al1 111.6(2) . .
> CIF C4A C4 Al1 114.7(4) . .
> CIF C41 C4 Al1 109.9(6) . .
> CIF C4C C4 Al1 107.4(3) . .
> CIF C42 C4 Al1 105.6(3) . .
> CIF C4 C41 H41A 109.5 . .
> CIF C4 C41 H41B 109.5 . .
> CIF H41A C41 H41B 109.5 . .
> CIF C4 C41 H41C 109.5 . .
> CIF H41A C41 H41C 109.5 . .
> CIF H41B C41 H41C 109.5 . .
> CIF C4 C42 H42A 109.5 . .
> CIF C4 C42 H42B 109.5 . .
> CIF H42A C42 H42B 109.5 . .
> CIF C4 C42 H42C 109.5 . .
> CIF H42A C42 H42C 109.5 . .
> CIF H42B C42 H42C 109.5 . .
> CIF C4 C43 H43A 109.5 . .
> CIF C4 C43 H43B 109.5 . .
> CIF H43A C43 H43B 109.5 . .
> CIF C4 C43 H43C 109.5 . .
> CIF H43A C43 H43C 109.5 . .
> CIF H43B C43 H43C 109.5 . .
> CIF C4 C4A H4A1 109.5 . .
> CIF C4 C4A H4A2 109.5 . .
> CIF H4A1 C4A H4A2 109.5 . .
> CIF C4 C4A H4A3 109.5 . .
> CIF H4A1 C4A H4A3 109.5 . .
> CIF H4A2 C4A H4A3 109.5 . .
> CIF C4 C4B H4B1 109.5 . .
> CIF C4 C4B H4B2 109.5 . .
> CIF H4B1 C4B H4B2 109.5 . .
> CIF C4 C4B H4B3 109.5 . .
> CIF H4B1 C4B H4B3 109.5 . .
> CIF H4B2 C4B H4B3 109.5 . .
> CIF C4 C4C H4C1 109.5 . .
> CIF C4 C4C H4C2 109.5 . .
> CIF H4C1 C4C H4C2 109.5 . .
> CIF C4 C4C H4C3 109.5 . .
> CIF H4C1 C4C H4C3 109.5 . .
> CIF H4C2 C4C H4C3 109.5 . .
> CIF loop_
> CIF _geom_bond_atom_site_label_1
> CIF _geom_bond_atom_site_label_2
> CIF _geom_bond_distance
> CIF _geom_bond_site_symmetry_2
> CIF Al1 O1 1.7918(13) 3_655
> CIF Al1 N1 1.9233(15) .
> CIF Al1 C3 1.9844(19) .
> CIF Al1 C4 1.9932(17) .
> CIF O1 C1 1.2783(19) .
> CIF O1 Al1 1.7918(13) 3_655
> CIF C1 N1 1.305(2) .
> CIF C1 C21 1.489(2) .
> CIF C21 C26 1.387(2) .
> CIF C21 C22 1.395(2) .
> CIF C22 C23 1.381(2) .
> CIF C22 H22 0.9600 .
> CIF C23 C24 1.377(3) .
> CIF C23 H23 0.9600 .
> CIF C24 C25 1.379(3) .
> CIF C24 H24 0.9600 .
> CIF C25 C26 1.381(2) .
> CIF C25 H25 0.9600 .
> CIF C26 H26 0.9600 .
> CIF N1 H1 0.81(2) .
> CIF C3 C33 1.526(3) .
> CIF C3 C32 1.530(3) .
> CIF C3 C31 1.536(3) .
> CIF C31 H31A 0.9599 .
> CIF C31 H31B 0.9599 .
> CIF C31 H31C 0.9599 .
> CIF C32 H32A 0.9599 .
> CIF C32 H32B 0.9599 .
> CIF C32 H32C 0.9599 .
> CIF C33 H33A 0.9599 .
> CIF C33 H33B 0.9599 .
> CIF C33 H33C 0.9599 .
> CIF C4 C43 1.462(7) .
> CIF C4 C4B 1.494(6) .
> CIF C4 C4A 1.505(8) .
> CIF C4 C41 1.529(9) .
> CIF C4 C4C 1.588(6) .
> CIF C4 C42 1.604(7) .
> CIF C41 H41A 0.9600 .
> CIF C41 H41B 0.9600 .
> CIF C41 H41C 0.9600 .
> CIF C42 H42A 0.9600 .
> CIF C42 H42B 0.9600 .
> CIF C42 H42C 0.9600 .
> CIF C43 H43A 0.9600 .
> CIF C43 H43B 0.9600 .
> CIF C43 H43C 0.9600 .
> CIF C4A H4A1 0.9600 .
> CIF C4A H4A2 0.9600 .
> CIF C4A H4A3 0.9600 .
> CIF C4B H4B1 0.9600 .
> CIF C4B H4B2 0.9600 .
> CIF C4B H4B3 0.9600 .
> CIF C4C H4C1 0.9600 .
> CIF C4C H4C2 0.9600 .
> CIF C4C H4C3 0.9600 .
> CIF loop_
> CIF _geom_torsion_atom_site_label_1
> CIF _geom_torsion_atom_site_label_2
> CIF _geom_torsion_atom_site_label_3
> CIF _geom_torsion_atom_site_label_4
> CIF _geom_torsion
> CIF _geom_torsion_site_symmetry_1
> CIF Al1 O1 C1 N1 88.2(2) 3_655
> CIF Al1 O1 C1 C21 -94.2(2) 3_655
> CIF O1 C1 C21 C26 170.33(17) .
> CIF N1 C1 C21 C26 -12.1(3) .
> CIF O1 C1 C21 C22 -10.3(2) .
> CIF N1 C1 C21 C22 167.24(17) .
> CIF C26 C21 C22 C23 0.9(3) .
> CIF C1 C21 C22 C23 -178.50(16) .
> CIF C21 C22 C23 C24 -0.3(3) .
> CIF C22 C23 C24 C25 -0.1(3) .
> CIF C23 C24 C25 C26 -0.1(3) .
> CIF C24 C25 C26 C21 0.7(3) .
> CIF C22 C21 C26 C25 -1.1(3) .
> CIF C1 C21 C26 C25 178.32(17) .
> CIF O1 C1 N1 Al1 -4.4(3) .
> CIF C21 C1 N1 Al1 178.16(13) .
> CIF O1 Al1 N1 C1 -30.3(2) 3_655
> CIF C3 Al1 N1 C1 86.79(19) .
> CIF C4 Al1 N1 C1 -143.33(18) .
> CIF O1 Al1 C3 C33 -69.24(16) 3_655
> CIF N1 Al1 C3 C33 175.58(15) .
> CIF C4 Al1 C3 C33 57.57(18) .
> CIF O1 Al1 C3 C32 169.85(13) 3_655
> CIF N1 Al1 C3 C32 54.68(15) .
> CIF C4 Al1 C3 C32 -63.33(16) .
> CIF O1 Al1 C3 C31 51.67(17) 3_655
> CIF N1 Al1 C3 C31 -63.51(17) .
> CIF C4 Al1 C3 C31 178.48(15) .
> CIF O1 Al1 C4 C43 57.9(9) 3_655
> CIF N1 Al1 C4 C43 170.1(9) .
> CIF C3 Al1 C4 C43 -69.7(9) .
> CIF O1 Al1 C4 C4B -27.9(4) 3_655
> CIF N1 Al1 C4 C4B 84.3(4) .
> CIF C3 Al1 C4 C4B -155.6(4) .
> CIF O1 Al1 C4 C4A -158.2(5) 3_655
> CIF N1 Al1 C4 C4A -46.0(5) .
> CIF C3 Al1 C4 C4A 74.1(5) .
> CIF O1 Al1 C4 C41 -172.1(6) 3_655
> CIF N1 Al1 C4 C41 -59.9(6) .
> CIF C3 Al1 C4 C41 60.3(6) .
> CIF O1 Al1 C4 C4C 86.6(3) 3_655
> CIF N1 Al1 C4 C4C -161.1(3) .
> CIF C3 Al1 C4 C4C -41.0(3) .
> CIF O1 Al1 C4 C42 -61.1(5) 3_655
> CIF N1 Al1 C4 C42 51.2(5) .
> CIF C3 Al1 C4 C42 171.3(5) .
tests/cases/cod_predeposition_check_020.opt: FAILED:
1,353c1,126
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/1YGG.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/1YGG.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: NOTE, non-ascii symbols encountered in the text.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, data name '_atom_site_uiso_or_equiv' is not recognised.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, the data block does not contain symmetry operators.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, no unit cell information found -- cannot compute cell volume.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, recommended data item '_chemical_formula_sum' was not found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, _journal_name_full is undefined.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, _publ_section_title is undefined.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, neither _journal_year nor _journal_volume is defined.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, neither _journal_page_first nor _journal_article_reference is defined.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, no symmetry information found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, the space group symmetry operation list was not provided.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, no space group symbol to check cell constraints.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp: NOTE, 8 WARNING(s) encountered.
< scripts/cod_predeposition_check: cif_cod_check encountered 8 warning(s).
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/cases.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/cases.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z.inp data_ctrl_z: NOTE, DOS EOF symbol ^Z was encountered and ignored.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z.inp data_ctrl_z: NOTE, DOS EOF symbol ^Z was encountered and ignored.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z.inp data_ctrl_z: NOTE, DOS EOF symbol ^Z was encountered and ignored.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z.inp: NOTE, 3 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z-inside-textfield.inp data_ctrl_z: NOTE, non-ascii symbols encountered in the text field -- replaced with XML entities.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z-inside-textfield.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z-inside-textfield.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z-inside-textfield.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_block_01.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_block_01.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_01.inp(3,17) data_block: ERROR, incorrect CIF syntax.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_01.inp: ERROR, compiler could not recover from errors, quitting now -- 1 error(s) detected.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_01.inp: ERROR, 2 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_01.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_02.inp(10) data_block4: WARNING, zero-length data block name detected -- ignored.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_02.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_02.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_02.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_03.inp(6) data_some_great_block#comment_and_here_we_assume,_that: WARNING, the dataname apparently had spaces in it -- replaced spaces with underscores.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_03.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_03.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_03.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_04.inp(2) data_block: WARNING, zero-length data block name detected -- ignored.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_04.inp(3,17) data_block: ERROR, incorrect CIF syntax.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_04.inp: ERROR, compiler could not recover from errors, quitting now -- 1 error(s) detected.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_04.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_04.inp: ERROR, 2 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_04.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/dollar.inp(2,6) data_dollar: ERROR, dollar symbol ('$') must not start an unquoted string.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/dollar.inp: ERROR, 1 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/dollar.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_01.inp(3) data_duplicate_tags_01: ERROR, tag _tag1 appears more than once.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_01.inp: ERROR, 1 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_01.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_02.inp(3) data_duplicate_tags_01: ERROR, tag _tag1 appears more than once.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_02.inp(4) data_duplicate_tags_01: ERROR, tag _tag1 appears more than once.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_02.inp(5) data_duplicate_tags_01: ERROR, tag _tag1 appears more than once.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_02.inp(6) data_duplicate_tags_01: ERROR, tag _tag1 appears more than once.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_02.inp(7) data_duplicate_tags_01: ERROR, tag _tag1 appears more than once.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_02.inp: ERROR, 5 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_02.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate-tags.inp(22) data_duplicate: WARNING, tag _chemical_formula_weight appears more than once with the same value '2604.88'.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate-tags.inp(3) data_duplicate: ERROR, tag _same_line appears more than once.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate-tags.inp(6) data_duplicate: ERROR, tag _different_lines appears more than once.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate-tags.inp(13) data_duplicate: ERROR, tag _separated_by_spaces appears more than once.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate-tags.inp(19) data_duplicate: ERROR, tag _inloop_tag appears more than once.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate-tags.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate-tags.inp: ERROR, 4 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate-tags.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/empty_data_01.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/empty_data_01.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/entities.inp data_entities: NOTE, non-ascii symbols encountered in the text field -- replaced with XML entities.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/entities.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/entities.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/entities.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/entity-in-tag-name.inp: NOTE, non-ascii symbols encountered in the text.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/entity-in-tag-name.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/entity-in-tag-name.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/entity-in-tag-name.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_comment_01.inp(1): WARNING, stray CIF values at the beginning of the input file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_comment_01.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_comment_01.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_float_01.inp(1): WARNING, stray CIF values at the beginning of the input file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_float_01.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_float_01.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_float_02.inp(1): WARNING, stray CIF values at the beginning of the input file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_float_02.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_float_02.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_float_03.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_float_03.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_loop_01.inp(9,9) data_wrong_loop: ERROR, wrong number of elements in the loop starting at line 3.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_loop_01.inp: ERROR, 1 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_loop_01.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_missed_tag_01.inp data_loctag: NOTE, string with spaces without quotes -- fixed.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_missed_tag_01.inp data_loctag: NOTE, string with spaces without quotes -- fixed.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_missed_tag_01.inp data_loctag: NOTE, string with spaces without quotes -- fixed.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_missed_tag_01.inp: NOTE, 3 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_missed_tag_01.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_missed_tag_01.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_01.inp(1): WARNING, stray CIF values at the beginning of the input file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_01.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_01.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_02.inp(1): WARNING, stray CIF values at the beginning of the input file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_02.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_02.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_03.inp(1): WARNING, stray CIF values at the beginning of the input file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_03.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_03.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_04.inp(1): WARNING, stray CIF values at the beginning of the input file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_04.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_04.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_01.inp(1): WARNING, stray CIF values at the beginning of the input file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_01.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_01.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_02.inp(1): WARNING, stray CIF values at the beginning of the input file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_02.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_02.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_03.inp data_t132: NOTE, string with spaces without quotes -- fixed.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_03.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_03.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_03.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_textfield_01.inp(1): WARNING, stray CIF values at the beginning of the input file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_textfield_01.inp: ERROR, end of file encountered while in text field starting in line 9, possible runaway closing semicolon (';').
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_textfield_01.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_textfield_01.inp: ERROR, 1 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_textfield_01.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_wspace_01.inp(1): WARNING, stray CIF values at the beginning of the input file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_wspace_01.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_wspace_01.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/extra-values.inp data_extra: NOTE, string with spaces without quotes -- fixed.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/extra-values.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/extra-values.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/extra-values.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/file_wo_wspaces.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/file_wo_wspaces.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/float_mis-increase_lexer_position.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/float_mis-increase_lexer_position.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/folded_title.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/folded_title.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/folding.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/folding.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_01.inp(2,1): ERROR, GLOBAL_ symbol detected -- it is not acceptable in CIF v1.1.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_01.inp: ERROR, 1 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_01.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_02.inp(2) data_asoads_global_somedasa: WARNING, the dataname apparently had spaces in it -- replaced spaces with underscores.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_02.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_02.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_02.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_03.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_03.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless_data.inp: NOTE, no data block heading (i.e. data_somecif) found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless_data.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless_data.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless_data.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless.inp: NOTE, no data block heading (i.e. data_somecif) found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless-unquoted-string.inp: NOTE, string with spaces without quotes -- fixed.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless-unquoted-string.inp: NOTE, no data block heading (i.e. data_somecif) found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless-unquoted-string.inp: NOTE, 2 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless-unquoted-string.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless-unquoted-string.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/line-number-test.inp(15) data_line_number: ERROR, tag _duplicate appears more than once.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/line-number-test.inp: ERROR, 1 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/line-number-test.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_01.inp data_loctag: NOTE, string with spaces without quotes -- fixed.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_01.inp data_loctag: NOTE, string with spaces without quotes -- fixed.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_01.inp data_loctag: NOTE, string with spaces without quotes -- fixed.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_01.inp: NOTE, 3 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_01.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_01.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_02.inp data_loctag: NOTE, string with spaces without quotes -- fixed.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_02.inp data_loctag: NOTE, string with spaces without quotes -- fixed.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_02.inp data_loctag: NOTE, string with spaces without quotes -- fixed.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_02.inp: NOTE, 3 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_02.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_02.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_01.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_01.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_dquoted_01.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_dquoted_01.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_misparsing.inp data_floatlexer: NOTE, string with spaces without quotes -- fixed.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_misparsing.inp(9,22) data_floatlexer: ERROR, incorrect CIF syntax.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_misparsing.inp: ERROR, compiler could not recover from errors, quitting now -- 1 error(s) detected.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_misparsing.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_misparsing.inp: ERROR, 2 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_misparsing.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_squoted_01.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_squoted_01.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_unquoted_01.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_unquoted_01.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/missing-entity-quote.inp data_entities: NOTE, non-ascii symbols encountered in the text.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/missing-entity-quote.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/missing-entity-quote.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/missing-entity-quote.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multi-empty-lines.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multi-empty-lines.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multi-non-ascii.inp: NOTE, non-ascii symbols encountered in the text.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multi-non-ascii.inp data_multi: NOTE, non-ascii symbols encountered in the text.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multi-non-ascii.inp: NOTE, 2 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multi-non-ascii.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multi-non-ascii.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multitag.inp(3) data_multitag: ERROR, tag _tag appears more than once.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multitag.inp(4) data_multitag: ERROR, tag _tag appears more than once.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multitag.inp: ERROR, 2 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multitag.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/newline.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/newline.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii-comment.inp(2,19): NOTE, unallowed symbol in CIF comment was encountered and ignored.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii-comment.inp(3,31): NOTE, unallowed symbol in CIF comment was encountered and ignored.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii-comment.inp: NOTE, 2 NOTE(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii-comment.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii-comment.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp data_non_ascii: NOTE, non-ascii symbols encountered in the text.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp data_non_ascii: WARNING, the data block does not contain symmetry operators.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp data_non_ascii: WARNING, no unit cell information found -- cannot compute cell volume.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp data_non_ascii: WARNING, recommended data item '_chemical_formula_sum' was not found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp data_non_ascii: WARNING, _journal_name_full is undefined.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp data_non_ascii: WARNING, _publ_section_title is undefined.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp data_non_ascii: WARNING, neither _journal_year nor _journal_volume is defined.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp data_non_ascii: WARNING, neither _journal_page_first nor _journal_article_reference is defined.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp data_non_ascii: WARNING, no symmetry information found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp data_non_ascii: WARNING, the space group symmetry operation list was not provided.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp data_non_ascii: WARNING, no space group symbol to check cell constraints.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp: NOTE, 8 WARNING(s) encountered.
< scripts/cod_predeposition_check: cif_cod_check encountered 8 warning(s).
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii-values.inp data_non_ascii: NOTE, non-ascii symbols encountered in the text.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii-values.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii-values.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii-values.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/precision_01.inp(1): WARNING, stray CIF values at the beginning of the input file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/precision_01.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/precision_01.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/precision_02.inp(1): WARNING, stray CIF values at the beginning of the input file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/precision_02.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/precision_02.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/reserved_tags_01.inp data_seasea: NOTE, string with spaces without quotes -- fixed.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/reserved_tags_01.inp(2,1): ERROR, GLOBAL_ symbol detected -- it is not acceptable in CIF v1.1.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/reserved_tags_01.inp(3,14) data_seasea: ERROR, GLOBAL_ symbol detected -- it is not acceptable in CIF v1.1.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/reserved_tags_01.inp(5,1) data_seasea: ERROR, incorrect CIF syntax.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/reserved_tags_01.inp: ERROR, compiler could not recover from errors, quitting now -- 3 error(s) detected.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/reserved_tags_01.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/reserved_tags_01.inp: ERROR, 4 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/reserved_tags_01.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/sameline.inp(3) data_sameline: ERROR, tag _tag appears more than once.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/sameline.inp: ERROR, 1 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/sameline.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/save_block_01.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/save_block_01.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/save_block_02.inp(15,1) data_loctag: ERROR, incorrect CIF syntax.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/save_block_02.inp: ERROR, compiler could not recover from errors, quitting now -- 1 error(s) detected.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/save_block_02.inp: ERROR, 2 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/save_block_02.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/shift-precision.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/shift-precision.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-in-dataname.inp(1) data_more_than_one: WARNING, the dataname apparently had spaces in it -- replaced spaces with underscores.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-in-dataname.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-in-dataname.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-in-dataname.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp(1) data_spaces_without_quotes: WARNING, the dataname apparently had spaces in it -- replaced spaces with underscores.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp data_spaces_without_quotes: NOTE, string with spaces without quotes -- fixed.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp data_spaces_without_quotes: NOTE, single-quoted string is missing a closing quote -- fixed.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp data_spaces_without_quotes: NOTE, double-quoted string is missing a closing quote -- fixed.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp data_spaces_without_quotes: NOTE, string with spaces without quotes -- fixed.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp data_spaces_without_quotes: NOTE, string with spaces without quotes -- fixed.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp data_spaces_without_quotes: NOTE, string with spaces without quotes -- fixed.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp: NOTE, 7 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/sqbr-entities.inp data_entities: NOTE, non-ascii symbols encountered in the text.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/sqbr-entities.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/sqbr-entities.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/sqbr-entities.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_01.inp(2,1): ERROR, STOP_ symbol detected -- it is not acceptable in CIF v1.1.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_01.inp: ERROR, 1 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_01.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_02.inp(2) data_asoads_stop_somedasa: WARNING, the dataname apparently had spaces in it -- replaced spaces with underscores.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_02.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_02.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_02.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_03.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_03.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/strange-multiline.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/strange-multiline.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stray.inp(1): WARNING, stray CIF values at the beginning of the input file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stray.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stray.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stray.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tag_01.inp: NOTE, no data block heading (i.e. data_somecif) found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tag_01.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tag_01.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tag_01.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_cif_01.inp data_loctag: NOTE, string with spaces without quotes -- fixed.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_cif_01.inp data_loctag: NOTE, string with spaces without quotes -- fixed.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_cif_01.inp: NOTE, 2 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_cif_01.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_cif_01.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_numbers_01.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_numbers_01.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_sqbrack_01.inp data_loctag: NOTE, string with spaces without quotes -- fixed.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_sqbrack_01.inp data_loctag: NOTE, string with spaces without quotes -- fixed.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_sqbrack_01.inp: NOTE, 2 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_sqbrack_01.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_sqbrack_01.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_wspace_lines_01.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_wspace_lines_01.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_01.inp(1): WARNING, stray CIF values at the beginning of the input file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_01.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_01.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_02.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_03.inp(1): WARNING, stray CIF values at the beginning of the input file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_03.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_03.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_04.inp(1): WARNING, stray CIF values at the beginning of the input file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_04.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_04.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unclosed-quote.inp data_unclosed: NOTE, double-quoted string is missing a closing quote -- fixed.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unclosed-quote.inp data_unclosed: NOTE, single-quoted string is missing a closing quote -- fixed.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unclosed-quote.inp data_unclosed: NOTE, single-quoted string is missing a closing quote -- fixed.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unclosed-quote.inp data_unclosed: NOTE, string with spaces without quotes -- fixed.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unclosed-quote.inp: NOTE, 4 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unclosed-quote.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unclosed-quote.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unfolded_title.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unfolded_title.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unfolding.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unfolding.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unprefix-test.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unprefix-test.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unquoted_str_01.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unquoted_str_01.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unquoted_str_02.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unquoted_str_02.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/weird-newlines.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/weird-newlines.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/weird-unclosed-quote.inp(2,19): NOTE, unallowed symbol in CIF comment was encountered and ignored.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/weird-unclosed-quote.inp data_(5): NOTE, single-quoted string is missing a closing quote -- fixed.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/weird-unclosed-quote.inp: NOTE, 1 NOTE(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/weird-unclosed-quote.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/weird-unclosed-quote.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/weird-unclosed-quote.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/whitespace_02.inp(1): WARNING, stray CIF values at the beginning of the input file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/whitespace_02.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/whitespace_02.inp: ERROR, file became empty after filtering with cif_filter.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/without-quotes.inp data_no_quotes: NOTE, string with spaces without quotes -- fixed.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/without-quotes.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/without-quotes.inp: WARNING, no data blocks that contain coordinates found.
< scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/without-quotes.inp: ERROR, file became empty after filtering with cif_filter.
---
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/1YGG.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/1YGG.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp(12,1) data_9003354: WARNING, non-ascii symbols encountered in the text:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, data name '_atom_site_uiso_or_equiv' is not recognised.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, the data block does not contain symmetry operators.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, no unit cell information found -- cannot compute cell volume.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, summary formula could not be calculated -- cell length data item '_cell_length_a' not present.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, unit cell summary formula could not be calculated -- cell length data item '_cell_length_a' not present.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, data item '_chemical_formula_sum' is absent.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, data item '_publ_section_title' is absent.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, no space group information found.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, no Hall space group symbol found.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, at least one of the lattice parameters has an undefined value -- cell volume could not be calculated.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, summary formula could not be calculated -- cell length data item '_cell_length_a' not present.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, unit cell summary formula could not be calculated -- cell length data item '_cell_length_a' not present.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/cases.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/cases.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z.inp(8) data_ctrl_z: WARNING, DOS EOF symbol ^Z was encountered and ignored.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z.inp(8) data_ctrl_z: WARNING, DOS EOF symbol ^Z was encountered and ignored.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z.inp(8) data_ctrl_z: WARNING, DOS EOF symbol ^Z was encountered and ignored.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z-inside-textfield.inp(12) data_ctrl_z: WARNING, non-ascii symbols encountered in the text field -- replaced with XML entities:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z-inside-textfield.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z-inside-textfield.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_block_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_block_01.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_01.inp(3,17) data_block: ERROR, incorrect CIF syntax:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_01.inp: ERROR, compiler could not recover from errors, quitting now -- 1 error(s) detected.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_01.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_02.inp(10) data_block4: WARNING, zero-length data block name detected -- ignored.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_02.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_02.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_03.inp(6) data_some_great_block#comment_and_here_we_assume,_that: WARNING, the dataname apparently had spaces in it -- replaced spaces with underscores.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_03.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_03.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_04.inp(2) data_block: WARNING, zero-length data block name detected -- ignored.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_04.inp(3,17) data_block: ERROR, incorrect CIF syntax:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_04.inp: ERROR, compiler could not recover from errors, quitting now -- 1 error(s) detected.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_04.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_04.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/dollar.inp(2,6) data_dollar: ERROR, dollar symbol ('$') must not start an unquoted string:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/dollar.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/dollar.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_01.inp(3) data_duplicate_tags_01: ERROR, tag _tag1 appears more than once.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_01.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_02.inp(3) data_duplicate_tags_01: ERROR, tag _tag1 appears more than once.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_02.inp(4) data_duplicate_tags_01: ERROR, tag _tag1 appears more than once.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_02.inp(5) data_duplicate_tags_01: ERROR, tag _tag1 appears more than once.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_02.inp(6) data_duplicate_tags_01: ERROR, tag _tag1 appears more than once.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_02.inp(7) data_duplicate_tags_01: ERROR, tag _tag1 appears more than once.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_02.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_02.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate-tags.inp(22) data_duplicate: WARNING, tag _chemical_formula_weight appears more than once with the same value '2604.88'.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate-tags.inp(3) data_duplicate: ERROR, tag _same_line appears more than once.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate-tags.inp(6) data_duplicate: ERROR, tag _different_lines appears more than once.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate-tags.inp(13) data_duplicate: ERROR, tag _separated_by_spaces appears more than once.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate-tags.inp(19) data_duplicate: ERROR, tag _inloop_tag appears more than once.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate-tags.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate-tags.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/empty_data_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/empty_data_01.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/entities.inp(5) data_entities: WARNING, non-ascii symbols encountered in the text field -- replaced with XML entities:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/entities.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/entities.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/entity-in-tag-name.inp(2,1): WARNING, non-ascii symbols encountered in the text:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/entity-in-tag-name.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/entity-in-tag-name.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_comment_01.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_comment_01.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_comment_01.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_float_01.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_float_01.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_float_01.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_float_02.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_float_02.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_float_02.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_float_03.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_float_03.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_loop_01.inp(9,9) data_wrong_loop: ERROR, wrong number of elements in the loop starting at line 3:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_loop_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_loop_01.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_missed_tag_01.inp(5) data_loctag: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_missed_tag_01.inp(6) data_loctag: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_missed_tag_01.inp(8) data_loctag: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_missed_tag_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_missed_tag_01.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_01.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_01.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_01.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_02.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_02.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_02.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_03.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_03.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_03.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_04.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_04.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_04.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_01.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_01.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_01.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_02.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_02.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_02.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_03.inp(3) data_t132: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_03.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_03.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_textfield_01.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_textfield_01.inp(9): ERROR, end of file encountered while in text field starting in line 9, possible runaway closing semicolon (';').scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_textfield_01.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_textfield_01.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_wspace_01.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_wspace_01.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_wspace_01.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/extra-values.inp(3) data_extra: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/extra-values.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/extra-values.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/file_wo_wspaces.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/file_wo_wspaces.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/float_mis-increase_lexer_position.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/float_mis-increase_lexer_position.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/folded_title.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/folded_title.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/folding.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/folding.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_01.inp(2,1): ERROR, GLOBAL_ symbol detected -- it is not acceptable in CIF v1.1:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_01.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_02.inp(2) data_asoads_global_somedasa: WARNING, the dataname apparently had spaces in it -- replaced spaces with underscores.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_02.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_02.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_03.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_03.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless_data.inp(1): WARNING, no data block heading (i.e. data_somecif) found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless_data.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless_data.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless.inp(1): WARNING, no data block heading (i.e. data_somecif) found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless-unquoted-string.inp(1): WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless-unquoted-string.inp(1): WARNING, no data block heading (i.e. data_somecif) found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless-unquoted-string.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless-unquoted-string.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/line-number-test.inp(15) data_line_number: ERROR, tag _duplicate appears more than once.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/line-number-test.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/line-number-test.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_01.inp(3) data_loctag: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_01.inp(4) data_loctag: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_01.inp(5) data_loctag: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_01.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_02.inp(3) data_loctag: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_02.inp(4) data_loctag: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_02.inp(5) data_loctag: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_02.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_02.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_01.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_dquoted_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_dquoted_01.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_misparsing.inp(8) data_floatlexer: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_misparsing.inp(9,22) data_floatlexer: ERROR, incorrect CIF syntax:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_misparsing.inp: ERROR, compiler could not recover from errors, quitting now -- 1 error(s) detected.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_misparsing.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_misparsing.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_squoted_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_squoted_01.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_unquoted_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_unquoted_01.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/missing-entity-quote.inp(3,1) data_entities: WARNING, non-ascii symbols encountered in the text:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/missing-entity-quote.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/missing-entity-quote.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multi-empty-lines.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multi-empty-lines.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multi-non-ascii.inp(2,1): WARNING, non-ascii symbols encountered in the text:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multi-non-ascii.inp(2,8) data_multi: WARNING, non-ascii symbols encountered in the text:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multi-non-ascii.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multi-non-ascii.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multitag.inp(3) data_multitag: ERROR, tag _tag appears more than once.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multitag.inp(4) data_multitag: ERROR, tag _tag appears more than once.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multitag.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multitag.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/newline.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/newline.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii-comment.inp(2,19): NOTE, unallowed symbol in CIF comment was encountered and ignored.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii-comment.inp(3,31): NOTE, unallowed symbol in CIF comment was encountered and ignored.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii-comment.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii-comment.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp(5,1) data_non_ascii: WARNING, non-ascii symbols encountered in the text:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp data_non_ascii: WARNING, the data block does not contain symmetry operators.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp data_non_ascii: WARNING, no unit cell information found -- cannot compute cell volume.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp data_non_ascii: WARNING, summary formula could not be calculated -- cell length data item '_cell_length_a' not present.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp data_non_ascii: WARNING, unit cell summary formula could not be calculated -- cell length data item '_cell_length_a' not present.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp data_non_ascii: WARNING, data block does not contain fractional coordinates.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii-values.inp(2,6) data_non_ascii: WARNING, non-ascii symbols encountered in the text:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii-values.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii-values.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/precision_01.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/precision_01.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/precision_01.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/precision_02.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/precision_02.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/precision_02.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/reserved_tags_01.inp(4) data_seasea: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/reserved_tags_01.inp(2,1): ERROR, GLOBAL_ symbol detected -- it is not acceptable in CIF v1.1:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/reserved_tags_01.inp(3,14) data_seasea: ERROR, GLOBAL_ symbol detected -- it is not acceptable in CIF v1.1:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/reserved_tags_01.inp(5,1) data_seasea: ERROR, incorrect CIF syntax:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/reserved_tags_01.inp: ERROR, compiler could not recover from errors, quitting now -- 3 error(s) detected.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/reserved_tags_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/reserved_tags_01.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/sameline.inp(3) data_sameline: ERROR, tag _tag appears more than once.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/sameline.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/sameline.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/save_block_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/save_block_01.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/save_block_02.inp(15,1) data_loctag: ERROR, incorrect CIF syntax:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/save_block_02.inp: ERROR, compiler could not recover from errors, quitting now -- 1 error(s) detected.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/save_block_02.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/save_block_02.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/shift-precision.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/shift-precision.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-in-dataname.inp(1) data_more_than_one: WARNING, the dataname apparently had spaces in it -- replaced spaces with underscores.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-in-dataname.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-in-dataname.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp(1) data_spaces_without_quotes: WARNING, the dataname apparently had spaces in it -- replaced spaces with underscores.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp(2) data_spaces_without_quotes: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp(3) data_spaces_without_quotes: WARNING, single-quoted string is missing a closing quote -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp(4) data_spaces_without_quotes: WARNING, double-quoted string is missing a closing quote -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp(6) data_spaces_without_quotes: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp(9) data_spaces_without_quotes: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp(12) data_spaces_without_quotes: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/sqbr-entities.inp(2,27) data_entities: WARNING, non-ascii symbols encountered in the text:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/sqbr-entities.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/sqbr-entities.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_01.inp(2,1): ERROR, STOP_ symbol detected -- it is not acceptable in CIF v1.1:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_01.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_02.inp(2) data_asoads_stop_somedasa: WARNING, the dataname apparently had spaces in it -- replaced spaces with underscores.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_02.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_02.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_03.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_03.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/strange-multiline.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/strange-multiline.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stray.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stray.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stray.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tag_01.inp(1): WARNING, no data block heading (i.e. data_somecif) found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tag_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tag_01.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_cif_01.inp(4) data_loctag: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_cif_01.inp(5) data_loctag: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_cif_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_cif_01.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_numbers_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_numbers_01.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_sqbrack_01.inp(6) data_loctag: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_sqbrack_01.inp(7) data_loctag: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_sqbrack_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_sqbrack_01.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_wspace_lines_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_wspace_lines_01.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_01.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_01.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_01.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_02.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_02.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_03.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_03.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_03.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_04.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_04.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_04.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unclosed-quote.inp(3) data_unclosed: WARNING, double-quoted string is missing a closing quote -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unclosed-quote.inp(4) data_unclosed: WARNING, single-quoted string is missing a closing quote -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unclosed-quote.inp(6) data_unclosed: WARNING, single-quoted string is missing a closing quote -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unclosed-quote.inp(7) data_unclosed: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unclosed-quote.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unclosed-quote.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unfolded_title.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unfolded_title.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unfolding.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unfolding.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unprefix-test.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unprefix-test.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unquoted_str_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unquoted_str_01.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unquoted_str_02.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unquoted_str_02.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/weird-newlines.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/weird-newlines.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/weird-unclosed-quote.inp(2,19): NOTE, unallowed symbol in CIF comment was encountered and ignored.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/weird-unclosed-quote.inp(12) data_(5): WARNING, single-quoted string is missing a closing quote -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/weird-unclosed-quote.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/weird-unclosed-quote.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/whitespace_02.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/whitespace_02.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/whitespace_02.inp: ERROR, file became empty after filtering with cif_filter.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/without-quotes.inp(2) data_no_quotes: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/without-quotes.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/without-quotes.inp: ERROR, file became empty after filtering with cif_filter.
> CIF data_9003354
> CIF _cod_data_source_file            9003354-unexprected-loop-end.inp
> CIF _cod_data_source_block           9003354
> CIF loop_
> CIF _atom_site_label
> CIF _atom_site_fract_x
> CIF _atom_site_fract_y
> CIF _atom_site_fract_z
> CIF _atom_site_occupancy
> CIF _atom_site_uiso_or_equiv
> CIF SiT1 0.30126 0.07249 0.04190 0.81400 0.01494
> CIF SiT1* -0.30126 -0.07249 -0.04190 0.81400 0.01494
> CIF SiT2 0.30343 0.30905 0.04570 0.81400 0.01672
> CIF SiT2&#x00B4; -0.30343 -0.30905 -0.04570 0.81400 0.01672
> CIF SiT3 0.08719 0.38323 0.25000 0.81400 0.01355
> CIF data_non_ascii
> CIF _cod_data_source_file            non-ascii.inp
> CIF _cod_data_source_block           non_ascii
> CIF loop_
> CIF _atom_site_label
> CIF SiT1*
> CIF SiT2&#x00C2;&#x00B4;
tests/cases/cod_predeposition_check_021.opt: FAILED:
2,11d1
< scripts/cod_predeposition_check: tests/inputs/1000000-fake-on-hold.cif data_C5H17AlN2O8P2: NOTE, '_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic' according to the built-in table from CIF Core dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.
< scripts/cod_predeposition_check: tests/inputs/1000000-fake-on-hold.cif data_C5H17AlN2O8P2: NOTE, '_exptl_crystal_density_meas' value 'not measured' was changed to '?' - the value is perceived as not measured.
< scripts/cod_predeposition_check: tests/inputs/1000000-fake-on-hold.cif data_C5H17AlN2O8P2: NOTE, '_refine_ls_weighting_scheme' value 'calc w=1/[\s^2^(Fo^2^)+(0.0573P)^2^+3.0698P] where P=(Fo^2^+2Fc^2^)/3' was changed to 'calc'. A new data item '_refine_ls_weighting_details' was created with the value set to 'w=1/[\s^2^(Fo^2^)+(0.0573P)^2^+3.0698P] where P=(Fo^2^+2Fc^2^)/3'.
< scripts/cod_predeposition_check: tests/inputs/1000000-fake-on-hold.cif data_C5H17AlN2O8P2: NOTE, name 'S. PHAN THANH' seems unusual.
< scripts/cod_predeposition_check: tests/inputs/1000000-fake-on-hold.cif data_C5H17AlN2O8P2: NOTE, names should be written as 'First von Last', 'von Last, First', or 'von Last, Jr, First' (mind the case!).
< scripts/cod_predeposition_check: tests/inputs/1000000-fake-on-hold.cif data_C5H17AlN2O8P2: NOTE, name 'J. MARROT' seems unusual.
< scripts/cod_predeposition_check: tests/inputs/1000000-fake-on-hold.cif data_C5H17AlN2O8P2: NOTE, name 'J. RENAUDIN' seems unusual.
< scripts/cod_predeposition_check: tests/inputs/1000000-fake-on-hold.cif data_C5H17AlN2O8P2: NOTE, name 'V. MAISONNEUVE' seems unusual.
< scripts/cod_predeposition_check: tests/inputs/1000000-fake-on-hold.cif: NOTE, 5 NOTE(s) encountered.
< scripts/cod_predeposition_check: tests/inputs/1000000-fake-on-hold.cif: NOTE, 3 WARNING(s) encountered.
tests/cases/cod_predeposition_check_022.opt: FAILED:
1d0
< scripts/cod_predeposition_check: tests/inputs/Burford.cif: NOTE, 16 WARNING(s) encountered.
tests/cases/cod_predeposition_check_023.opt: FAILED:
2,12c2,3
< scripts/cod_predeposition_check: tests/inputs/2000373-merge-limits.cif data_2000373: WARNING, the data block does not contain symmetry operators.
< scripts/cod_predeposition_check: tests/inputs/2000373-merge-limits.cif data_2000373: NOTE, '_refine_ls_weighting_scheme' value '2.90/[\s~2~(F)+0.001(F)~2~]' was changed to 'calc'. A new data item '_refine_ls_weighting_details' was created with the value set to 'w = 2.90/[\s~2~(F)+0.001(F)~2~]'.
< scripts/cod_predeposition_check: tests/inputs/2000373-merge-limits.cif data_2000373: WARNING, the space group symmetry operation list was not provided.
< scripts/cod_predeposition_check: tests/inputs/2000373-merge-limits.cif data_2000373: NOTE, data item '_refine_ls_R_factor_obs' value '0.15' is > 0.1.
< scripts/cod_predeposition_check: tests/inputs/2000373-merge-limits.cif data_2000373: WARNING, data item '_refine_ls_goodness_of_fit_obs' value '5.05' lies outside the range [0.6, 4].
< scripts/cod_predeposition_check: tests/inputs/2000373-merge-limits.cif data_2000373: ERROR, data item '_refine_ls_shift/esd_max' value '0.57' is > 0.2.
< scripts/cod_predeposition_check: tests/inputs/2000373-merge-limits.cif data_2000373: WARNING, data item '_refine_ls_wR_factor_obs' value '0.36' is > 0.35.
< scripts/cod_predeposition_check: tests/inputs/2000373-merge-limits.cif: NOTE, 1 NOTE(s) encountered.
< scripts/cod_predeposition_check: tests/inputs/2000373-merge-limits.cif: NOTE, 3 WARNING(s) encountered.
< scripts/cod_predeposition_check: tests/inputs/2000373-merge-limits.cif: ERROR, 1 ERROR(s) encountered -- die on ERROR(s) requested.
< scripts/cod_predeposition_check: cif_cod_check encountered 5 warning(s).
---
> scripts/cod_predeposition_check: tests/inputs/2000373-merge-limits.cif data_2000373: WARNING, the data block does not contain symmetry operators.Use of uninitialized value in concatenation (.) or string at /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/CIF/Data/CODPredepositionCheck.pm line 1380.
> scripts/cod_predeposition_check: tests/inputs/2000373-merge-limits.cif data_2000373: WARNING, submitting author '' does not match any author in the data block author list ('Dapporto, P.', 'Paoli, P.', 'Sega, A.') -- will not deposit the structure, the prepublication structures and personal communications must be deposited by one of the authors.
tests/cases/cod_predeposition_check_024.opt: FAILED:
1,4c1,66
< scripts/cod_predeposition_check: tests/inputs/04530.cif data_global: WARNING, data name '_chemical_name' is not recognised.
< scripts/cod_predeposition_check: tests/inputs/04530.cif data_global: WARNING, structure is published after 1969, but does not contain temperature factors.
< scripts/cod_predeposition_check: tests/inputs/04530.cif: NOTE, 1 WARNING(s) encountered.
< scripts/cod_predeposition_check: cif_cod_check encountered 1 warning(s).
---
> scripts/cod_predeposition_check: tests/inputs/04530.cif data_global: WARNING, data name '_chemical_name' is not recognised.scripts/cod_predeposition_check: tests/inputs/04530.cif data_global: WARNING, the _cell_formula_units_Z data item is missing -- the Z value will be estimated.
> scripts/cod_predeposition_check: tests/inputs/04530.cif data_global: WARNING, not enough data to estimate Z; crystal density undefined; molecular weight undefined -- assuming Z = 1.
> scripts/cod_predeposition_check: tests/inputs/04530.cif data_global: WARNING, the _cell_formula_units_Z data item is missing -- the Z value will be estimated.
> scripts/cod_predeposition_check: tests/inputs/04530.cif data_global: WARNING, not enough data to estimate Z; crystal density undefined; molecular weight undefined -- assuming Z = 1.
> CIF data_global
> CIF loop_
> CIF _publ_author_name
> CIF 'Tschauner O'
> CIF 'Kiefer B'
> CIF 'Liu H'
> CIF 'Sinogeikin S'
> CIF 'Somayazulu M'
> CIF 'Luo S-N'
> CIF _publ_section_title
> CIF ;
> CIF  Possible structural polymorphism in Al-bearing magnesiumsilicate
> CIF  post-perovskite Sample: 3X1
> CIF ;
> CIF _journal_name_full               'American Mineralogist'
> CIF _journal_page_first              533
> CIF _journal_page_last               539
> CIF _journal_volume                  93
> CIF _journal_year                    <year>
> CIF _chemical_formula_sum            'Mg O3 Si'
> CIF _space_group_IT_number           11
> CIF _symmetry_space_group_name_Hall  '-P 2yb'
> CIF _symmetry_space_group_name_H-M   'P 1 21/m 1'
> CIF _cell_angle_alpha                90
> CIF _cell_angle_beta                 98.75
> CIF _cell_angle_gamma                90
> CIF _cell_length_a                   9.477
> CIF _cell_length_b                   6.205
> CIF _cell_length_c                   4.256
> CIF _cell_volume                     247.360
> CIF _cod_data_source_file            04530.cif
> CIF _cod_data_source_block           global
> CIF _cod_original_formula_sum        'Mg Si O3'
> CIF #BEGIN Tags that were not found in dictionaries:
> CIF _chemical_name                   MgSiO3
> CIF #END Tags that were not found in dictionaries
> CIF loop_
> CIF _symmetry_equiv_pos_as_xyz
> CIF x,y,z
> CIF x,1/2-y,z
> CIF -x,1/2+y,-z
> CIF -x,-y,-z
> CIF loop_
> CIF _atom_site_label
> CIF _atom_site_fract_x
> CIF _atom_site_fract_y
> CIF _atom_site_fract_z
> CIF Mg1 0.04200 0.25000 0.51400
> CIF Mg2 0.30300 0.25000 0.07300
> CIF Mg3 0.55900 0.25000 0.98900
> CIF Mg4 0.79900 0.25000 0.89500
> CIF Si1 0.00000 0.00000 0.00000
> CIF Si2 0.50000 0.00000 0.50000
> CIF Si3 0.24700 0.50100 0.58300
> CIF O1 0.98500 0.25000 0.11100
> CIF O2 0.23000 0.25000 0.45500
> CIF O3 0.48000 0.25000 0.36800
> CIF O4 0.73520 0.25000 0.28700
> CIF O5 0.84500 0.55900 0.12500
> CIF O6 0.90600 0.44300 0.64700
> CIF O7 0.34300 0.55600 0.28300
> CIF O8 0.40700 0.44400 0.80100
tests/cases/cod_predeposition_check_025.opt: OK
tests/cases/cod_predeposition_check_026.opt: OK
tests/cases/cod_predeposition_check_027.opt: FAILED:
1,2d0
< scripts/cod_predeposition_check: tests/inputs/8100760-Fake-on-hold.cif data_8100760: NOTE, '_chemical_melting_point' value '104\/oC' was changed to '377.15' - it was converted from degrees Celsius(C) to Kelvins(K).
< scripts/cod_predeposition_check: tests/inputs/8100760-Fake-on-hold.cif: NOTE, 2 WARNING(s) encountered.
tests/cases/cod_predeposition_check_028.opt: OK
tests/cases/cod_predeposition_check_029.opt: OK
tests/cases/cod_predeposition_check_030.opt: OK
tests/cases/cod_predeposition_check_031.opt: FAILED:
1,12c1
< scripts/cod_predeposition_check: tests/inputs/cm903170t_si_001-filtered-with-cell.cif data_A_BA4TA2O9_RT_p_01: WARNING, data name '_gsas_exptl_extinct_corr_t_min' is not recognised.
< scripts/cod_predeposition_check: tests/inputs/cm903170t_si_001-filtered-with-cell.cif data_A_BA4TA2O9_RT_p_01: WARNING, data name '_gsas_exptl_extinct_corr_t_max' is not recognised.
< scripts/cod_predeposition_check: tests/inputs/cm903170t_si_001-filtered-with-cell.cif data_A_BA4TA2O9_RT_p_01: WARNING, data name '_gsas_i100_meas' is not recognised.
< scripts/cod_predeposition_check: tests/inputs/cm903170t_si_001-filtered-with-cell.cif data_A_BA4TA2O9_RT_phase_1: NOTE, '_geom_angle_publ_flag' value 'N' changed to 'n' according to the built-in table from CIF Core dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (799 times).
< scripts/cod_predeposition_check: tests/inputs/cm903170t_si_001-filtered-with-cell.cif data_A_BA4TA2O9_RT_phase_1: NOTE, '_geom_bond_publ_flag' value 'N' changed to 'n' according to the built-in table from CIF Core dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (102 times).
< scripts/cod_predeposition_check: tests/inputs/cm903170t_si_001-filtered-with-cell.cif data_A_BA4TA2O9_RT_phase_2: NOTE, '_geom_angle_publ_flag' value 'N' changed to 'n' according to the built-in table from CIF Core dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (28 times).
< scripts/cod_predeposition_check: tests/inputs/cm903170t_si_001-filtered-with-cell.cif data_A_BA4TA2O9_RT_phase_2: NOTE, '_geom_bond_publ_flag' value 'N' changed to 'n' according to the built-in table from CIF Core dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (14 times).
< scripts/cod_predeposition_check: tests/inputs/cm903170t_si_001-filtered-with-cell.cif: NOTE, 12 WARNING(s) encountered.
< scripts/cod_predeposition_check: tests/inputs/cm903170t_si_001-filtered-with-cell.cif data_A_BA4TA2O9_RT_p_01: WARNING, data name '_gsas_exptl_extinct_corr_t_min' is not recognised.
< scripts/cod_predeposition_check: tests/inputs/cm903170t_si_001-filtered-with-cell.cif data_A_BA4TA2O9_RT_p_01: WARNING, data name '_gsas_exptl_extinct_corr_t_max' is not recognised.
< scripts/cod_predeposition_check: tests/inputs/cm903170t_si_001-filtered-with-cell.cif data_A_BA4TA2O9_RT_p_01: WARNING, data name '_gsas_i100_meas' is not recognised.
< CIF data_A_BA4TA2O9_RT_phase_1
---
> scripts/cod_predeposition_check: tests/inputs/cm903170t_si_001-filtered-with-cell.cif data_A_BA4TA2O9_RT_p_01: WARNING, data name '_gsas_exptl_extinct_corr_t_min' is not recognised.scripts/cod_predeposition_check: tests/inputs/cm903170t_si_001-filtered-with-cell.cif data_A_BA4TA2O9_RT_p_01: WARNING, data name '_gsas_exptl_extinct_corr_t_max' is not recognised.scripts/cod_predeposition_check: tests/inputs/cm903170t_si_001-filtered-with-cell.cif data_A_BA4TA2O9_RT_p_01: WARNING, data name '_gsas_i100_meas' is not recognised.CIF data_A_BA4TA2O9_RT_phase_1
tests/cases/cod_predeposition_check_032.opt: OK
tests/cases/cod_predeposition_check_033.opt: Test skipped - not running tests requiring network access
tests/cases/dic2markdown_001.inp: OK
tests/cases/dic2markdown_002.inp: OK
tests/cases/dic2markdown_003.inp: OK
tests/cases/dic2markdown_004.inp: OK
tests/cases/dic2markdown_005.inp: OK
tests/cases/msg_parse_001.inp: OK
tests/cases/msg_parse_002.inp: OK
tests/cases/msg_parse_003.inp: OK
tests/cases/msg_parse_004.inp: OK
tests/cases/msg_parse_005.inp: OK
tests/cases/msg_parse_006.inp: OK
tests/cases/oqmd2cif_001.opt:  OK
tests/cases/oqmd2cif_002.opt:  OK
tests/cases/oqmd2cif_003.opt:  OK
tests/cases/sdf_add_cod_data_001.opt: OK
tests/cases/sdf_add_cod_data_002.opt: OK
tests/cases/sdf_add_cod_data_003.opt: OK
tests/cases/ssg3d_001.inp:     OK
tests/cases/ssg3d_002.inp:     OK
tests/cases/ssg3d_003.inp:     OK
tests/cases/ssg3d_004.inp:     OK
tests/cases/ssg3d_005.inp:     OK
tests/cases/ssg3d_006.inp:     OK
tests/cases/ssg3d_007.inp:     OK
tests/cases/ssg3d_008.inp:     OK
tests/cases/ssg3d_009.inp:     OK
tests/cases/ssg_symop_canonical_001.inp: OK
tests/cases/ssg_symop_canonical_002.inp: OK
tests/cases/ssg_symop_canonical_003.inp: OK
tests/cases/ssg_symop_canonical_004.inp: OK
tests/cases/ssg_symop_check_001.inp: OK
tests/cases/ssg_symop_check_002.inp: OK
tests/cases/ssg_symop_check_003.inp: OK
tests/cases/ssg_symop_check_004.inp: OK
tests/cases/ssg_symop_check_005.inp: OK
tests/cases/ssg_symop_matrices_001.inp: OK
tests/cases/ssg_symop_matrices_002.inp: OK
tests/cases/ssg_symop_matrices_003.inp: OK
tests/cases/ssg_symop_string_001.inp: OK
tests/cases/symop_build_spacegroup_001.inp: OK
tests/cases/symop_build_spacegroup_002.inp: OK
tests/cases/symop_build_spacegroup_003.inp: OK
tests/cases/symop_build_spacegroup_004.inp: OK
tests/cases/symop_build_spacegroup_005.inp: OK
tests/cases/symop_build_spacegroup_006.inp: OK
tests/cases/symop_build_spacegroup_007.inp: OK
tests/cases/symop_build_spacegroup_008.inp: OK
tests/cases/symop_build_spacegroup_009.inp: OK
tests/cases/symop_build_spacegroup_010.inp: OK
tests/cases/symop_build_spacegroup_011.inp: OK
tests/cases/symop_build_spacegroup_012.inp: OK
tests/cases/symop_build_spacegroup_013.inp: OK
tests/cases/symop_build_spacegroup_014.inp: OK
tests/cases/symop_build_spacegroup_015.inp: OK
tests/cases/symop_build_spacegroup_016.inp: OK
tests/cases/symop_build_spacegroup_017.inp: OK
tests/cases/symop_build_spacegroup_018.inp: OK
tests/cases/symop_build_spacegroup_019.inp: OK
tests/cases/symop_build_spacegroup_020.inp: OK
tests/cases/utf8-to-cif_001.inp: OK
tests/cases/utf8-to-cif_002.inp: OK
tests/cases/utf8-to-cif_003.inp: OK
tests/cases/utf8-to-cif_004.inp: OK
tests/shtests/cif_cod_numbers_001.sh: Test skipped - not running tests requiring network access
tests/shtests/are_equiv_meas_002.sh: OK
tests/shtests/formula_sum_001.sh: OK
tests/shtests/have_equiv_timestamps_008.sh: OK
tests/shtests/set_loop_tag_005.sh: OK
tests/shtests/cod_manage_related_003.sh: OK
tests/shtests/cif2json_004.sh: OK
tests/shtests/cif_find_duplicates_005.sh: OK
tests/shtests/set_loop_tag_003.sh: OK
tests/shtests/have_equiv_lattices_009.sh: OK
tests/shtests/are_equiv_meas_004.sh: OK
tests/shtests/cif_split_002.sh: OK
tests/shtests/check_mandatory_presence_002.sh: OK
tests/shtests/cif_find_duplicates_010.sh: OK
tests/shtests/cif_find_duplicates_001.sh: OK
tests/shtests/cif_split_primitive_008.sh: OK
tests/shtests/neighbour_list_from_obmol_003.sh: OK
tests/shtests/set_loop_tag_008.sh: OK
tests/shtests/check_occupancies_002.sh: OK
tests/shtests/cif_tcod_tree_003.sh: FAILED:
0a1,2
> Can't locate WWW/Curl/Easy.pm in @INC (you may need to install the WWW::Curl::Easy module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
2a5,6
> cat: ./tmp-cif_tcod_tree_003/main.sh: No such file or directory
> + true
5,36d8
< ├── 0
< │   ├── aiida.err
< │   ├── aiida.in
< │   ├── aiida.out
< │   ├── _aiidasubmit.sh
< │   ├── _scheduler-stderr.txt
< │   └── _scheduler-stdout.txt
< ├── 1
< │   ├── aiida.err
< │   ├── aiida.in
< │   ├── aiida.out
< │   ├── _aiidasubmit.sh
< │   ├── _scheduler-stderr.txt
< │   └── _scheduler-stdout.txt
< ├── 2
< │   ├── aiida.err
< │   ├── aiida.in
< │   ├── aiida.out
< │   ├── _aiidasubmit.sh
< │   ├── _scheduler-stderr.txt
< │   ├── _scheduler-stdout.txt
< │   └── split
< │       ├── 1000000_molecule_0.cif
< │       └── 1000000_molecule_1.cif
< ├── 3
< │   ├── aiida.err
< │   ├── aiida.in
< │   ├── aiida.out
< │   ├── _aiidasubmit.sh
< │   ├── _scheduler-stderr.txt
< │   └── _scheduler-stdout.txt
< └── main.sh
38,52c10
< 5 directories, 27 files
< #!/bin/bash
< 
< (
<     cd 0; _aiidasubmit.sh
< )
< (
<     cd 1; _aiidasubmit.sh
< )
< (
<     cd 2; _aiidasubmit.sh
< )
< (
<     cd 3; _aiidasubmit.sh
< )
---
> 0 directories, 0 files
tests/shtests/has_inapplicable_value_003.sh: OK
tests/shtests/neighbour_list_from_mol_001.sh: Test skipped - no Chemistry::Mol and/or Chemistry::File::SMILES
tests/shtests/cif_printout_Python_003.sh: OK
tests/shtests/have_equiv_timestamps_009.sh: OK
tests/shtests/set_loop_tag_009.sh: OK
tests/shtests/cif_disorder_groups_007.sh: OK
tests/shtests/cif_disorder_groups_003.sh: OK
tests/shtests/set_loop_tag_010.sh: OK
tests/shtests/set_loop_tag_001.sh: OK
tests/shtests/cif_split_primitive_005.sh: OK
tests/shtests/have_equiv_lattices_004.sh: OK
tests/shtests/symop_algebra_002.sh: OK
tests/shtests/check_spacegroups_005.sh: OK
tests/shtests/cif_CODify_001.sh: OK
tests/shtests/utf8-to-cif_001.sh: OK
tests/shtests/cif_CODify_002.sh: OK
tests/shtests/has_unknown_value_002.sh: OK
tests/shtests/has_inapplicable_value_001.sh: OK
tests/shtests/cif_cod_numbers_002.sh: Test skipped - not running tests requiring network access
tests/shtests/cif_printout_Python_001.sh: OK
tests/shtests/cif_split_primitive_007.sh: OK
tests/shtests/cif_split_003.sh: OK
tests/shtests/cif_find_duplicates_009.sh: OK
tests/shtests/cif_disorder_groups_001.sh: OK
tests/shtests/find_numbers_005.sh: OK
tests/shtests/cif_split_primitive_001.sh: OK
tests/shtests/have_equiv_bibliographies_008.sh: OK
tests/shtests/have_equiv_bibliographies_009.sh: OK
tests/shtests/have_equiv_lattices_006.sh: OK
tests/shtests/have_equiv_timestamps_005.sh: OK
tests/shtests/check_spacegroups_003.sh: OK
tests/shtests/check_version_option.sh: FAILED:
0a1,3
> scripts/cif2cod: No --version option
> scripts/cif_parse_old_star: No --version option
> scripts/cif_tcod_tree: No --version option
tests/shtests/cif_split_primitive_002.sh: OK
tests/shtests/have_equiv_timestamps_006.sh: OK
tests/shtests/cif2json_003.sh: FAILED:
6,9c6,7
< scripts/cif2cod: - data_2000000: WARNING, data item '_publ_section_title' is absent.
< scripts/cif2cod: - data_2000000: WARNING, no Hall space group symbol found.
< "2000000";"8.243";"0.002";"10.368";"0.003";"11.497";"0.003";"111.64";"0.01";"107.94";"0.01";"93.45";"0.01";"851.974";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"5";"P -1";NULL;NULL;NULL;"- C16 H44 Co Nd2 O26 -";"- Co Nd2 O8 -";NULL;"A.Gonzalez; A.Beltran; A.le Bail";"";"Acta Crystallogr.,Sect.C:Cryst.Struct.Commun.";"1991";"47";NULL;"1624";NULL;NULL;NULL;NULL;"has coordinates";"A.Gonzalez; A.Beltran; A.le Bail\n\nActa Crystallogr.,Sect.C:Cryst.Struct.Commun.\n47\n(1991)\n1624"
< "4303187";"21.2761";"0.0004";"4.8975";"0.0002";"21.3259";"0.0005";"90.00";NULL;"97.045";"0.002";"90.00";NULL;"2205.38";"0.11";"150";"2";"150";"2";NULL;NULL;NULL;NULL;NULL;NULL;"4";"C 1 2/c 1";"-C 2yc";NULL;NULL;"- C27 H20 N4 O5 -";"- C27 H20 N4 O5 -";NULL;"Guo-Bi Li; Jun-Min Liu; Zhi-Quan Yu; Wei Wang; Cheng-Yong Su";"Assembly of a 1D Coordination Polymer through in Situ Formation of a New Ligand by Double C-C Coupling on CHCl3 under Solvothermal Conditions";"Inorganic Chemistry";"2009";"48";NULL;"8659";"8661";NULL;NULL;NULL;"has coordinates,has disorder";"Guo-Bi Li; Jun-Min Liu; Zhi-Quan Yu; Wei Wang; Cheng-Yong Su\nAssembly of a 1D Coordination Polymer through in Situ Formation of a New Ligand by Double C-C Coupling on CHCl3 under Solvothermal Conditions\nInorganic Chemistry\n48\n(2009)\n8659-8661"
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/shtests/cif-to-utf8_001.sh: OK
tests/shtests/check_occupancies_003.sh: OK
tests/shtests/have_equiv_bibliographies_007.sh: OK
tests/shtests/have_equiv_bibliographies_006.sh: OK
tests/shtests/cif_tcod_tree_005.sh: FAILED:
0a1,2
> Can't locate WWW/Curl/Easy.pm in @INC (you may need to install the WWW::Curl::Easy module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
2a5,6
> cat: ./tmp-cif_tcod_tree_005/main.sh: No such file or directory
> + true
5,95d8
< ├── 0
< │   ├── aiida.err
< │   ├── aiida.in
< │   ├── aiida.out
< │   └── _aiidasubmit.sh
< ├── 1
< │   ├── aiida.err
< │   ├── aiida.in
< │   ├── aiida.out
< │   └── _aiidasubmit.sh
< ├── 2
< │   ├── aiida.err
< │   ├── aiida.in
< │   ├── aiida.out
< │   ├── _aiidasubmit.sh
< │   └── split
< │       ├── 1000000_molecule_0.cif
< │       └── 1000000_molecule_1.cif
< ├── aiida
< │   ├── data.json
< │   ├── metadata.json
< │   └── nodes
< │       ├── 04
< │       │   └── 5a
< │       │       └── e3a9-0c2d-413f-b0f0-76d2af9cd73b
< │       │           └── raw_input
< │       │               ├── aiida.in
< │       │               └── _aiidasubmit.sh
< │       ├── 09
< │       │   ├── 3c
< │       │   │   └── bbf4-9880-4989-b9b2-5416cded56bb
< │       │   │       └── path
< │       │   │           ├── aiida.err
< │       │   │           ├── aiida.out
< │       │   │           ├── _scheduler-stderr.txt
< │       │   │           └── _scheduler-stdout.txt
< │       │   └── f3
< │       │       └── e62f-491a-4290-82c8-01d231016fde
< │       │           └── path
< │       │               └── tmpTELWn8
< │       ├── 24
< │       │   ├── b3
< │       │   │   └── 76f7-5673-4822-8438-7740b7b9e935
< │       │   │       └── path
< │       │   │           └── 1000000_molecule_0.cif
< │       │   └── e1
< │       │       └── 40e8-a41e-42c7-bea9-70d00167068d
< │       │           └── raw_input
< │       │               ├── aiida.in
< │       │               └── _aiidasubmit.sh
< │       ├── 3e
< │       │   └── 35
< │       │       └── c0b6-c486-4172-8f40-7e9391f89b02
< │       │           └── raw_input
< │       │               ├── aiida.in
< │       │               └── _aiidasubmit.sh
< │       ├── 4f
< │       │   └── 9b
< │       │       └── 2efe-be20-4098-b6a5-1d9d7beb43c3
< │       │           └── path
< │       │               ├── aiida.err
< │       │               ├── aiida.out
< │       │               ├── _scheduler-stderr.txt
< │       │               └── _scheduler-stdout.txt
< │       ├── 56
< │       │   └── 93
< │       │       └── da76-6ba4-4bdf-9d4e-bf016fb52e61
< │       │           └── path
< │       │               └── aiida.out
< │       ├── 67
< │       │   └── 49
< │       │       └── e87e-41c4-41a3-846f-fb3e8f9bb77b
< │       │           └── path
< │       │               ├── aiida.err
< │       │               ├── aiida.out
< │       │               ├── _scheduler-stderr.txt
< │       │               ├── _scheduler-stdout.txt
< │       │               └── split
< │       │                   ├── 1000000_molecule_0.cif
< │       │                   └── 1000000_molecule_1.cif
< │       ├── 87
< │       │   └── e7
< │       │       └── b703-837e-4e80-b7eb-cfcf81148e9e
< │       │           └── path
< │       │               └── aiida.out
< │       └── a5
< │           └── 22
< │               └── 4652-5800-47a7-a212-5b629040fe50
< │                   └── path
< │                       └── 1000000_molecule_1.cif
< └── main.sh
97,108c10
< 49 directories, 42 files
< #!/bin/bash
< 
< (
<     cd 0; _aiidasubmit.sh
< )
< (
<     cd 1; _aiidasubmit.sh
< )
< (
<     cd 2; _aiidasubmit.sh
< )
---
> 0 directories, 0 files
tests/shtests/are_equiv_meas_001.sh: OK
tests/shtests/check_option_descriptions.sh: FAILED:
0a1
> scripts/cif2cod: options "-C", "--cod-number", "-h", "--print-header", "-h-", "--dont-print-header", "--no-print-header", "-k", "--keywords", "--include-keywords-with-undefined-values", "--exclude-keywords-with-undefined-values", "--use-attached-hydrogens", "--dont-use-attached-hydrogens", "--no-use-attached-hydrogens", "--ignore-attached-hydrogens", "--require-only-doi", "--require-full-bibliography", "--reformat-space-group", "--dont-reformat-space-group", "--leave-space-group", "--columns", "--use-datablocks-without-coordinates", "--use-all-datablocks", "--do-not-use-datablocks-without-coordinates", "--dont-use-datablocks-without-coordinates", "--no-use-datablocks-without-coordinates", "--skip-datablocks-without-coordinates", "--validate-by-schema", "-c", "--always-continue", "-c-", "--always-die", "--continue-on-errors", "--dont-continue-on-errors", "--die-on-errors", "--do-not-continue-on-errors", "--no-continue-on-errors", "--exit-on-errors", "--continue-on-warnings", "--die-on-warnings", "--continue-on-notes", "--die-on-notes", "--use-perl-parser", "--use-c-parser", "--cif-input", "--json-input", "--help", "--usage", "--version" are not described in help.
1a3
> scripts/cif_CODify: options "--help", "--usage", "--version" are not described in help.
4c6
< scripts/cif_CODify: options "--authors", "-a", "--journal", "-j", "--volume", "-v", "--issue", "-i", "--page", "-p", "--start-page", "--end-page", "-e", "--year", "-y", "--doi", "-D", "--bibliography", "-B", "--bibliography", "--leave-bibliography", "--discard-bibliography", "--leave-title", "--global-priority", "-g", "--no-global-priority", "-g-", "--exclude-publication-details", "--dont-exclude-publication-details", "--no-exclude-publication-details", "--add-cif-header", "-h", "--estimate-spacegroup", "-s", "--no-estimate-spacegroup", "-s-", "--dont-estimate-spacegroup", "--keep-unrecognised-spacegroups", "--dont-keep-unrecognised-spacegroups", "--no-keep-unrecognised-spacegroups", "--reformat-spacegroup", "--reformat-space-group", "--leave-space-group", "--dont-reformat-space-group", "--leave-spacegroup", "--dont-reformat-spacegroup", "--exclude-empty-tags", "--no-exclude-empty-tags", "--dont-exclude-empty-tags", "--exclude-empty-non-loop-tags", "--dont-exclude-non-loop-empty-tags", "--no-exclude-non-loop-empty-tags", "--exclude-unknown-tags", "--no-exclude-unknown-tags", "--dont-exclude-unknown-tags", "--exclude-unknown-non-loop-tags", "--dont-exclude-non-loop-unknown-tags", "--no-exclude-non-loop-unknown-tags", "--extra-tag-list", "-x", "--exclude-misspelled-tags", "--dont-exclude-misspelled-tags", "--no-exclude-misspelled-tags", "--parse-formula-sum", "--no-parse-formula-sum", "--dont-parse-formula-sum", "--fix-syntax-errors", "--no-fix-syntax-errors", "--dont-fix-syntax-errors", "--retain-tag-order", "--dont-retain-tag-order", "--preserve-loop-order", "--use-internal-loop-order", "--calculate-cell-volume", "--dont-calculate-cell-volume", "--original-filename", "--clear-original-filename", "--record-original-filename", "--dont-record-original-filename", "--start-data-block-number", "-S", "--datablock-format", "-d", "--renumber-data-blocks", "-R", "--dont-renumber-data-blocks", "-R-", "--original-filename-tag", "--original-data-block-tag", "--database-code-tag", "--update-database-code", "--dont-update-database-code", "--use-datablocks-without-coordinates", "--use-all-datablocks", "--do-not-use-datablocks-without-coordinates", "--dont-use-datablocks-without-coordinates", "--no-use-datablocks-without-coordinates", "--skip-datablocks-without-coordinates", "--use-datablocks-with-structure-factors", "--dont-use-datablocks-with-structure-factors", "--no-use-datablocks-with-structure-factors", "--skip-datablocks-with-structure-factors", "--folding-width", "--fold-title", "--dont-fold-title", "--fold-long-fields", "--dont-fold-long-fields", "--use-perl-parser", "--use-c-parser", "--cif-input", "--json-input", "--cif-output", "--json-output", "--cif", "--json" are described in help, but no longer exist.
---
> scripts/cif_cod_deposit: options "-c", "-h", "-p", "-u", "-s", "-d", "-r", "-D", "-P", "-D-", "-P-", "--cif", "--hkl", "--url", "--run", "--fobs", "--host", "--path", "--help", "--debug", "--usage", "--config", "--silent", "--use-rm", "--strict", "--script", "--add-cif", "--add-hkl", "--replace", "--log-msg", "--version", "--add-fobs", "--no-debug", "--progress", "--use-wipe", "--clear-cif", "--clear-hkl", "--clear-fobs", "--read-stdin", "--output-mode", "--no-progress", "--log-message", "--release-data", "--dont-use-wipe", "--deposition-type", "--iucr-cif-header", "--separate-outputs", "--print-timestamps", "--require-only-doi", "--amcsd-cif-header", "--common-cif-header", "--no-print-timestamps", "--dont-print-timestamps", "--crystaleye-cif-header", "--require-full-bibliography", "--ignore-unpaired-datablocks", "--no-ignore-unpaired-datablocks", "--dont-ignore-unpaired-datablocks" are not described in help.
7a10
> scripts/cif_parse_old_star: options "--help", "--usage", "--version" are not described in help.
8a12
> scripts/cif_tcod_tree: options "-o", "--output-dir", "--no-outputs", "--dry-run", "-l", "--list", "--use-perl-parser", "--use-c-parser", "--help", "--usage", "--version" are not described in help.
tests/shtests/cif_split_001.sh: OK
tests/shtests/cif_find_duplicates_006.sh: OK
tests/shtests/have_equiv_bibliographies_005.sh: OK
tests/shtests/have_equiv_timestamps_004.sh: OK
tests/shtests/cif_split_primitive_004.sh: OK
tests/shtests/have_equiv_lattices_002.sh: OK
tests/shtests/cif_print_loop_001.sh: OK
tests/shtests/check_mandatory_presence_001.sh: OK
tests/shtests/check_spacegroups_002.sh: OK
tests/shtests/cif_find_duplicates_004.sh: OK
tests/shtests/are_equiv_meas_007.sh: OK
tests/shtests/cif2json_001.sh: FAILED:
1,3c1,2
< scripts/cif2cod: - data_2000000: WARNING, data item '_publ_section_title' is absent.
< scripts/cif2cod: - data_2000000: WARNING, no Hall space group symbol found.
< "2000000";"8.243";"0.002";"10.368";"0.003";"11.497";"0.003";"111.64";"0.01";"107.94";"0.01";"93.45";"0.01";"851.974";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"5";"P -1";NULL;NULL;NULL;"- C16 H44 Co Nd2 O26 -";"- Co Nd2 O8 -";NULL;"A.Gonzalez; A.Beltran; A.le Bail";"";"Acta Crystallogr.,Sect.C:Cryst.Struct.Commun.";"1991";"47";NULL;"1624";NULL;NULL;NULL;NULL;"has coordinates";"A.Gonzalez; A.Beltran; A.le Bail\n\nActa Crystallogr.,Sect.C:Cryst.Struct.Commun.\n47\n(1991)\n1624"
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/shtests/cif_find_duplicates_008.sh: OK
tests/shtests/have_equiv_bibliographies_004.sh: OK
tests/shtests/check_occupancies_001.sh: OK
tests/shtests/has_unknown_value_003.sh: OK
tests/shtests/have_equiv_lattices_005.sh: OK
tests/shtests/cif2ref_001.sh:  OK
tests/shtests/set_loop_tag_007.sh: OK
tests/shtests/codcif2sdf_002.sh: ./tests/shtests/codcif2sdf_002.chk: 3: ./tests/shtests/codcif2sdf_002.chk: babel: not found
Test skipped - test only compatible with Open Babel version 2.3.0
tests/shtests/are_equiv_meas_003.sh: OK
tests/shtests/find_numbers_002.sh: OK
tests/shtests/set_loop_tag_004.sh: OK
tests/shtests/find_numbers_003.sh: OK
tests/shtests/check_help_option.sh: FAILED:
0a1,8
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
> ./scripts/cif_CODify: 37: ./scripts/cif_CODify: gawk: not found
> ./scripts/cif_cod_deposit: line 351: gawk: command not found
> Can't locate STAR/Parser.pm in @INC (you may need to install the STAR::Parser module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
> Can't locate WWW/Curl/Easy.pm in @INC (you may need to install the WWW::Curl::Easy module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/shtests/neighbour_list_from_obmol_002.sh: OK
tests/shtests/codcif2sdf_004.sh: ./tests/shtests/codcif2sdf_004.chk: 3: ./tests/shtests/codcif2sdf_004.chk: babel: not found
Test skipped - test only compatible with Open Babel version 2.3.2
tests/shtests/has_numeric_value_001.sh: OK
tests/shtests/cif_print_loop_002.sh: OK
tests/shtests/symop_algebra_001.sh: OK
tests/shtests/set_loop_tag_012.sh: OK
tests/shtests/cif_split_primitive_003.sh: OK
tests/shtests/has_special_value_001.sh: OK
tests/shtests/set_tag_001.sh:  OK
tests/shtests/cif_tcod_tree_004.sh: FAILED:
0a1,2
> Can't locate WWW/Curl/Easy.pm in @INC (you may need to install the WWW::Curl::Easy module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
2a5,6
> cat: ./tmp-cif_tcod_tree_004/main.sh: No such file or directory
> + true
5,6d8
< ├── main.sh
< └── test.cif
8,13c10
< 0 directories, 2 files
< #!/bin/bash
< 
< (
<     cat test.cif
< )
---
> 0 directories, 0 files
tests/shtests/are_equiv_meas_005.sh: OK
tests/shtests/has_unknown_value_001.sh: OK
tests/shtests/have_equiv_bibliographies_002.sh: OK
tests/shtests/cif_tcod_tree_006.sh: FAILED:
0a1,2
> Can't locate WWW/Curl/Easy.pm in @INC (you may need to install the WWW::Curl::Easy module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
2a5,6
> cat: ./tmp-cif_tcod_tree_006/main.sh: No such file or directory
> + true
5,7d8
< ├── inputs
< │   └── test.cif
< └── main.sh
9,14c10
< 1 directory, 2 files
< #!/bin/bash
< 
< (
<     cat inputs/test.cif
< )
---
> 0 directories, 0 files
tests/shtests/cif_tcod_tree_007.sh: FAILED:
0a1,2
> Can't locate WWW/Curl/Easy.pm in @INC (you may need to install the WWW::Curl::Easy module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
2a5,6
> cat: ./tmp-cif_tcod_tree_007/main.sh: No such file or directory
> + true
5,95d8
< ├── 0
< │   ├── aiida.err
< │   ├── aiida.in
< │   ├── aiida.out
< │   └── _aiidasubmit.sh
< ├── 1
< │   ├── aiida.err
< │   ├── aiida.in
< │   ├── aiida.out
< │   └── _aiidasubmit.sh
< ├── 2
< │   ├── aiida.err
< │   ├── aiida.in
< │   ├── aiida.out
< │   ├── _aiidasubmit.sh
< │   └── split
< │       ├── 1000000_molecule_0.cif
< │       └── 1000000_molecule_1.cif
< ├── aiida
< │   ├── data.json
< │   ├── metadata.json
< │   └── nodes
< │       ├── 04
< │       │   └── 5a
< │       │       └── e3a9-0c2d-413f-b0f0-76d2af9cd73b
< │       │           └── raw_input
< │       │               ├── aiida.in
< │       │               └── _aiidasubmit.sh
< │       ├── 09
< │       │   ├── 3c
< │       │   │   └── bbf4-9880-4989-b9b2-5416cded56bb
< │       │   │       └── path
< │       │   │           ├── aiida.err
< │       │   │           ├── aiida.out
< │       │   │           ├── _scheduler-stderr.txt
< │       │   │           └── _scheduler-stdout.txt
< │       │   └── f3
< │       │       └── e62f-491a-4290-82c8-01d231016fde
< │       │           └── path
< │       │               └── tmpTELWn8
< │       ├── 24
< │       │   ├── b3
< │       │   │   └── 76f7-5673-4822-8438-7740b7b9e935
< │       │   │       └── path
< │       │   │           └── 1000000_molecule_0.cif
< │       │   └── e1
< │       │       └── 40e8-a41e-42c7-bea9-70d00167068d
< │       │           └── raw_input
< │       │               ├── aiida.in
< │       │               └── _aiidasubmit.sh
< │       ├── 3e
< │       │   └── 35
< │       │       └── c0b6-c486-4172-8f40-7e9391f89b02
< │       │           └── raw_input
< │       │               ├── aiida.in
< │       │               └── _aiidasubmit.sh
< │       ├── 4f
< │       │   └── 9b
< │       │       └── 2efe-be20-4098-b6a5-1d9d7beb43c3
< │       │           └── path
< │       │               ├── aiida.err
< │       │               ├── aiida.out
< │       │               ├── _scheduler-stderr.txt
< │       │               └── _scheduler-stdout.txt
< │       ├── 56
< │       │   └── 93
< │       │       └── da76-6ba4-4bdf-9d4e-bf016fb52e61
< │       │           └── path
< │       │               └── aiida.out
< │       ├── 67
< │       │   └── 49
< │       │       └── e87e-41c4-41a3-846f-fb3e8f9bb77b
< │       │           └── path
< │       │               ├── aiida.err
< │       │               ├── aiida.out
< │       │               ├── _scheduler-stderr.txt
< │       │               ├── _scheduler-stdout.txt
< │       │               └── split
< │       │                   ├── 1000000_molecule_0.cif
< │       │                   └── 1000000_molecule_1.cif
< │       ├── 87
< │       │   └── e7
< │       │       └── b703-837e-4e80-b7eb-cfcf81148e9e
< │       │           └── path
< │       │               └── aiida.out
< │       └── a5
< │           └── 22
< │               └── 4652-5800-47a7-a212-5b629040fe50
< │                   └── path
< │                       └── 1000000_molecule_1.cif
< └── main.sh
97,109c10
< 49 directories, 42 files
< #!/bin/bash
< 
< verdi import aiida
< (
<     cd 0; _aiidasubmit.sh
< )
< (
<     cd 1; _aiidasubmit.sh
< )
< (
<     cd 2; _aiidasubmit.sh
< )
---
> 0 directories, 0 files
tests/shtests/cif_printout_Python_005.sh: OK
tests/shtests/cif_disorder_groups_005.sh: OK
tests/shtests/cif_disorder_groups_006.sh: OK
tests/shtests/molcif2sdf_001.sh: ./tests/shtests/molcif2sdf_001.chk: 3: ./tests/shtests/molcif2sdf_001.chk: babel: not found
Test skipped - test only compatible with Open Babel version 2.3.0
tests/shtests/have_equiv_timestamps_002.sh: OK
tests/shtests/are_equiv_meas_008.sh: OK
tests/shtests/cif_split_primitive_010.sh: OK
tests/shtests/cif_parse_001.sh: OK
tests/shtests/have_equiv_lattices_003.sh: OK
tests/shtests/cif_molecule_001.sh: Test skipped - no AtomClassifier.pm
tests/shtests/sprint_table_001.sh: OK
tests/shtests/have_equiv_lattices_008.sh: OK
tests/shtests/parse_datetime_002.sh: OK
tests/shtests/cif_find_duplicates_002.sh: OK
tests/shtests/molcif2sdf_002.sh: ./tests/shtests/molcif2sdf_002.chk: 3: ./tests/shtests/molcif2sdf_002.chk: babel: not found
Test skipped - test only compatible with Open Babel version 2.3.0
tests/shtests/escape_001.sh:   OK
tests/shtests/parse_datetime_001.sh: OK
tests/shtests/cif_printout_Python_004.sh: OK
tests/shtests/check_mandatory_presence_003.sh: OK
tests/shtests/are_equiv_meas_006.sh: OK
tests/shtests/cod_manage_related_001.sh: OK
tests/shtests/have_equiv_timestamps_001.sh: OK
tests/shtests/canonicalize_author_name_001.sh: OK
tests/shtests/cod_manage_related_002.sh: OK
tests/shtests/cif2json_005.sh: OK
tests/shtests/set_loop_tag_006.sh: OK
tests/shtests/set_loop_tag_002.sh: OK
tests/shtests/find_numbers_004.sh: OK
tests/shtests/cif_filter_001.sh: OK
tests/shtests/cif_split_primitive_009.sh: OK
tests/shtests/have_equiv_lattices_001.sh: OK
tests/shtests/have_equiv_lattices_007.sh: OK
tests/shtests/set_loop_tag_013.sh: OK
tests/shtests/check_mandatory_presence_004.sh: OK
tests/shtests/check_spacegroups_001.sh: OK
tests/shtests/cif_find_duplicates_007.sh: OK
tests/shtests/codcif2sdf_003.sh: ./tests/shtests/codcif2sdf_003.chk: 3: ./tests/shtests/codcif2sdf_003.chk: babel: not found
Test skipped - test only compatible with Open Babel version 2.3.2
tests/shtests/has_inapplicable_value_002.sh: OK
tests/shtests/check_occupancies_004.sh: OK
tests/shtests/neighbour_list_from_mol_002.sh: Test skipped - no Chemistry::Mol and/or Chemistry::File::SMILES
tests/shtests/have_equiv_bibliographies_003.sh: OK
tests/shtests/cif_tcod_tree_002.sh: FAILED:
1c1,2
< scripts/cif_tcod_tree: tests/inputs/tcod-crafted.cif data_tcod_cif: WARNING, MD5 checksums of the original 'test.cif' and decoded files are different.
---
> Can't locate WWW/Curl/Easy.pm in @INC (you may need to install the WWW::Curl::Easy module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
3a5,6
> cat: ./tmp-cif_tcod_tree_002/main.sh: No such file or directory
> + true
6,8d8
< ├── author.txt
< ├── main.sh
< └── test.cif
10,18c10
< 0 directories, 3 files
< #!/bin/bash
< 
< (
<     PATH=.
<     PERL5LIB=.
< 
<     cat test.cif
< )
---
> 0 directories, 0 files
tests/shtests/cif_printout_Python_002.sh: OK
tests/shtests/have_equiv_timestamps_007.sh: OK
tests/shtests/molcif2sdf_004.sh: ./tests/shtests/molcif2sdf_004.chk: 3: ./tests/shtests/molcif2sdf_004.chk: babel: not found
Test skipped - test only compatible with Open Babel version 2.3.2
tests/shtests/cif2json_002.sh: FAILED:
1,3c1,2
< scripts/cif2cod: - data_2000000: WARNING, data item '_publ_section_title' is absent.
< scripts/cif2cod: - data_2000000: WARNING, no Hall space group symbol found.
< "2000000";"8.243";"0.002";"10.368";"0.003";"11.497";"0.003";"111.64";"0.01";"107.94";"0.01";"93.45";"0.01";"851.974";NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;NULL;"5";"P -1";NULL;NULL;NULL;"- C16 H44 Co Nd2 O26 -";"- Co Nd2 O8 -";NULL;"A.Gonzalez; A.Beltran; A.le Bail";"";"Acta Crystallogr.,Sect.C:Cryst.Struct.Commun.";"1991";"47";NULL;"1624";NULL;NULL;NULL;NULL;"has coordinates";"A.Gonzalez; A.Beltran; A.le Bail\n\nActa Crystallogr.,Sect.C:Cryst.Struct.Commun.\n47\n(1991)\n1624"
---
> Can't locate XML/Simple.pm in @INC (you may need to install the XML::Simple module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
tests/shtests/cif_disorder_groups_004.sh: OK
tests/shtests/cif_disorder_groups_002.sh: OK
tests/shtests/find_numbers_001.sh: OK
tests/shtests/have_equiv_timestamps_003.sh: OK
tests/shtests/cif_split_primitive_006.sh: OK
tests/shtests/msg_parse_001.sh: OK
tests/shtests/check_spacegroups_004.sh: OK
tests/shtests/symop_algebra_004.sh: OK
tests/shtests/neighbour_list_from_obmol_001.sh: OK
tests/shtests/cif_find_duplicates_003.sh: OK
tests/shtests/molcif2sdf_003.sh: ./tests/shtests/molcif2sdf_003.chk: 3: ./tests/shtests/molcif2sdf_003.chk: babel: not found
Test skipped - test only compatible with Open Babel version 2.3.2
tests/shtests/set_loop_tag_011.sh: OK
tests/shtests/codcif2sdf_001.sh: ./tests/shtests/codcif2sdf_001.chk: 3: ./tests/shtests/codcif2sdf_001.chk: babel: not found
Test skipped - test only compatible with Open Babel version 2.3.0
tests/shtests/symop_algebra_003.sh: OK
tests/shtests/have_equiv_bibliographies_010.sh: OK
tests/shtests/have_equiv_bibliographies_001.sh: OK
tests/shtests/cif_tcod_tree_001.sh: FAILED:
0a1,2
> Can't locate WWW/Curl/Easy.pm in @INC (you may need to install the WWW::Curl::Easy module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.26.2 /usr/local/share/perl/5.26.2 /usr/lib/arm-linux-gnueabihf/perl5/5.26 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.26 /usr/share/perl/5.26 /usr/local/lib/site_perl /usr/lib/arm-linux-gnueabihf/perl-base) at <script_name> line <line_no>.
> BEGIN failed--compilation aborted at <script_name> line <line_no>.
2a5,6
> cat: ./tmp-cif_tcod_tree_001/main.sh: No such file or directory
> + true
5,36d8
< ├── 0
< │   ├── aiida.err
< │   ├── aiida.in
< │   ├── aiida.out
< │   ├── _aiidasubmit.sh
< │   ├── _scheduler-stderr.txt
< │   └── _scheduler-stdout.txt
< ├── 1
< │   ├── aiida.err
< │   ├── aiida.in
< │   ├── aiida.out
< │   ├── _aiidasubmit.sh
< │   ├── _scheduler-stderr.txt
< │   └── _scheduler-stdout.txt
< ├── 2
< │   ├── aiida.err
< │   ├── aiida.in
< │   ├── aiida.out
< │   ├── _aiidasubmit.sh
< │   ├── _scheduler-stderr.txt
< │   ├── _scheduler-stdout.txt
< │   └── split
< │       ├── 1000000_molecule_0.cif
< │       └── 1000000_molecule_1.cif
< ├── 3
< │   ├── aiida.err
< │   ├── aiida.in
< │   ├── aiida.out
< │   ├── _aiidasubmit.sh
< │   ├── _scheduler-stderr.txt
< │   └── _scheduler-stdout.txt
< └── main.sh
38,52c10
< 5 directories, 27 files
< #!/bin/bash
< 
< (
<     cd 0; _aiidasubmit.sh
< )
< (
<     cd 1; _aiidasubmit.sh
< )
< (
<     cd 2; _aiidasubmit.sh
< )
< (
<     cd 3; _aiidasubmit.sh
< )
---
> 0 directories, 0 files
tools/help2man scripts/cif-to-utf8 --bugs-email cod-bugs@ibt.lt > doc/man/cif-to-utf8.1
tools/help2man scripts/cif2cod --bugs-email cod-bugs@ibt.lt > doc/man/cif2cod.1
tools/help2man scripts/cif2csv --bugs-email cod-bugs@ibt.lt > doc/man/cif2csv.1
tools/help2man scripts/cif2json --bugs-email cod-bugs@ibt.lt > doc/man/cif2json.1
tools/help2man scripts/cif2rdf --bugs-email cod-bugs@ibt.lt > doc/man/cif2rdf.1
tools/help2man scripts/cif2ref --bugs-email cod-bugs@ibt.lt > doc/man/cif2ref.1
tools/help2man scripts/cif2xyz --bugs-email cod-bugs@ibt.lt > doc/man/cif2xyz.1
tools/help2man scripts/cif_CODify --bugs-email cod-bugs@ibt.lt > doc/man/cif_CODify.1
tools/help2man scripts/cif_Fcalc --bugs-email cod-bugs@ibt.lt > doc/man/cif_Fcalc.1
tools/help2man scripts/cif_adjust_journal_name_volume --bugs-email cod-bugs@ibt.lt > doc/man/cif_adjust_journal_name_volume.1
tools/help2man scripts/cif_bounding_box --bugs-email cod-bugs@ibt.lt > doc/man/cif_bounding_box.1
tools/help2man scripts/cif_cell_contents --bugs-email cod-bugs@ibt.lt > doc/man/cif_cell_contents.1
tools/help2man scripts/cif_classify --bugs-email cod-bugs@ibt.lt > doc/man/cif_classify.1
tools/help2man scripts/cif_cod_check --bugs-email cod-bugs@ibt.lt > doc/man/cif_cod_check.1
tools/help2man scripts/cif_cod_deposit --bugs-email cod-bugs@ibt.lt > doc/man/cif_cod_deposit.1
tools/help2man scripts/cif_cod_numbers --bugs-email cod-bugs@ibt.lt > doc/man/cif_cod_numbers.1
tools/help2man scripts/cif_correct_tags --bugs-email cod-bugs@ibt.lt > doc/man/cif_correct_tags.1
tools/help2man scripts/cif_create_AMCSD_pressure_temp_tags --bugs-email cod-bugs@ibt.lt > doc/man/cif_create_AMCSD_pressure_temp_tags.1
tools/help2man scripts/cif_dictionary_tags --bugs-email cod-bugs@ibt.lt > doc/man/cif_dictionary_tags.1
tools/help2man scripts/cif_diff --bugs-email cod-bugs@ibt.lt > doc/man/cif_diff.1
tools/help2man scripts/cif_distances --bugs-email cod-bugs@ibt.lt > doc/man/cif_distances.1
tools/help2man scripts/cif_estimate_Z --bugs-email cod-bugs@ibt.lt > doc/man/cif_estimate_Z.1
tools/help2man scripts/cif_eval_numbers --bugs-email cod-bugs@ibt.lt > doc/man/cif_eval_numbers.1
tools/help2man scripts/cif_fillcell --bugs-email cod-bugs@ibt.lt > doc/man/cif_fillcell.1
tools/help2man scripts/cif_filter --bugs-email cod-bugs@ibt.lt > doc/man/cif_filter.1
tools/help2man scripts/cif_find_duplicates --bugs-email cod-bugs@ibt.lt > doc/man/cif_find_duplicates.1
tools/help2man scripts/cif_find_symmetry --bugs-email cod-bugs@ibt.lt > doc/man/cif_find_symmetry.1
tools/help2man scripts/cif_fix_values --bugs-email cod-bugs@ibt.lt > doc/man/cif_fix_values.1
tools/help2man scripts/cif_hkl_COD_number --bugs-email cod-bugs@ibt.lt > doc/man/cif_hkl_COD_number.1
tools/help2man scripts/cif_hkl_check --bugs-email cod-bugs@ibt.lt > doc/man/cif_hkl_check.1
tools/help2man scripts/cif_mark_disorder --bugs-email cod-bugs@ibt.lt > doc/man/cif_mark_disorder.1
tools/help2man scripts/cif_merge --bugs-email cod-bugs@ibt.lt > doc/man/cif_merge.1
tools/help2man scripts/cif_molecule --bugs-email cod-bugs@ibt.lt > doc/man/cif_molecule.1
tools/help2man scripts/cif_mpod_v1_to_v2 --bugs-email cod-bugs@ibt.lt > doc/man/cif_mpod_v1_to_v2.1
tools/help2man scripts/cif_mpod_v1_to_v3 --bugs-email cod-bugs@ibt.lt > doc/man/cif_mpod_v1_to_v3.1
tools/help2man scripts/cif_mpod_v2_to_v1 --bugs-email cod-bugs@ibt.lt > doc/man/cif_mpod_v2_to_v1.1
tools/help2man scripts/cif_mpod_v3_to_v1 --bugs-email cod-bugs@ibt.lt > doc/man/cif_mpod_v3_to_v1.1
tools/help2man scripts/cif_overlay --bugs-email cod-bugs@ibt.lt > doc/man/cif_overlay.1
tools/help2man scripts/cif_p1 --bugs-email cod-bugs@ibt.lt > doc/man/cif_p1.1
tools/help2man scripts/cif_parse --bugs-email cod-bugs@ibt.lt > doc/man/cif_parse.1
tools/help2man scripts/cif_parse_old_star --bugs-email cod-bugs@ibt.lt > doc/man/cif_parse_old_star.1
tools/help2man scripts/cif_printout --bugs-email cod-bugs@ibt.lt > doc/man/cif_printout.1
tools/help2man scripts/cif_reduce_Niggli --bugs-email cod-bugs@ibt.lt > doc/man/cif_reduce_Niggli.1
tools/help2man scripts/cif_reduce_cell --bugs-email cod-bugs@ibt.lt > doc/man/cif_reduce_cell.1
tools/help2man scripts/cif_reformat_AMCSD_author_names --bugs-email cod-bugs@ibt.lt > doc/man/cif_reformat_AMCSD_author_names.1
tools/help2man scripts/cif_reformat_pubmed_author_names --bugs-email cod-bugs@ibt.lt > doc/man/cif_reformat_pubmed_author_names.1
tools/help2man scripts/cif_reformat_uppercase_author_names --bugs-email cod-bugs@ibt.lt > doc/man/cif_reformat_uppercase_author_names.1
tools/help2man scripts/cif_select --bugs-email cod-bugs@ibt.lt > doc/man/cif_select.1
tools/help2man scripts/cif_set_value --bugs-email cod-bugs@ibt.lt > doc/man/cif_set_value.1
tools/help2man scripts/cif_sort_atoms --bugs-email cod-bugs@ibt.lt > doc/man/cif_sort_atoms.1
tools/help2man scripts/cif_split --bugs-email cod-bugs@ibt.lt > doc/man/cif_split.1
tools/help2man scripts/cif_split_primitive --bugs-email cod-bugs@ibt.lt > doc/man/cif_split_primitive.1
tools/help2man scripts/cif_symop_apply --bugs-email cod-bugs@ibt.lt > doc/man/cif_symop_apply.1
tools/help2man scripts/cif_tags_in_list --bugs-email cod-bugs@ibt.lt > doc/man/cif_tags_in_list.1
tools/help2man scripts/cif_tcod_tree --bugs-email cod-bugs@ibt.lt > doc/man/cif_tcod_tree.1
tools/help2man scripts/cif_validate --bugs-email cod-bugs@ibt.lt > doc/man/cif_validate.1
tools/help2man scripts/cif_values --bugs-email cod-bugs@ibt.lt > doc/man/cif_values.1
tools/help2man scripts/cod-tools-version --bugs-email cod-bugs@ibt.lt > doc/man/cod-tools-version.1
tools/help2man scripts/cod2rdf --bugs-email cod-bugs@ibt.lt > doc/man/cod2rdf.1
tools/help2man scripts/cod_fetch --bugs-email cod-bugs@ibt.lt > doc/man/cod_fetch.1
tools/help2man scripts/cod_manage_related --bugs-email cod-bugs@ibt.lt > doc/man/cod_manage_related.1
tools/help2man scripts/cod_predeposition_check --bugs-email cod-bugs@ibt.lt > doc/man/cod_predeposition_check.1
tools/help2man scripts/codcif2sdf --bugs-email cod-bugs@ibt.lt > doc/man/codcif2sdf.1
tools/help2man scripts/dic2markdown --bugs-email cod-bugs@ibt.lt > doc/man/dic2markdown.1
tools/help2man scripts/fetch_cif_dict --bugs-email cod-bugs@ibt.lt > doc/man/fetch_cif_dict.1
tools/help2man scripts/find_numbers --bugs-email cod-bugs@ibt.lt > doc/man/find_numbers.1
tools/help2man scripts/formula_sum --bugs-email cod-bugs@ibt.lt > doc/man/formula_sum.1
tools/help2man scripts/json2cif --bugs-email cod-bugs@ibt.lt > doc/man/json2cif.1
tools/help2man scripts/molcif2sdf --bugs-email cod-bugs@ibt.lt > doc/man/molcif2sdf.1
tools/help2man scripts/msg_parse --bugs-email cod-bugs@ibt.lt > doc/man/msg_parse.1
tools/help2man scripts/oqmd2cif --bugs-email cod-bugs@ibt.lt > doc/man/oqmd2cif.1
tools/help2man scripts/sdf_add_cod_data --bugs-email cod-bugs@ibt.lt > doc/man/sdf_add_cod_data.1
tools/help2man scripts/ssg3d --bugs-email cod-bugs@ibt.lt > doc/man/ssg3d.1
tools/help2man scripts/ssg_symop_canonical --bugs-email cod-bugs@ibt.lt > doc/man/ssg_symop_canonical.1
tools/help2man scripts/ssg_symop_check --bugs-email cod-bugs@ibt.lt > doc/man/ssg_symop_check.1
tools/help2man scripts/ssg_symop_matrices --bugs-email cod-bugs@ibt.lt > doc/man/ssg_symop_matrices.1
tools/help2man scripts/ssg_symop_string --bugs-email cod-bugs@ibt.lt > doc/man/ssg_symop_string.1
tools/help2man scripts/symop_build_spacegroup --bugs-email cod-bugs@ibt.lt > doc/man/symop_build_spacegroup.1
tools/help2man scripts/utf8-to-cif --bugs-email cod-bugs@ibt.lt > doc/man/utf8-to-cif.1
tools/help2man scripts/cif_printout_Python --bugs-email cod-bugs@ibt.lt > doc/man/cif_printout_Python.1
src/components/codcif/cifparse --help | tools/help2man --stdin --name cifparse --bugs-email cod-bugs@ibt.lt > doc/man/cifparse.1
src/components/codcif/cifvalues --help | tools/help2man --stdin --name cifvalues --bugs-email cod-bugs@ibt.lt > doc/man/cifvalues.1
src/components/codcif/cif_list_tags --help | tools/help2man --stdin --name cif_list_tags --bugs-email cod-bugs@ibt.lt > doc/man/cif_list_tags.1
make[1]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg'
   dh_auto_test -a -O--no-parallel
   create-stamp debian/debhelper-build-stamp
 fakeroot debian/rules binary-arch
dh binary-arch --with python2,python3 --no-parallel
   dh_testroot -a -O--no-parallel
   dh_prep -a -O--no-parallel
   debian/rules override_dh_auto_install
make[1]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg'
dh_auto_install -- PREFIX=/<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr
	make -j1 install DESTDIR=/<<BUILDDIR>>/cod-tools-2.2\+dfsg/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" PREFIX=/<<BUILDDIR>>/cod-tools-2.2\+dfsg/debian/tmp/usr
make[2]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg'
make -C src
make[3]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src'
make[4]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals'
make[5]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions'
cc -shared -Xlinker -soname=libcexceptions.so.0 -o lib/libcexceptions.so.0.01 obj/cxprintf.o obj/stringx.o obj/allocx.o obj/stdiox.o obj/cexceptions.o
cc -g -Wall -I. -I./tests -I../cexceptions -fPIC -c tests/subsystem_a.c -o obj/subsystem_a.o
cc -g -Wall -I. -I./tests -I../cexceptions -fPIC -c tests/subsystem_b.c -o obj/subsystem_b.o
cc -g -Wall -I. -I./tests -I../cexceptions -fPIC -L../cexceptions/lib tests/programs/texceptions.c obj/subsystem_a.o obj/subsystem_b.o lib/libcexceptions.a -o bin/texceptions -lm -lcexceptions
cc -g -Wall -I. -I./tests -I../cexceptions -fPIC -L../cexceptions/lib tests/programs/fopenx.c obj/subsystem_a.o obj/subsystem_b.o lib/libcexceptions.a -o bin/fopenx -lm -lcexceptions
cc -g -Wall -I. -I./tests -I../cexceptions -fPIC -L../cexceptions/lib tests/programs/tfinaly.c obj/subsystem_a.o obj/subsystem_b.o lib/libcexceptions.a -o bin/tfinaly -lm -lcexceptions
cc -g -Wall -I. -I./tests -I../cexceptions -fPIC -L../cexceptions/lib tests/programs/tsubsystems.c obj/subsystem_a.o obj/subsystem_b.o lib/libcexceptions.a -o bin/tsubsystems -lm -lcexceptions
cc -g -Wall -I. -I./tests -I../cexceptions -fPIC -L../cexceptions/lib tests/programs/tstrdupx.c obj/subsystem_a.o obj/subsystem_b.o lib/libcexceptions.a -o bin/tstrdupx -lm -lcexceptions
cc -g -Wall -I. -I./tests -I../cexceptions -fPIC -L../cexceptions/lib tests/programs/tcreallocx.c obj/subsystem_a.o obj/subsystem_b.o lib/libcexceptions.a -o bin/tcreallocx -lm -lcexceptions
make[5]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions'
make[5]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/getoptions'
cc -shared -Xlinker -soname=libgetoptions.so.0 -o lib/libgetoptions.so.0.01 obj/getoptions.o
make[5]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/getoptions'
make[4]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals'
make[4]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components'
make[5]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif'
make[5]: Nothing to be done for 'all'.
make[5]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif'
make[5]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/pycodcif'
python setup.py build --build-lib build/2
running build
running build_py
running build_ext
python setup.py build --build-lib build/2
running build
running build_py
running build_ext
tests/cases/cif_parser_test_099.inp: OK
make[5]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/pycodcif'
make[4]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components'
make[4]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib'
make[5]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5'
make[6]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD'
make[7]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/SPGLib'
make[7]: Nothing to be done for 'all'.
make[7]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/SPGLib'
make[7]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/Formulae'
make[8]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/Formulae/Parser'
make[9]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/Formulae/Parser/AdHoc'
make[9]: Nothing to be done for 'all'.
make[9]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/Formulae/Parser/AdHoc'
make[9]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/Formulae/Parser/IUCr'
make[9]: Nothing to be done for 'all'.
make[9]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/Formulae/Parser/IUCr'
make[8]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/Formulae/Parser'
make[7]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/Formulae'
make[7]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/CIF'
make[8]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/CIF/Parser'
make[9]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/CIF/Parser/Yapp'
make[9]: Nothing to be done for 'all'.
make[9]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/CIF/Parser/Yapp'
make[9]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/CIF/Parser/Bison'
make[9]: Nothing to be done for 'all'.
make[9]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/CIF/Parser/Bison'
make[8]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/CIF/Parser'
make[7]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/CIF'
make[6]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD'
make[5]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5'
make[4]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib'
make[3]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src'
make install -C src
make[3]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src'
make[4]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals'
make[5]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions'
mkdir -p /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/include
mkdir -p /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/lib
cp *.h /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/include
cp lib/libcexceptions.a lib/libcexceptions.so.0.01 /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/lib
ln -fs libcexceptions.so.0.01 /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/lib/libcexceptions.so.0
ln -fs libcexceptions.so.0   /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/lib/libcexceptions.so
make[5]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions'
make[5]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/getoptions'
mkdir -p /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/include
mkdir -p /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/lib
cp *.h /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/include
cp lib/libgetoptions.a lib/libgetoptions.so.0.01 /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/lib
ln -fs libgetoptions.so.0.01 /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/lib/libgetoptions.so.0
ln -fs libgetoptions.so.0   /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/lib/libgetoptions.so
make[5]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/getoptions'
make[4]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals'
make[4]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components'
make[5]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif'
mkdir -p /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/include
mkdir -p /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/lib
mkdir -p /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/bin
cp *.h /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/include
cp lib/libcodcif.a lib/libcodcif.so.2.2 /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/lib
cp  cifparse  cifvalues  cif_list_tags /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/bin
ln -fs libcodcif.so.2.2  /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/lib/libcodcif.so.2
ln -fs libcodcif.so.2 /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/lib/libcodcif.so
make[5]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif'
make[5]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/pycodcif'
python setup.py install --root /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr
running install
running build
running build_py
creating build/lib.linux-armv7l-2.7
creating build/lib.linux-armv7l-2.7/pycodcif
copying ./__init__.py -> build/lib.linux-armv7l-2.7/pycodcif
copying ./pycodcif.py -> build/lib.linux-armv7l-2.7/pycodcif
running build_ext
building 'pycodcif._pycodcif' extension
swigging pycodcif.i to pycodcif_wrap.c
swig -python -o pycodcif_wrap.c pycodcif.i
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/cxprintf.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/cxprintf.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/stringx.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/stringx.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/allocx.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/allocx.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/stdiox.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/stdiox.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/cexceptions.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/cexceptions.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_options.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_options.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/common.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/common.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/ciftable.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/ciftable.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif2_lexer.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif2_lexer.o
/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif2_lexer.c: In function 'pushchar':
/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif2_lexer.c:596:21: warning: format '%lu' expects argument of type 'long unsigned int', but argument 2 has type 'size_t {aka unsigned int}' [-Wformat=]
             printf( ">>> reallocating lex token buffer to %lu\n", *length );
                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~  ~~~~~~~
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cifvalue.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cifvalue.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cifmessage.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cifmessage.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_grammar_flex.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_grammar_flex.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_lexer.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_lexer.o
/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_lexer.c: In function 'pushchar':
/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_lexer.c:504:21: warning: format '%lu' expects argument of type 'long unsigned int', but argument 2 has type 'size_t {aka unsigned int}' [-Wformat=]
             printf( ">>> reallocating lex token buffer to %lu\n", *length );
                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~  ~~~~~~~
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/datablock.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/datablock.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_compiler.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_compiler.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/ciflist.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/ciflist.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_grammar.tab.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_grammar.tab.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif2_grammar.tab.c -o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif2_grammar.tab.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c pycodcif_wrap.c -o build/temp.linux-armv7l-2.7/pycodcif_wrap.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python2.7 -c pycodcif.c -o build/temp.linux-armv7l-2.7/pycodcif.o
arm-linux-gnueabihf-gcc -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -fno-strict-aliasing -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -Wdate-time -D_FORTIFY_SOURCE=2 -g -fdebug-prefix-map=/build/python2.7-eavNeJ/python2.7-2.7.15=. -fstack-protector-strong -Wformat -Werror=format-security -Wl,-z,relro -Wl,-z,now -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/cxprintf.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/stringx.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/allocx.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/stdiox.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/cexceptions.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_options.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/common.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/ciftable.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif2_lexer.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cifvalue.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cifmessage.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_grammar_flex.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_lexer.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/datablock.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_compiler.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/ciflist.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_grammar.tab.o build/temp.linux-armv7l-2.7/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif2_grammar.tab.o build/temp.linux-armv7l-2.7/pycodcif_wrap.o build/temp.linux-armv7l-2.7/pycodcif.o -o build/lib.linux-armv7l-2.7/pycodcif/_pycodcif.so
running install_lib
creating /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/usr
creating /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/usr/local
creating /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/usr/local/lib
creating /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/usr/local/lib/python2.7
creating /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/usr/local/lib/python2.7/dist-packages
creating /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/usr/local/lib/python2.7/dist-packages/pycodcif
copying build/lib.linux-armv7l-2.7/pycodcif/__init__.py -> /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/usr/local/lib/python2.7/dist-packages/pycodcif
copying build/lib.linux-armv7l-2.7/pycodcif/pycodcif.py -> /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/usr/local/lib/python2.7/dist-packages/pycodcif
copying build/lib.linux-armv7l-2.7/pycodcif/_pycodcif.so -> /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/usr/local/lib/python2.7/dist-packages/pycodcif
byte-compiling /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/usr/local/lib/python2.7/dist-packages/pycodcif/__init__.py to __init__.pyc
byte-compiling /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/usr/local/lib/python2.7/dist-packages/pycodcif/pycodcif.py to pycodcif.pyc
running install_egg_info
running egg_info
creating pycodcif.egg-info
writing pycodcif.egg-info/PKG-INFO
writing top-level names to pycodcif.egg-info/top_level.txt
writing dependency_links to pycodcif.egg-info/dependency_links.txt
writing manifest file 'pycodcif.egg-info/SOURCES.txt'
reading manifest file 'pycodcif.egg-info/SOURCES.txt'
writing manifest file 'pycodcif.egg-info/SOURCES.txt'
Copying pycodcif.egg-info to /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/usr/local/lib/python2.7/dist-packages/pycodcif-2.2.egg-info
running install_scripts
make[5]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/pycodcif'
make[4]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components'
make[4]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib'
make[5]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5'
make[6]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD'
make[7]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/SPGLib'
mkdir -p /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr//lib/arm-linux-gnueabihf/perl5/5.26/COD
mkdir -p /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr//lib/arm-linux-gnueabihf/perl5/5.26/auto/COD/SPGLib
cp lib/COD/SPGLib.pm /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr//lib/arm-linux-gnueabihf/perl5/5.26/COD
cp lib/auto/COD/SPGLib/SPGLib.so /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr//lib/arm-linux-gnueabihf/perl5/5.26/auto/COD/SPGLib
make[7]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/SPGLib'
make[7]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/Formulae'
make[8]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/Formulae/Parser'
make[9]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/Formulae/Parser/AdHoc'
mkdir -p /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/share/perl5/COD/Formulae/Parser
cp lib/COD/Formulae/Parser/AdHoc.pm /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/share/perl5/COD/Formulae/Parser
make[9]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/Formulae/Parser/AdHoc'
make[9]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/Formulae/Parser/IUCr'
mkdir -p /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/share/perl5/COD/Formulae/Parser
cp lib/COD/Formulae/Parser/IUCr.pm /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/share/perl5/COD/Formulae/Parser
make[9]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/Formulae/Parser/IUCr'
make[8]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/Formulae/Parser'
make[7]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/Formulae'
make[7]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/CIF'
make[8]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/CIF/Parser'
make[9]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/CIF/Parser/Yapp'
mkdir -p /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/share/perl5/COD/CIF/Parser
cp lib/COD/CIF/Parser/Yapp.pm /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/share/perl5/COD/CIF/Parser
make[9]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/CIF/Parser/Yapp'
make[9]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/CIF/Parser/Bison'
mkdir -p /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr//lib/arm-linux-gnueabihf/perl5/5.26/COD/CIF/Parser
mkdir -p /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr//lib/arm-linux-gnueabihf/perl5/5.26/auto/COD/CIF/Parser/Bison
cp lib/COD/CIF/Parser/Bison.pm /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr//lib/arm-linux-gnueabihf/perl5/5.26/COD/CIF/Parser
cp lib/auto/COD/CIF/Parser/Bison/Bison.so /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr//lib/arm-linux-gnueabihf/perl5/5.26/auto/COD/CIF/Parser/Bison
make[9]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/CIF/Parser/Bison'
make[8]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/CIF/Parser'
make[7]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD/CIF'
make[6]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5/COD'
make[5]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib/perl5'
make[4]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/lib'
make[3]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg/src'
test -d /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/bin || mkdir -p /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/bin
install scripts/cif-to-utf8 scripts/cif2cod scripts/cif2csv scripts/cif2json scripts/cif2rdf scripts/cif2ref scripts/cif2xyz scripts/cif_CODify scripts/cif_Fcalc scripts/cif_adjust_journal_name_volume scripts/cif_bounding_box scripts/cif_cell_contents scripts/cif_classify scripts/cif_cod_check scripts/cif_cod_deposit scripts/cif_cod_numbers scripts/cif_correct_tags scripts/cif_create_AMCSD_pressure_temp_tags scripts/cif_dictionary_tags scripts/cif_diff scripts/cif_distances scripts/cif_estimate_Z scripts/cif_eval_numbers scripts/cif_fillcell scripts/cif_filter scripts/cif_find_duplicates scripts/cif_find_symmetry scripts/cif_fix_values scripts/cif_hkl_COD_number scripts/cif_hkl_check scripts/cif_mark_disorder scripts/cif_merge scripts/cif_molecule scripts/cif_mpod_v1_to_v2 scripts/cif_mpod_v1_to_v3 scripts/cif_mpod_v2_to_v1 scripts/cif_mpod_v3_to_v1 scripts/cif_overlay scripts/cif_p1 scripts/cif_parse scripts/cif_parse_old_star scripts/cif_printout scripts/cif_reduce_Niggli scripts/cif_reduce_cell scripts/cif_reformat_AMCSD_author_names scripts/cif_reformat_pubmed_author_names scripts/cif_reformat_uppercase_author_names scripts/cif_select scripts/cif_set_value scripts/cif_sort_atoms scripts/cif_split scripts/cif_split_primitive scripts/cif_symop_apply scripts/cif_tags_in_list scripts/cif_tcod_tree scripts/cif_validate scripts/cif_values scripts/cod-tools-version scripts/cod2rdf scripts/cod_fetch scripts/cod_manage_related scripts/cod_predeposition_check scripts/codcif2sdf scripts/dic2markdown scripts/fetch_cif_dict scripts/find_numbers scripts/formula_sum scripts/json2cif scripts/molcif2sdf scripts/msg_parse scripts/oqmd2cif scripts/sdf_add_cod_data scripts/ssg3d scripts/ssg_symop_canonical scripts/ssg_symop_check scripts/ssg_symop_matrices scripts/ssg_symop_string scripts/symop_build_spacegroup scripts/utf8-to-cif /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/bin
for i in perl5/COD/SUsage.pm perl5/COD/AuthorNames.pm perl5/COD/Cell/Niggli/KG76.pm perl5/COD/Cell/Delaunay/Delaunay.pm perl5/COD/Cell/Conventional/deWG91.pm perl5/COD/Formulae/Print.pm perl5/COD/AtomNeighbours.pm perl5/COD/RDF.pm perl5/COD/UserMessage.pm perl5/COD/Overlays/Kearsley.pm perl5/COD/Overlays/Theobald.pm perl5/COD/Overlays/Kabsch.pm perl5/COD/SOptions.pm perl5/COD/CIF/Unicode2CIF.pm perl5/COD/CIF/JSON.pm perl5/COD/CIF/Parser.pm perl5/COD/CIF/Tags/AMCSD.pm perl5/COD/CIF/Tags/Merge.pm perl5/COD/CIF/Tags/TCOD.pm perl5/COD/CIF/Tags/Print.pm perl5/COD/CIF/Tags/COD.pm perl5/COD/CIF/Tags/DictTags.pm perl5/COD/CIF/Tags/Manage.pm perl5/COD/CIF/Tags/Excluded.pm perl5/COD/CIF/Tags/DFT.pm perl5/COD/CIF/Tags/CanonicalNames.pm perl5/COD/CIF/Data.pm perl5/COD/CIF/Data/Classifier.pm perl5/COD/CIF/Data/EstimateZ.pm perl5/COD/CIF/Data/CIF2COD.pm perl5/COD/CIF/Data/Check.pm perl5/COD/CIF/Data/ExcludeFromStatistics.pm perl5/COD/CIF/Data/CellContents.pm perl5/COD/CIF/Data/AtomList.pm perl5/COD/CIF/Data/Diff.pm perl5/COD/CIF/Data/CODPredepositionCheck.pm perl5/COD/CIF/Data/SymmetryGenerator.pm perl5/COD/CIF/Data/CODFlags.pm perl5/COD/CIF/Data/CODNumbers.pm perl5/COD/CIF/DDL/Ranges.pm perl5/COD/Algebra.pm perl5/COD/AtomProperties.pm perl5/COD/Cell.pm perl5/COD/DateTime.pm perl5/COD/Precision.pm perl5/COD/Escape.pm perl5/COD/Fractional.pm perl5/COD/AtomBricks.pm perl5/COD/CromerMann.pm perl5/COD/Spacegroups/Symop/SSGParse.pm perl5/COD/Spacegroups/Symop/Parse.pm perl5/COD/Spacegroups/Symop/Algebra.pm perl5/COD/Spacegroups/Lookup/CCP4.pm perl5/COD/Spacegroups/Lookup/COD.pm perl5/COD/Spacegroups/Builder.pm perl5/COD/Spacegroups/Names.pm perl5/COD/Spacegroups/Lookup.pm perl5/COD/Spacegroups/Cosets.pm perl5/COD/ErrorHandler.pm perl5/COD/ShowStruct.pm perl5/COD/Algebra/JacobiEigenSimple.pm perl5/COD/Algebra/Vector.pm perl5/COD/Algebra/JacobiEigen.pm perl5/COD/MorganFingerprints.pm perl5/COD/Serialise.pm perl5/COD/ToolsVersion.pm; \
do \
	test -d /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/share/$(dirname $i) \
		|| mkdir -p /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/share/$(dirname $i); \
	install --mode 644 src/lib/$i /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/share/$i; \
done
make[2]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg'
(cd src/components/pycodcif; python setup.py install --root /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/python-pycodcif)
running install
running build
running build_py
copying ./pycodcif.py -> build/lib.linux-armv7l-2.7/pycodcif
running build_ext
running install_lib
creating /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/python-pycodcif/usr
creating /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/python-pycodcif/usr/local
creating /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/python-pycodcif/usr/local/lib
creating /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/python-pycodcif/usr/local/lib/python2.7
creating /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/python-pycodcif/usr/local/lib/python2.7/dist-packages
creating /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/python-pycodcif/usr/local/lib/python2.7/dist-packages/pycodcif
copying build/lib.linux-armv7l-2.7/pycodcif/__init__.py -> /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/python-pycodcif/usr/local/lib/python2.7/dist-packages/pycodcif
copying build/lib.linux-armv7l-2.7/pycodcif/_pycodcif.so -> /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/python-pycodcif/usr/local/lib/python2.7/dist-packages/pycodcif
copying build/lib.linux-armv7l-2.7/pycodcif/pycodcif.py -> /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/python-pycodcif/usr/local/lib/python2.7/dist-packages/pycodcif
byte-compiling /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/python-pycodcif/usr/local/lib/python2.7/dist-packages/pycodcif/__init__.py to __init__.pyc
byte-compiling /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/python-pycodcif/usr/local/lib/python2.7/dist-packages/pycodcif/pycodcif.py to pycodcif.pyc
running install_egg_info
running egg_info
writing pycodcif.egg-info/PKG-INFO
writing top-level names to pycodcif.egg-info/top_level.txt
writing dependency_links to pycodcif.egg-info/dependency_links.txt
reading manifest file 'pycodcif.egg-info/SOURCES.txt'
writing manifest file 'pycodcif.egg-info/SOURCES.txt'
Copying pycodcif.egg-info to /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/python-pycodcif/usr/local/lib/python2.7/dist-packages/pycodcif-2.2.egg-info
running install_scripts
(cd src/components/pycodcif; python3 setup.py install --root /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/python3-pycodcif)
running install
running build
running build_py
creating build/lib.linux-armv7l-3.6
creating build/lib.linux-armv7l-3.6/pycodcif
copying ./__init__.py -> build/lib.linux-armv7l-3.6/pycodcif
copying ./pycodcif.py -> build/lib.linux-armv7l-3.6/pycodcif
running build_ext
building 'pycodcif._pycodcif' extension
swigging pycodcif.i to pycodcif_wrap.c
swig -python -o pycodcif_wrap.c pycodcif.i
creating build/temp.linux-armv7l-3.6
creating build/temp.linux-armv7l-3.6/build
creating build/temp.linux-armv7l-3.6/<<BUILDDIR>>
creating build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg
creating build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src
creating build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals
creating build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions
creating build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components
creating build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python3.6m -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/cxprintf.c -o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/cxprintf.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python3.6m -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/stringx.c -o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/stringx.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python3.6m -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/allocx.c -o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/allocx.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python3.6m -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/stdiox.c -o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/stdiox.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python3.6m -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/cexceptions.c -o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/cexceptions.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python3.6m -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_options.c -o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_options.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python3.6m -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/common.c -o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/common.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python3.6m -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/ciftable.c -o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/ciftable.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python3.6m -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif2_lexer.c -o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif2_lexer.o
/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif2_lexer.c: In function 'pushchar':
/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif2_lexer.c:596:21: warning: format '%lu' expects argument of type 'long unsigned int', but argument 2 has type 'size_t {aka unsigned int}' [-Wformat=]
             printf( ">>> reallocating lex token buffer to %lu\n", *length );
                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~  ~~~~~~~
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python3.6m -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cifvalue.c -o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cifvalue.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python3.6m -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cifmessage.c -o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cifmessage.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python3.6m -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_grammar_flex.c -o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_grammar_flex.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python3.6m -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_lexer.c -o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_lexer.o
/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_lexer.c: In function 'pushchar':
/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_lexer.c:504:21: warning: format '%lu' expects argument of type 'long unsigned int', but argument 2 has type 'size_t {aka unsigned int}' [-Wformat=]
             printf( ">>> reallocating lex token buffer to %lu\n", *length );
                     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~  ~~~~~~~
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python3.6m -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif.c -o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python3.6m -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/datablock.c -o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/datablock.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python3.6m -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_compiler.c -o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_compiler.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python3.6m -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/ciflist.c -o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/ciflist.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python3.6m -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_grammar.tab.c -o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_grammar.tab.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python3.6m -c /<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif2_grammar.tab.c -o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif2_grammar.tab.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python3.6m -c pycodcif_wrap.c -o build/temp.linux-armv7l-3.6/pycodcif_wrap.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions -I/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif -I/usr/include/python3.6m -c pycodcif.c -o build/temp.linux-armv7l-3.6/pycodcif.o
pycodcif.c: In function 'is_option_set':
pycodcif.c:25:44: warning: implicit declaration of function 'PyString_FromString'; did you mean 'PyLong_FromString'? [-Wimplicit-function-declaration]
                                            PyString_FromString( optname ) );
                                            ^~~~~~~~~~~~~~~~~~~
                                            PyLong_FromString
pycodcif.c:25:44: warning: passing argument 2 of 'PyDict_GetItem' makes pointer from integer without a cast [-Wint-conversion]
In file included from /usr/include/python3.6m/Python.h:90:0,
                 from pycodcif.c:1:
/usr/include/python3.6m/dictobject.h:70:24: note: expected 'PyObject * {aka struct _object *}' but argument is of type 'int'
 PyAPI_FUNC(PyObject *) PyDict_GetItem(PyObject *mp, PyObject *key);
                        ^~~~~~~~~~~~~~
pycodcif.c:29:18: warning: implicit declaration of function 'PyInt_AsLong'; did you mean 'PyLong_AsLong'? [-Wimplicit-function-declaration]
         return ( PyInt_AsLong( value_ref ) > 0 ) ? 1 : 0;
                  ^~~~~~~~~~~~
                  PyLong_AsLong
pycodcif.c: In function 'PyDict_PutString':
pycodcif.c:35:42: warning: passing argument 3 of 'PyDict_SetItemString' makes pointer from integer without a cast [-Wint-conversion]
         PyDict_SetItemString( dict, key, PyString_FromString( value ) );
                                          ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/python3.6m/Python.h:90:0,
                 from pycodcif.c:1:
/usr/include/python3.6m/dictobject.h:160:17: note: expected 'PyObject * {aka struct _object *}' but argument is of type 'int'
 PyAPI_FUNC(int) PyDict_SetItemString(PyObject *dp, const char *key, PyObject *item);
                 ^~~~~~~~~~~~~~~~~~~~
pycodcif.c: In function 'extract_value':
pycodcif.c:66:23: warning: assignment makes pointer from integer without a cast [-Wint-conversion]
             extracted = PyString_FromString( value_scalar( cifvalue ) );
                       ^
pycodcif.c: In function 'extract_type':
pycodcif.c:96:23: warning: assignment makes pointer from integer without a cast [-Wint-conversion]
             extracted = PyString_FromString( "INT" ); break;
                       ^
pycodcif.c:98:23: warning: assignment makes pointer from integer without a cast [-Wint-conversion]
             extracted = PyString_FromString( "FLOAT" ); break;
                       ^
pycodcif.c:100:23: warning: assignment makes pointer from integer without a cast [-Wint-conversion]
             extracted = PyString_FromString( "SQSTRING" ); break;
                       ^
pycodcif.c:102:23: warning: assignment makes pointer from integer without a cast [-Wint-conversion]
             extracted = PyString_FromString( "DQSTRING" ); break;
                       ^
pycodcif.c:104:23: warning: assignment makes pointer from integer without a cast [-Wint-conversion]
             extracted = PyString_FromString( "UQSTRING" ); break;
                       ^
pycodcif.c:106:23: warning: assignment makes pointer from integer without a cast [-Wint-conversion]
             extracted = PyString_FromString( "TEXTFIELD" ); break;
                       ^
pycodcif.c:108:23: warning: assignment makes pointer from integer without a cast [-Wint-conversion]
             extracted = PyString_FromString( "SQ3STRING" ); break;
                       ^
pycodcif.c:110:23: warning: assignment makes pointer from integer without a cast [-Wint-conversion]
             extracted = PyString_FromString( "DQ3STRING" ); break;
                       ^
pycodcif.c:112:23: warning: assignment makes pointer from integer without a cast [-Wint-conversion]
             extracted = PyString_FromString( "UNKNOWN" );
                       ^
pycodcif.c: In function 'convert_datablock':
pycodcif.c:194:33: warning: passing argument 2 of 'PyList_Append' makes pointer from integer without a cast [-Wint-conversion]
         PyList_Append( taglist, PyString_FromString( tags[i] ) );
                                 ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/python3.6m/Python.h:89:0,
                 from pycodcif.c:1:
/usr/include/python3.6m/listobject.h:57:17: note: expected 'PyObject * {aka struct _object *}' but argument is of type 'int'
 PyAPI_FUNC(int) PyList_Append(PyObject *, PyObject *);
                 ^~~~~~~~~~~~~
pycodcif.c:208:52: warning: implicit declaration of function 'PyInt_FromLong'; did you mean 'PyLong_FromLong'? [-Wimplicit-function-declaration]
             PyDict_SetItemString( loopid, tags[i], PyInt_FromLong( inloop[i] ) );
                                                    ^~~~~~~~~~~~~~
                                                    PyLong_FromLong
pycodcif.c:208:52: warning: passing argument 3 of 'PyDict_SetItemString' makes pointer from integer without a cast [-Wint-conversion]
In file included from /usr/include/python3.6m/Python.h:90:0,
                 from pycodcif.c:1:
/usr/include/python3.6m/dictobject.h:160:17: note: expected 'PyObject * {aka struct _object *}' but argument is of type 'int'
 PyAPI_FUNC(int) PyDict_SetItemString(PyObject *dp, const char *key, PyObject *item);
                 ^~~~~~~~~~~~~~~~~~~~
pycodcif.c:210:42: warning: passing argument 2 of 'PyList_Append' makes pointer from integer without a cast [-Wint-conversion]
             PyList_Append( current_loop, PyString_FromString( tags[i] ) );
                                          ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/python3.6m/Python.h:89:0,
                 from pycodcif.c:1:
/usr/include/python3.6m/listobject.h:57:17: note: expected 'PyObject * {aka struct _object *}' but argument is of type 'int'
 PyAPI_FUNC(int) PyList_Append(PyObject *, PyObject *);
                 ^~~~~~~~~~~~~
pycodcif.c: In function 'parse_cif':
pycodcif.c:272:35: warning: passing argument 3 of 'PyDict_SetItemString' makes pointer from integer without a cast [-Wint-conversion]
                                   PyInt_FromLong( major_version ) );
                                   ^~~~~~~~~~~~~~
In file included from /usr/include/python3.6m/Python.h:90:0,
                 from pycodcif.c:1:
/usr/include/python3.6m/dictobject.h:160:17: note: expected 'PyObject * {aka struct _object *}' but argument is of type 'int'
 PyAPI_FUNC(int) PyDict_SetItemString(PyObject *dp, const char *key, PyObject *item);
                 ^~~~~~~~~~~~~~~~~~~~
pycodcif.c:274:35: warning: passing argument 3 of 'PyDict_SetItemString' makes pointer from integer without a cast [-Wint-conversion]
                                   PyInt_FromLong( minor_version ) );
                                   ^~~~~~~~~~~~~~
In file included from /usr/include/python3.6m/Python.h:90:0,
                 from pycodcif.c:1:
/usr/include/python3.6m/dictobject.h:160:17: note: expected 'PyObject * {aka struct _object *}' but argument is of type 'int'
 PyAPI_FUNC(int) PyDict_SetItemString(PyObject *dp, const char *key, PyObject *item);
                 ^~~~~~~~~~~~~~~~~~~~
pycodcif.c:289:39: warning: passing argument 3 of 'PyDict_SetItemString' makes pointer from integer without a cast [-Wint-conversion]
                                       PyInt_FromLong( lineno ) );
                                       ^~~~~~~~~~~~~~
In file included from /usr/include/python3.6m/Python.h:90:0,
                 from pycodcif.c:1:
/usr/include/python3.6m/dictobject.h:160:17: note: expected 'PyObject * {aka struct _object *}' but argument is of type 'int'
 PyAPI_FUNC(int) PyDict_SetItemString(PyObject *dp, const char *key, PyObject *item);
                 ^~~~~~~~~~~~~~~~~~~~
pycodcif.c:293:39: warning: passing argument 3 of 'PyDict_SetItemString' makes pointer from integer without a cast [-Wint-conversion]
                                       PyInt_FromLong( columnno ) );
                                       ^~~~~~~~~~~~~~
In file included from /usr/include/python3.6m/Python.h:90:0,
                 from pycodcif.c:1:
/usr/include/python3.6m/dictobject.h:160:17: note: expected 'PyObject * {aka struct _object *}' but argument is of type 'int'
 PyAPI_FUNC(int) PyDict_SetItemString(PyObject *dp, const char *key, PyObject *item);
                 ^~~~~~~~~~~~~~~~~~~~
pycodcif.c:322:43: warning: passing argument 3 of 'PyDict_SetItemString' makes pointer from integer without a cast [-Wint-conversion]
     PyDict_SetItemString( ret, "nerrors", PyInt_FromLong( nerrors ) );
                                           ^~~~~~~~~~~~~~
In file included from /usr/include/python3.6m/Python.h:90:0,
                 from pycodcif.c:1:
/usr/include/python3.6m/dictobject.h:160:17: note: expected 'PyObject * {aka struct _object *}' but argument is of type 'int'
 PyAPI_FUNC(int) PyDict_SetItemString(PyObject *dp, const char *key, PyObject *item);
                 ^~~~~~~~~~~~~~~~~~~~
arm-linux-gnueabihf-gcc -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,relro -Wl,-z,now -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.2+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/cxprintf.o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/stringx.o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/allocx.o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/stdiox.o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/externals/cexceptions/cexceptions.o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_options.o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/common.o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/ciftable.o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif2_lexer.o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cifvalue.o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cifmessage.o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_grammar_flex.o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_lexer.o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif.o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/datablock.o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_compiler.o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/ciflist.o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif_grammar.tab.o build/temp.linux-armv7l-3.6/<<BUILDDIR>>/cod-tools-2.2+dfsg/src/components/codcif/cif2_grammar.tab.o build/temp.linux-armv7l-3.6/pycodcif_wrap.o build/temp.linux-armv7l-3.6/pycodcif.o -o build/lib.linux-armv7l-3.6/pycodcif/_pycodcif.cpython-36m-arm-linux-gnueabihf.so
running install_lib
creating /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/python3-pycodcif/usr
creating /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/python3-pycodcif/usr/local
creating /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/python3-pycodcif/usr/local/lib
creating /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/python3-pycodcif/usr/local/lib/python3.6
creating /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/python3-pycodcif/usr/local/lib/python3.6/dist-packages
creating /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/python3-pycodcif/usr/local/lib/python3.6/dist-packages/pycodcif
copying build/lib.linux-armv7l-3.6/pycodcif/__init__.py -> /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/python3-pycodcif/usr/local/lib/python3.6/dist-packages/pycodcif
copying build/lib.linux-armv7l-3.6/pycodcif/pycodcif.py -> /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/python3-pycodcif/usr/local/lib/python3.6/dist-packages/pycodcif
copying build/lib.linux-armv7l-3.6/pycodcif/_pycodcif.cpython-36m-arm-linux-gnueabihf.so -> /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/python3-pycodcif/usr/local/lib/python3.6/dist-packages/pycodcif
byte-compiling /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/python3-pycodcif/usr/local/lib/python3.6/dist-packages/pycodcif/__init__.py to __init__.cpython-36.pyc
byte-compiling /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/python3-pycodcif/usr/local/lib/python3.6/dist-packages/pycodcif/pycodcif.py to pycodcif.cpython-36.pyc
running install_egg_info
running egg_info
writing pycodcif.egg-info/PKG-INFO
writing dependency_links to pycodcif.egg-info/dependency_links.txt
writing top-level names to pycodcif.egg-info/top_level.txt
reading manifest file 'pycodcif.egg-info/SOURCES.txt'
writing manifest file 'pycodcif.egg-info/SOURCES.txt'
Copying pycodcif.egg-info to /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/python3-pycodcif/usr/local/lib/python3.6/dist-packages/pycodcif-2.2.egg-info
running install_scripts
make[1]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg'
   debian/rules override_dh_install
make[1]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg'
for TPL in debian/templates/*; \
do sed -e "s@##DEB_HOST_MULTIARCH##@arm-linux-gnueabihf@g" \
	${TPL} > debian/$(basename ${TPL}); \
done
rm /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/tmp/usr/bin/cif_parse_old_star doc/man/cif_parse_old_star.1
dh_install
rm -rf /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/cod-tools/usr/share/perl5/COD/CIF/Parser
rm /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/cod-tools/usr/share/perl5/COD/Precision.pm
rm /<<BUILDDIR>>/cod-tools-2.2+dfsg/debian/cod-tools/usr/share/perl5/COD/UserMessage.pm
make[1]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg'
   dh_installdocs -a -O--no-parallel
   debian/rules override_dh_installchangelogs
make[1]: Entering directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg'
dh_installchangelogs CHANGELOG
make[1]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.2+dfsg'
   dh_installman -a -O--no-parallel
   dh_python2 -a -O--no-parallel
I: dh_python2 fs:322: renaming _pycodcif.so to _pycodcif.arm-linux-gnueabihf.so
   dh_python3 -a -O--no-parallel
   dh_perl -a -O--no-parallel
   dh_link -a -O--no-parallel
   dh_strip_nondeterminism -a -O--no-parallel
   dh_compress -a -O--no-parallel
   dh_fixperms -a -O--no-parallel
   dh_missing -a -O--no-parallel
   dh_strip -a -O--no-parallel
   dh_makeshlibs -a -O--no-parallel
   dh_shlibdeps -a -O--no-parallel
dpkg-shlibdeps: warning: symbol callocx used by debian/libcodcif2/usr/lib/arm-linux-gnueabihf/libcodcif.so.2.2 found in none of the libraries
dpkg-shlibdeps: warning: symbol freex used by debian/libcodcif2/usr/lib/arm-linux-gnueabihf/libcodcif.so.2.2 found in none of the libraries
dpkg-shlibdeps: warning: symbol cxprintf used by debian/libcodcif2/usr/lib/arm-linux-gnueabihf/libcodcif.so.2.2 found in none of the libraries
dpkg-shlibdeps: warning: symbol cexception_message used by debian/libcodcif2/usr/lib/arm-linux-gnueabihf/libcodcif.so.2.2 found in none of the libraries
dpkg-shlibdeps: warning: symbol fclosex used by debian/libcodcif2/usr/lib/arm-linux-gnueabihf/libcodcif.so.2.2 found in none of the libraries
dpkg-shlibdeps: warning: symbol reallocx used by debian/libcodcif2/usr/lib/arm-linux-gnueabihf/libcodcif.so.2.2 found in none of the libraries
dpkg-shlibdeps: warning: symbol strdupx used by debian/libcodcif2/usr/lib/arm-linux-gnueabihf/libcodcif.so.2.2 found in none of the libraries
dpkg-shlibdeps: warning: symbol progname used by debian/libcodcif2/usr/lib/arm-linux-gnueabihf/libcodcif.so.2.2 found in none of the libraries
dpkg-shlibdeps: warning: symbol cexception_reraise used by debian/libcodcif2/usr/lib/arm-linux-gnueabihf/libcodcif.so.2.2 found in none of the libraries
dpkg-shlibdeps: warning: symbol cexception_syserror used by debian/libcodcif2/usr/lib/arm-linux-gnueabihf/libcodcif.so.2.2 found in none of the libraries
dpkg-shlibdeps: warning: 4 other similar warnings have been skipped (use -v to see them all)
dpkg-shlibdeps: warning: symbol reallocx used by debian/libgetoptions0/usr/lib/arm-linux-gnueabihf/libgetoptions.so.0.01 found in none of the libraries
dpkg-shlibdeps: warning: symbol cxprintf used by debian/libgetoptions0/usr/lib/arm-linux-gnueabihf/libgetoptions.so.0.01 found in none of the libraries
dpkg-shlibdeps: warning: symbol cexception_raise_at used by debian/libgetoptions0/usr/lib/arm-linux-gnueabihf/libgetoptions.so.0.01 found in none of the libraries
dpkg-shlibdeps: warning: symbol cexception_reraise used by debian/libgetoptions0/usr/lib/arm-linux-gnueabihf/libgetoptions.so.0.01 found in none of the libraries
dpkg-shlibdeps: warning: symbol callocx used by debian/libgetoptions0/usr/lib/arm-linux-gnueabihf/libgetoptions.so.0.01 found in none of the libraries
   dh_installdeb -a -O--no-parallel
   dh_gencontrol -a -O--no-parallel
   dh_md5sums -a -O--no-parallel
   dh_builddeb -a -O--no-parallel
dpkg-deb: building package 'libcexceptions0' in '../libcexceptions0_2.2+dfsg-2_armhf.deb'.
dpkg-deb: building package 'libgetoptions-dev' in '../libgetoptions-dev_2.2+dfsg-2_armhf.deb'.
dpkg-deb: building package 'libcod-cif-parser-bison-perl-dbgsym' in '../libcod-cif-parser-bison-perl-dbgsym_2.2+dfsg-2_armhf.deb'.
dpkg-deb: building package 'cod-tools' in '../cod-tools_2.2+dfsg-2_armhf.deb'.
dpkg-deb: building package 'libcexceptions0-dbgsym' in '../libcexceptions0-dbgsym_2.2+dfsg-2_armhf.deb'.
dpkg-deb: building package 'libcodcif2' in '../libcodcif2_2.2+dfsg-2_armhf.deb'.
dpkg-deb: building package 'libcexceptions-dev' in '../libcexceptions-dev_2.2+dfsg-2_armhf.deb'.
dpkg-deb: building package 'python-pycodcif' in '../python-pycodcif_2.2+dfsg-2_armhf.deb'.
dpkg-deb: building package 'libcodcif2-dbgsym' in '../libcodcif2-dbgsym_2.2+dfsg-2_armhf.deb'.
dpkg-deb: building package 'libgetoptions0' in '../libgetoptions0_2.2+dfsg-2_armhf.deb'.
dpkg-deb: building package 'libgetoptions0-dbgsym' in '../libgetoptions0-dbgsym_2.2+dfsg-2_armhf.deb'.
dpkg-deb: building package 'python-pycodcif-dbgsym' in '../python-pycodcif-dbgsym_2.2+dfsg-2_armhf.deb'.
dpkg-deb: building package 'libcodcif-dev' in '../libcodcif-dev_2.2+dfsg-2_armhf.deb'.
dpkg-deb: building package 'python3-pycodcif' in '../python3-pycodcif_2.2+dfsg-2_armhf.deb'.
dpkg-deb: building package 'libcod-cif-parser-bison-perl' in '../libcod-cif-parser-bison-perl_2.2+dfsg-2_armhf.deb'.
dpkg-deb: building package 'python3-pycodcif-dbgsym' in '../python3-pycodcif-dbgsym_2.2+dfsg-2_armhf.deb'.
dpkg-deb: building package 'cod-tools-dbgsym' in '../cod-tools-dbgsym_2.2+dfsg-2_armhf.deb'.
 dpkg-genbuildinfo --build=any
 dpkg-genchanges --build=any -mRaspbian wandboard test autobuilder <root@raspbian.org> >../cod-tools_2.2+dfsg-2_armhf.changes
dpkg-genchanges: info: binary-only arch-specific upload (source code and arch-indep packages not included)
 dpkg-source --after-build cod-tools-2.2+dfsg
dpkg-buildpackage: info: binary-only upload (no source included)
--------------------------------------------------------------------------------
Build finished at 2018-07-15T16:13:51Z

Finished
--------

I: Built successfully

+------------------------------------------------------------------------------+
| Post Build Chroot                                                            |
+------------------------------------------------------------------------------+


+------------------------------------------------------------------------------+
| Changes                                                                      |
+------------------------------------------------------------------------------+


cod-tools_2.2+dfsg-2_armhf.changes:
-----------------------------------

Format: 1.8
Date: Fri, 13 Jul 2018 02:51:52 -0400
Source: cod-tools
Binary: libcexceptions0 libcexceptions-dev libgetoptions0 libgetoptions-dev libcodcif2 libcodcif-dev libcod-precision-perl libcod-usermessage-perl libcod-cif-parser-bison-perl libcod-cif-parser-yapp-perl python-pycodcif python3-pycodcif cod-tools
Architecture: armhf
Version: 2.2+dfsg-2
Distribution: buster-staging
Urgency: medium
Maintainer: Raspbian wandboard test autobuilder <root@raspbian.org>
Changed-By: Andrius Merkys <andrius.merkys@gmail.com>
Description:
 cod-tools  - tools for manipulating CIF format files
 libcexceptions-dev - C exception handling library (development files)
 libcexceptions0 - C exception handling library
 libcod-cif-parser-bison-perl - error-correcting CIF parser - Perl bindings
 libcod-cif-parser-yapp-perl - error-correcting CIF parser - pure Perl implementation
 libcod-precision-perl - COD precision handling module for Perl language
 libcod-usermessage-perl - COD message formatting module for Perl language
 libcodcif-dev - error-correcting CIF parser - headers and static libraries
 libcodcif2 - error-correcting CIF parser - shared library
 libgetoptions-dev - Command line argument processing library for C (development files
 libgetoptions0 - Command line argument processing library for C
 python-pycodcif - error-correcting CIF parser - Python bindings
 python3-pycodcif - error-correcting CIF parser - Python3 bindings
Closes: 903666 903689
Changes:
 cod-tools (2.2+dfsg-2) unstable; urgency=medium
 .
   * debian/control: adding missing dependencies (Closes: #903666).
   * debian/control: putting test dependencies into build dependencies, as
     tests are run during the build process (Closes: #903689).
   * debian/control: placing dependencies one per line.
   * debian/tests/upstream: bypassing locale-dependent tests.
   * debian/tests/upstream: fixing incorrect test path.
   * Moving templates of *.install and *.links files to debian/template/;
     preparing the build system to clean after the build.
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 879889e3bb25b47e8666b54ffdb6ae73 18524 libs optional libgetoptions0_2.2+dfsg-2_armhf.deb
 7ee8d379f7f29c5ab442fb61a1c5df61 124872 debug optional python-pycodcif-dbgsym_2.2+dfsg-2_armhf.deb
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+------------------------------------------------------------------------------+
| Package contents                                                             |
+------------------------------------------------------------------------------+


cod-tools-dbgsym_2.2+dfsg-2_armhf.deb
-------------------------------------

 new Debian package, version 2.0.
 size 330508 bytes: control archive=708 bytes.
     514 bytes,    12 lines      control              
     424 bytes,     4 lines      md5sums              
 Package: cod-tools-dbgsym
 Source: cod-tools
 Version: 2.2+dfsg-2
 Auto-Built-Package: debug-symbols
 Architecture: armhf
 Maintainer: Debian Science Maintainers <debian-science-maintainers@lists.alioth.debian.org>
 Installed-Size: 421
 Depends: cod-tools (= 2.2+dfsg-2)
 Section: debug
 Priority: optional
 Description: debug symbols for cod-tools
 Build-Ids: 0c06b4baa17406b6eeaa814d27947ad2e936e478 10d9a919a4ac8d520d43f379e4421aa17165a138 46e56c8aa3ee8e24d579d14e116d9ee0269a314a 6c678c72bf48affc0c7de2cfbffa63964505c4e9

drwxr-xr-x root/root         0 2018-07-13 06:51 ./
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/debug/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/debug/.build-id/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/debug/.build-id/0c/
-rw-r--r-- root/root    120728 2018-07-13 06:51 ./usr/lib/debug/.build-id/0c/06b4baa17406b6eeaa814d27947ad2e936e478.debug
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/debug/.build-id/10/
-rw-r--r-- root/root    121576 2018-07-13 06:51 ./usr/lib/debug/.build-id/10/d9a919a4ac8d520d43f379e4421aa17165a138.debug
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/debug/.build-id/46/
-rw-r--r-- root/root    122324 2018-07-13 06:51 ./usr/lib/debug/.build-id/46/e56c8aa3ee8e24d579d14e116d9ee0269a314a.debug
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/debug/.build-id/6c/
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drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/doc/
lrwxrwxrwx root/root         0 2018-07-13 06:51 ./usr/share/doc/cod-tools-dbgsym -> cod-tools


cod-tools_2.2+dfsg-2_armhf.deb
------------------------------

 new Debian package, version 2.0.
 size 402484 bytes: control archive=6728 bytes.
     948 bytes,    13 lines      control              
   15884 bytes,   234 lines      md5sums              
 Package: cod-tools
 Version: 2.2+dfsg-2
 Architecture: armhf
 Maintainer: Debian Science Maintainers <debian-science-maintainers@lists.alioth.debian.org>
 Installed-Size: 2984
 Depends: curl, gawk, libcapture-tiny-perl, libcarp-assert-perl, libclone-perl, libcod-cif-parser-bison-perl, libcod-cif-parser-yapp-perl, libcod-precision-perl, libcod-usermessage-perl, libdate-calc-perl, libdatetime-format-rfc3339-perl, libdbd-mysql-perl, libdbd-sqlite3-perl, libdbi-perl, libdigest-sha-perl, libhtml-parser-perl, libjson-perl, liblist-moreutils-perl, libwww-curl-perl, libxml-simple-perl, openbabel, perl (>= 5.26.2-6), perlapi-5.26.2, libc6 (>= 2.7), libsymspg1 (>= 1.10.3)
 Section: science
 Priority: optional
 Homepage: http://wiki.crystallography.net/cod-tools
 Description: tools for manipulating CIF format files
  cod-tools is a set of Perl modules and command line tools for
  manipulating Crystallographic Information Format (CIF) v1.1 and v2.0
  files.

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-rwxr-xr-x root/root     14592 2018-07-13 06:51 ./usr/bin/cif2cod
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-rwxr-xr-x root/root      6728 2018-07-13 06:51 ./usr/bin/cif_bounding_box
-rwxr-xr-x root/root      7916 2018-07-13 06:51 ./usr/bin/cif_cell_contents
-rwxr-xr-x root/root      3666 2018-07-13 06:51 ./usr/bin/cif_classify
-rwxr-xr-x root/root     39960 2018-07-13 06:51 ./usr/bin/cif_cod_check
-rwxr-xr-x root/root     17684 2018-07-13 06:51 ./usr/bin/cif_cod_deposit
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-rwxr-xr-x root/root     15364 2018-07-13 06:51 ./usr/bin/cif_find_symmetry
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-rwxr-xr-x root/root     95916 2018-07-13 06:51 ./usr/bin/cif_list_tags
-rwxr-xr-x root/root     23470 2018-07-13 06:51 ./usr/bin/cif_mark_disorder
-rwxr-xr-x root/root      5516 2018-07-13 06:51 ./usr/bin/cif_merge
-rwxr-xr-x root/root     85473 2018-07-13 06:51 ./usr/bin/cif_molecule
-rwxr-xr-x root/root      9892 2018-07-13 06:51 ./usr/bin/cif_mpod_v1_to_v2
-rwxr-xr-x root/root     13263 2018-07-13 06:51 ./usr/bin/cif_mpod_v1_to_v3
-rwxr-xr-x root/root      7926 2018-07-13 06:51 ./usr/bin/cif_mpod_v2_to_v1
-rwxr-xr-x root/root     10698 2018-07-13 06:51 ./usr/bin/cif_mpod_v3_to_v1
-rwxr-xr-x root/root      8613 2018-07-13 06:51 ./usr/bin/cif_overlay
-rwxr-xr-x root/root     55464 2018-07-13 06:51 ./usr/bin/cif_p1
-rwxr-xr-x root/root      2387 2018-07-13 06:51 ./usr/bin/cif_parse
-rwxr-xr-x root/root      5383 2018-07-13 06:51 ./usr/bin/cif_printout
-rwxr-xr-x root/root      8798 2018-07-13 06:51 ./usr/bin/cif_reduce_Niggli
-rwxr-xr-x root/root      7822 2018-07-13 06:51 ./usr/bin/cif_reduce_cell
-rwxr-xr-x root/root      4373 2018-07-13 06:51 ./usr/bin/cif_reformat_AMCSD_author_names
-rwxr-xr-x root/root      7029 2018-07-13 06:51 ./usr/bin/cif_reformat_pubmed_author_names
-rwxr-xr-x root/root      3679 2018-07-13 06:51 ./usr/bin/cif_reformat_uppercase_author_names
-rwxr-xr-x root/root      8028 2018-07-13 06:51 ./usr/bin/cif_select
-rwxr-xr-x root/root      2883 2018-07-13 06:51 ./usr/bin/cif_set_value
-rwxr-xr-x root/root      5555 2018-07-13 06:51 ./usr/bin/cif_sort_atoms
-rwxr-xr-x root/root     10297 2018-07-13 06:51 ./usr/bin/cif_split
-rwxr-xr-x root/root      5150 2018-07-13 06:51 ./usr/bin/cif_split_primitive
-rwxr-xr-x root/root      3979 2018-07-13 06:51 ./usr/bin/cif_symop_apply
-rwxr-xr-x root/root      2819 2018-07-13 06:51 ./usr/bin/cif_tags_in_list
-rwxr-xr-x root/root     10632 2018-07-13 06:51 ./usr/bin/cif_tcod_tree
-rwxr-xr-x root/root     30807 2018-07-13 06:51 ./usr/bin/cif_validate
-rwxr-xr-x root/root      9540 2018-07-13 06:51 ./usr/bin/cif_values
-rwxr-xr-x root/root    100432 2018-07-13 06:51 ./usr/bin/cifparse
-rwxr-xr-x root/root     95976 2018-07-13 06:51 ./usr/bin/cifvalues
-rwxr-xr-x root/root       456 2018-07-13 06:51 ./usr/bin/cod-tools-version
-rwxr-xr-x root/root     14626 2018-07-13 06:51 ./usr/bin/cod2rdf
-rwxr-xr-x root/root      2472 2018-07-13 06:51 ./usr/bin/cod_fetch
-rwxr-xr-x root/root     12101 2018-07-13 06:51 ./usr/bin/cod_manage_related
-rwxr-xr-x root/root      9346 2018-07-13 06:51 ./usr/bin/cod_predeposition_check
-rwxr-xr-x root/root      3371 2018-07-13 06:51 ./usr/bin/codcif2sdf
-rwxr-xr-x root/root     12042 2018-07-13 06:51 ./usr/bin/dic2markdown
-rwxr-xr-x root/root      9577 2018-07-13 06:51 ./usr/bin/fetch_cif_dict
-rwxr-xr-x root/root      6049 2018-07-13 06:51 ./usr/bin/find_numbers
-rwxr-xr-x root/root      1317 2018-07-13 06:51 ./usr/bin/formula_sum
-rwxr-xr-x root/root      4858 2018-07-13 06:51 ./usr/bin/json2cif
-rwxr-xr-x root/root      4885 2018-07-13 06:51 ./usr/bin/molcif2sdf
-rwxr-xr-x root/root      3666 2018-07-13 06:51 ./usr/bin/msg_parse
-rwxr-xr-x root/root     17251 2018-07-13 06:51 ./usr/bin/oqmd2cif
-rwxr-xr-x root/root      4239 2018-07-13 06:51 ./usr/bin/sdf_add_cod_data
-rwxr-xr-x root/root      2663 2018-07-13 06:51 ./usr/bin/ssg3d
-rwxr-xr-x root/root      1327 2018-07-13 06:51 ./usr/bin/ssg_symop_canonical
-rwxr-xr-x root/root      1404 2018-07-13 06:51 ./usr/bin/ssg_symop_check
-rwxr-xr-x root/root      1725 2018-07-13 06:51 ./usr/bin/ssg_symop_matrices
-rwxr-xr-x root/root      2004 2018-07-13 06:51 ./usr/bin/ssg_symop_string
-rwxr-xr-x root/root      2050 2018-07-13 06:51 ./usr/bin/symop_build_spacegroup
-rwxr-xr-x root/root      1254 2018-07-13 06:51 ./usr/bin/utf8-to-cif
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/arm-linux-gnueabihf/
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-rw-r--r-- root/root       327 2018-07-13 06:51 ./usr/share/man/man1/ssg3d.1.gz
-rw-r--r-- root/root       320 2018-07-13 06:51 ./usr/share/man/man1/ssg_symop_canonical.1.gz
-rw-r--r-- root/root       313 2018-07-13 06:51 ./usr/share/man/man1/ssg_symop_check.1.gz
-rw-r--r-- root/root       378 2018-07-13 06:51 ./usr/share/man/man1/ssg_symop_matrices.1.gz
-rw-r--r-- root/root       397 2018-07-13 06:51 ./usr/share/man/man1/ssg_symop_string.1.gz
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-rw-r--r-- root/root       275 2018-07-13 06:51 ./usr/share/man/man1/utf8-to-cif.1.gz
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/perl5/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/perl5/COD/
-rw-r--r-- root/root      1024 2018-07-13 06:51 ./usr/share/perl5/COD/Algebra.pm
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-rw-r--r-- root/root      4308 2018-07-13 06:51 ./usr/share/perl5/COD/Algebra/JacobiEigen.pm
-rw-r--r-- root/root      3413 2018-07-13 06:51 ./usr/share/perl5/COD/Algebra/JacobiEigenSimple.pm
-rw-r--r-- root/root      3340 2018-07-13 06:51 ./usr/share/perl5/COD/Algebra/Vector.pm
-rw-r--r-- root/root      5882 2018-07-13 06:51 ./usr/share/perl5/COD/AtomBricks.pm
-rw-r--r-- root/root     13904 2018-07-13 06:51 ./usr/share/perl5/COD/AtomNeighbours.pm
-rw-r--r-- root/root     39639 2018-07-13 06:51 ./usr/share/perl5/COD/AtomProperties.pm
-rw-r--r-- root/root     12179 2018-07-13 06:51 ./usr/share/perl5/COD/AuthorNames.pm
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/perl5/COD/CIF/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/perl5/COD/CIF/DDL/
-rw-r--r-- root/root      7114 2018-07-13 06:51 ./usr/share/perl5/COD/CIF/DDL/Ranges.pm
-rw-r--r-- root/root     14204 2018-07-13 06:51 ./usr/share/perl5/COD/CIF/Data.pm
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/perl5/COD/CIF/Data/
-rw-r--r-- root/root     41815 2018-07-13 06:51 ./usr/share/perl5/COD/CIF/Data/AtomList.pm
-rw-r--r-- root/root     21592 2018-07-13 06:51 ./usr/share/perl5/COD/CIF/Data/CIF2COD.pm
-rw-r--r-- root/root      6094 2018-07-13 06:51 ./usr/share/perl5/COD/CIF/Data/CODFlags.pm
-rw-r--r-- root/root     32340 2018-07-13 06:51 ./usr/share/perl5/COD/CIF/Data/CODNumbers.pm
-rw-r--r-- root/root     52776 2018-07-13 06:51 ./usr/share/perl5/COD/CIF/Data/CODPredepositionCheck.pm
-rw-r--r-- root/root      6495 2018-07-13 06:51 ./usr/share/perl5/COD/CIF/Data/CellContents.pm
-rw-r--r-- root/root     30001 2018-07-13 06:51 ./usr/share/perl5/COD/CIF/Data/Check.pm
-rw-r--r-- root/root      8771 2018-07-13 06:51 ./usr/share/perl5/COD/CIF/Data/Classifier.pm
-rw-r--r-- root/root      5402 2018-07-13 06:51 ./usr/share/perl5/COD/CIF/Data/Diff.pm
-rw-r--r-- root/root      3105 2018-07-13 06:51 ./usr/share/perl5/COD/CIF/Data/EstimateZ.pm
-rw-r--r-- root/root      4035 2018-07-13 06:51 ./usr/share/perl5/COD/CIF/Data/ExcludeFromStatistics.pm
-rw-r--r-- root/root     18936 2018-07-13 06:51 ./usr/share/perl5/COD/CIF/Data/SymmetryGenerator.pm
-rw-r--r-- root/root      3099 2018-07-13 06:51 ./usr/share/perl5/COD/CIF/JSON.pm
-rw-r--r-- root/root      3496 2018-07-13 06:51 ./usr/share/perl5/COD/CIF/Parser.pm
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/perl5/COD/CIF/Tags/
-rw-r--r-- root/root       652 2018-07-13 06:51 ./usr/share/perl5/COD/CIF/Tags/AMCSD.pm
-rw-r--r-- root/root      2520 2018-07-13 06:51 ./usr/share/perl5/COD/CIF/Tags/COD.pm
-rw-r--r-- root/root      2016 2018-07-13 06:51 ./usr/share/perl5/COD/CIF/Tags/CanonicalNames.pm
-rw-r--r-- root/root      4125 2018-07-13 06:51 ./usr/share/perl5/COD/CIF/Tags/DFT.pm
-rw-r--r-- root/root    100609 2018-07-13 06:51 ./usr/share/perl5/COD/CIF/Tags/DictTags.pm
-rw-r--r-- root/root      4428 2018-07-13 06:51 ./usr/share/perl5/COD/CIF/Tags/Excluded.pm
-rw-r--r-- root/root     15935 2018-07-13 06:51 ./usr/share/perl5/COD/CIF/Tags/Manage.pm
-rw-r--r-- root/root      5451 2018-07-13 06:51 ./usr/share/perl5/COD/CIF/Tags/Merge.pm
-rw-r--r-- root/root     14489 2018-07-13 06:51 ./usr/share/perl5/COD/CIF/Tags/Print.pm
-rw-r--r-- root/root      4722 2018-07-13 06:51 ./usr/share/perl5/COD/CIF/Tags/TCOD.pm
-rw-r--r-- root/root      8962 2018-07-13 06:51 ./usr/share/perl5/COD/CIF/Unicode2CIF.pm
-rw-r--r-- root/root      2594 2018-07-13 06:51 ./usr/share/perl5/COD/Cell.pm
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/perl5/COD/Cell/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/perl5/COD/Cell/Conventional/
-rw-r--r-- root/root     21436 2018-07-13 06:51 ./usr/share/perl5/COD/Cell/Conventional/deWG91.pm
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/perl5/COD/Cell/Delaunay/
-rw-r--r-- root/root      6008 2018-07-13 06:51 ./usr/share/perl5/COD/Cell/Delaunay/Delaunay.pm
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/perl5/COD/Cell/Niggli/
-rw-r--r-- root/root      8391 2018-07-13 06:51 ./usr/share/perl5/COD/Cell/Niggli/KG76.pm
-rw-r--r-- root/root     19074 2018-07-13 06:51 ./usr/share/perl5/COD/CromerMann.pm
-rw-r--r-- root/root      2857 2018-07-13 06:51 ./usr/share/perl5/COD/DateTime.pm
-rw-r--r-- root/root      4195 2018-07-13 06:51 ./usr/share/perl5/COD/ErrorHandler.pm
-rw-r--r-- root/root      2765 2018-07-13 06:51 ./usr/share/perl5/COD/Escape.pm
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/perl5/COD/Formulae/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/perl5/COD/Formulae/Parser/
-rw-r--r-- root/root     16372 2018-07-13 06:51 ./usr/share/perl5/COD/Formulae/Parser/AdHoc.pm
-rw-r--r-- root/root     10999 2018-07-13 06:51 ./usr/share/perl5/COD/Formulae/Parser/IUCr.pm
-rw-r--r-- root/root      2752 2018-07-13 06:51 ./usr/share/perl5/COD/Formulae/Print.pm
-rw-r--r-- root/root      2825 2018-07-13 06:51 ./usr/share/perl5/COD/Fractional.pm
-rw-r--r-- root/root      4987 2018-07-13 06:51 ./usr/share/perl5/COD/MorganFingerprints.pm
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/perl5/COD/Overlays/
-rw-r--r-- root/root      4454 2018-07-13 06:51 ./usr/share/perl5/COD/Overlays/Kabsch.pm
-rw-r--r-- root/root      8752 2018-07-13 06:51 ./usr/share/perl5/COD/Overlays/Kearsley.pm
-rw-r--r-- root/root      6994 2018-07-13 06:51 ./usr/share/perl5/COD/Overlays/Theobald.pm
-rw-r--r-- root/root     11879 2018-07-13 06:51 ./usr/share/perl5/COD/RDF.pm
-rw-r--r-- root/root      5989 2018-07-13 06:51 ./usr/share/perl5/COD/SOptions.pm
-rw-r--r-- root/root      1344 2018-07-13 06:51 ./usr/share/perl5/COD/SUsage.pm
-rw-r--r-- root/root      3839 2018-07-13 06:51 ./usr/share/perl5/COD/Serialise.pm
-rw-r--r-- root/root      2958 2018-07-13 06:51 ./usr/share/perl5/COD/ShowStruct.pm
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/perl5/COD/Spacegroups/
-rw-r--r-- root/root      7586 2018-07-13 06:51 ./usr/share/perl5/COD/Spacegroups/Builder.pm
-rw-r--r-- root/root      4477 2018-07-13 06:51 ./usr/share/perl5/COD/Spacegroups/Cosets.pm
-rw-r--r-- root/root       958 2018-07-13 06:51 ./usr/share/perl5/COD/Spacegroups/Lookup.pm
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/perl5/COD/Spacegroups/Lookup/
-rw-r--r-- root/root    167020 2018-07-13 06:51 ./usr/share/perl5/COD/Spacegroups/Lookup/CCP4.pm
-rw-r--r-- root/root    688323 2018-07-13 06:51 ./usr/share/perl5/COD/Spacegroups/Lookup/COD.pm
-rw-r--r-- root/root     31021 2018-07-13 06:51 ./usr/share/perl5/COD/Spacegroups/Names.pm
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/perl5/COD/Spacegroups/Symop/
-rw-r--r-- root/root      6566 2018-07-13 06:51 ./usr/share/perl5/COD/Spacegroups/Symop/Algebra.pm
-rw-r--r-- root/root      5470 2018-07-13 06:51 ./usr/share/perl5/COD/Spacegroups/Symop/Parse.pm
-rw-r--r-- root/root      6057 2018-07-13 06:51 ./usr/share/perl5/COD/Spacegroups/Symop/SSGParse.pm
-rw-r--r-- root/root       470 2018-07-13 06:51 ./usr/share/perl5/COD/ToolsVersion.pm


libcexceptions-dev_2.2+dfsg-2_armhf.deb
---------------------------------------

 new Debian package, version 2.0.
 size 18928 bytes: control archive=924 bytes.
     604 bytes,    16 lines      control              
     606 bytes,     9 lines      md5sums              
 Package: libcexceptions-dev
 Source: cod-tools
 Version: 2.2+dfsg-2
 Architecture: armhf
 Maintainer: Debian Science Maintainers <debian-science-maintainers@lists.alioth.debian.org>
 Installed-Size: 45
 Depends: libcexceptions0 (= 2.2+dfsg-2)
 Section: libdevel
 Priority: optional
 Homepage: http://wiki.crystallography.net/cod-tools
 Description: C exception handling library (development files)
  Wrappers for C functions, allowing usage of try ... catch ... blocks
  in C language. Wrapped functions include memory allocation, standard
  I/O and strdup.
  .
  This package contains static library and header files.

drwxr-xr-x root/root         0 2018-07-13 06:51 ./
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/include/
-rw-r--r-- root/root       965 2018-07-13 06:51 ./usr/include/allocx.h
-rw-r--r-- root/root      2761 2018-07-13 06:51 ./usr/include/cexceptions.h
-rw-r--r-- root/root       542 2018-07-13 06:51 ./usr/include/cxprintf.h
-rw-r--r-- root/root       723 2018-07-13 06:51 ./usr/include/stdiox.h
-rw-r--r-- root/root       482 2018-07-13 06:51 ./usr/include/stringx.h
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/arm-linux-gnueabihf/
-rw-r--r-- root/root     10896 2018-07-13 06:51 ./usr/lib/arm-linux-gnueabihf/libcexceptions.a
lrwxrwxrwx root/root         0 2018-07-13 06:51 ./usr/lib/arm-linux-gnueabihf/libcexceptions.so -> libcexceptions.so.0
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/doc/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/doc/libcexceptions-dev/
-rw-r--r-- root/root      1312 2018-07-13 06:51 ./usr/share/doc/libcexceptions-dev/changelog.Debian.gz
-rw-r--r-- root/root     11606 2018-07-01 05:48 ./usr/share/doc/libcexceptions-dev/changelog.gz
-rw-r--r-- root/root      2151 2018-07-02 18:02 ./usr/share/doc/libcexceptions-dev/copyright


libcexceptions0-dbgsym_2.2+dfsg-2_armhf.deb
-------------------------------------------

 new Debian package, version 2.0.
 size 7648 bytes: control archive=544 bytes.
     408 bytes,    12 lines      control              
     106 bytes,     1 lines      md5sums              
 Package: libcexceptions0-dbgsym
 Source: cod-tools
 Version: 2.2+dfsg-2
 Auto-Built-Package: debug-symbols
 Architecture: armhf
 Maintainer: Debian Science Maintainers <debian-science-maintainers@lists.alioth.debian.org>
 Installed-Size: 21
 Depends: libcexceptions0 (= 2.2+dfsg-2)
 Section: debug
 Priority: optional
 Description: debug symbols for libcexceptions0
 Build-Ids: e9c90b4b1b10bbf9ff5174040f591df179fe160d

drwxr-xr-x root/root         0 2018-07-13 06:51 ./
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/debug/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/debug/.build-id/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/debug/.build-id/e9/
-rw-r--r-- root/root     10948 2018-07-13 06:51 ./usr/lib/debug/.build-id/e9/c90b4b1b10bbf9ff5174040f591df179fe160d.debug
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/doc/
lrwxrwxrwx root/root         0 2018-07-13 06:51 ./usr/share/doc/libcexceptions0-dbgsym -> libcexceptions0


libcexceptions0_2.2+dfsg-2_armhf.deb
------------------------------------

 new Debian package, version 2.0.
 size 18572 bytes: control archive=896 bytes.
     502 bytes,    14 lines      control              
     470 bytes,     6 lines      md5sums              
      33 bytes,     1 lines      shlibs               
      67 bytes,     2 lines      triggers             
 Package: libcexceptions0
 Source: cod-tools
 Version: 2.2+dfsg-2
 Architecture: armhf
 Maintainer: Debian Science Maintainers <debian-science-maintainers@lists.alioth.debian.org>
 Installed-Size: 40
 Depends: libc6 (>= 2.4)
 Section: libs
 Priority: optional
 Homepage: http://wiki.crystallography.net/cod-tools
 Description: C exception handling library
  Wrappers for C functions, allowing usage of try ... catch ... blocks
  in C language. Wrapped functions include memory allocation, standard
  I/O and strdup.

drwxr-xr-x root/root         0 2018-07-13 06:51 ./
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/arm-linux-gnueabihf/
lrwxrwxrwx root/root         0 2018-07-13 06:51 ./usr/lib/arm-linux-gnueabihf/libcexceptions.so.0 -> libcexceptions.so.0.01
-rw-r--r-- root/root      9604 2018-07-13 06:51 ./usr/lib/arm-linux-gnueabihf/libcexceptions.so.0.01
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/doc/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/doc/libcexceptions0/
-rw-r--r-- root/root       647 2015-11-23 16:43 ./usr/share/doc/libcexceptions0/README
-rw-r--r-- root/root       281 2008-07-06 12:20 ./usr/share/doc/libcexceptions0/README-COPYING
-rw-r--r-- root/root      1312 2018-07-13 06:51 ./usr/share/doc/libcexceptions0/changelog.Debian.gz
-rw-r--r-- root/root     11606 2018-07-01 05:48 ./usr/share/doc/libcexceptions0/changelog.gz
-rw-r--r-- root/root      2151 2018-07-02 18:02 ./usr/share/doc/libcexceptions0/copyright


libcod-cif-parser-bison-perl-dbgsym_2.2+dfsg-2_armhf.deb
--------------------------------------------------------

 new Debian package, version 2.0.
 size 145728 bytes: control archive=556 bytes.
     448 bytes,    12 lines      control              
     106 bytes,     1 lines      md5sums              
 Package: libcod-cif-parser-bison-perl-dbgsym
 Source: cod-tools
 Version: 2.2+dfsg-2
 Auto-Built-Package: debug-symbols
 Architecture: armhf
 Maintainer: Debian Science Maintainers <debian-science-maintainers@lists.alioth.debian.org>
 Installed-Size: 175
 Depends: libcod-cif-parser-bison-perl (= 2.2+dfsg-2)
 Section: debug
 Priority: optional
 Description: debug symbols for libcod-cif-parser-bison-perl
 Build-Ids: a88fb8a1d0b956814b6335f0a1ca199bc0961ac6

drwxr-xr-x root/root         0 2018-07-13 06:51 ./
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/debug/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/debug/.build-id/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/debug/.build-id/a8/
-rw-r--r-- root/root    168580 2018-07-13 06:51 ./usr/lib/debug/.build-id/a8/8fb8a1d0b956814b6335f0a1ca199bc0961ac6.debug
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/doc/
lrwxrwxrwx root/root         0 2018-07-13 06:51 ./usr/share/doc/libcod-cif-parser-bison-perl-dbgsym -> libcod-cif-parser-bison-perl


libcod-cif-parser-bison-perl_2.2+dfsg-2_armhf.deb
-------------------------------------------------

 new Debian package, version 2.0.
 size 62284 bytes: control archive=916 bytes.
     763 bytes,    16 lines      control              
     479 bytes,     5 lines      md5sums              
 Package: libcod-cif-parser-bison-perl
 Source: cod-tools
 Version: 2.2+dfsg-2
 Architecture: armhf
 Maintainer: Debian Science Maintainers <debian-science-maintainers@lists.alioth.debian.org>
 Installed-Size: 161
 Depends: libc6 (>= 2.4), perl (>= 5.26.2-6), perlapi-5.26.2, libcod-precision-perl, libcod-usermessage-perl
 Section: perl
 Priority: optional
 Homepage: http://wiki.crystallography.net/cod-tools
 Description: error-correcting CIF parser - Perl bindings
  COD::CIF::Parser::Bison, Perl bindings for Crystallographic
  Information Format (CIF) v1.1 and v2.0 parser, which is written in C
  language, and developed by the Crystallography Open Database. A CIF
  format file is represented by an array of data blocks, where each
  data block is represented by a hash.

drwxr-xr-x root/root         0 2018-07-13 06:51 ./
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/arm-linux-gnueabihf/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/arm-linux-gnueabihf/perl5/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/arm-linux-gnueabihf/perl5/5.26/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/arm-linux-gnueabihf/perl5/5.26/COD/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/arm-linux-gnueabihf/perl5/5.26/COD/CIF/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/arm-linux-gnueabihf/perl5/5.26/COD/CIF/Parser/
-rw-r--r-- root/root      7776 2018-07-13 06:51 ./usr/lib/arm-linux-gnueabihf/perl5/5.26/COD/CIF/Parser/Bison.pm
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/arm-linux-gnueabihf/perl5/5.26/auto/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/arm-linux-gnueabihf/perl5/5.26/auto/COD/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/arm-linux-gnueabihf/perl5/5.26/auto/COD/CIF/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/arm-linux-gnueabihf/perl5/5.26/auto/COD/CIF/Parser/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/arm-linux-gnueabihf/perl5/5.26/auto/COD/CIF/Parser/Bison/
-rw-r--r-- root/root    120268 2018-07-13 06:51 ./usr/lib/arm-linux-gnueabihf/perl5/5.26/auto/COD/CIF/Parser/Bison/Bison.so
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/doc/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/doc/libcod-cif-parser-bison-perl/
-rw-r--r-- root/root      1312 2018-07-13 06:51 ./usr/share/doc/libcod-cif-parser-bison-perl/changelog.Debian.gz
-rw-r--r-- root/root     11606 2018-07-01 05:48 ./usr/share/doc/libcod-cif-parser-bison-perl/changelog.gz
-rw-r--r-- root/root      2151 2018-07-02 18:02 ./usr/share/doc/libcod-cif-parser-bison-perl/copyright


libcodcif-dev_2.2+dfsg-2_armhf.deb
----------------------------------

 new Debian package, version 2.0.
 size 63492 bytes: control archive=1256 bytes.
     598 bytes,    14 lines      control              
    1361 bytes,    22 lines      md5sums              
 Package: libcodcif-dev
 Source: cod-tools
 Version: 2.2+dfsg-2
 Architecture: armhf
 Maintainer: Debian Science Maintainers <debian-science-maintainers@lists.alioth.debian.org>
 Installed-Size: 223
 Depends: libcodcif2 (= 2.2+dfsg-2)
 Section: libdevel
 Priority: optional
 Homepage: http://wiki.crystallography.net/cod-tools
 Description: error-correcting CIF parser - headers and static libraries
  Parser for Crystallographic Information Format (CIF) v1.1 and v2.0,
  written in C language. A CIF format file is represented by an array
  of data blocks, where each data block is represented by a CIF struct.

drwxr-xr-x root/root         0 2018-07-13 06:51 ./
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/include/
-rw-r--r-- root/root      2895 2018-07-13 06:51 ./usr/include/cif.h
-rw-r--r-- root/root      2976 2018-07-13 06:51 ./usr/include/cif2_grammar.tab.h
-rw-r--r-- root/root       674 2018-07-13 06:51 ./usr/include/cif2_grammar_y.h
-rw-r--r-- root/root      1274 2018-07-13 06:51 ./usr/include/cif2_lexer.h
-rw-r--r-- root/root      3777 2018-07-13 06:51 ./usr/include/cif_compiler.h
-rw-r--r-- root/root      2821 2018-07-13 06:51 ./usr/include/cif_grammar.tab.h
-rw-r--r-- root/root      1505 2018-07-13 06:51 ./usr/include/cif_grammar_flex.h
-rw-r--r-- root/root       669 2018-07-13 06:51 ./usr/include/cif_grammar_y.h
-rw-r--r-- root/root      1254 2018-07-13 06:51 ./usr/include/cif_lexer.h
-rw-r--r-- root/root      1653 2018-07-13 06:51 ./usr/include/cif_options.h
-rw-r--r-- root/root       996 2018-07-13 06:51 ./usr/include/ciflist.h
-rw-r--r-- root/root      1943 2018-07-13 06:51 ./usr/include/cifmessage.h
-rw-r--r-- root/root       845 2018-07-13 06:51 ./usr/include/ciftable.h
-rw-r--r-- root/root      1341 2018-07-13 06:51 ./usr/include/cifvalue.h
-rw-r--r-- root/root      1075 2018-07-13 06:51 ./usr/include/common.h
-rw-r--r-- root/root      3137 2018-07-13 06:51 ./usr/include/datablock.h
-rw-r--r-- root/root       424 2018-07-13 06:51 ./usr/include/version.h
-rw-r--r-- root/root       280 2018-07-13 06:51 ./usr/include/yy.h
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/arm-linux-gnueabihf/
-rw-r--r-- root/root    162066 2018-07-13 06:51 ./usr/lib/arm-linux-gnueabihf/libcodcif.a
lrwxrwxrwx root/root         0 2018-07-13 06:51 ./usr/lib/arm-linux-gnueabihf/libcodcif.so -> libcodcif.so.2
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/doc/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/doc/libcodcif-dev/
-rw-r--r-- root/root      1312 2018-07-13 06:51 ./usr/share/doc/libcodcif-dev/changelog.Debian.gz
-rw-r--r-- root/root     11606 2018-07-01 05:48 ./usr/share/doc/libcodcif-dev/changelog.gz
-rw-r--r-- root/root      2151 2018-07-02 18:02 ./usr/share/doc/libcodcif-dev/copyright


libcodcif2-dbgsym_2.2+dfsg-2_armhf.deb
--------------------------------------

 new Debian package, version 2.0.
 size 90564 bytes: control archive=540 bytes.
     394 bytes,    12 lines      control              
     106 bytes,     1 lines      md5sums              
 Package: libcodcif2-dbgsym
 Source: cod-tools
 Version: 2.2+dfsg-2
 Auto-Built-Package: debug-symbols
 Architecture: armhf
 Maintainer: Debian Science Maintainers <debian-science-maintainers@lists.alioth.debian.org>
 Installed-Size: 117
 Depends: libcodcif2 (= 2.2+dfsg-2)
 Section: debug
 Priority: optional
 Description: debug symbols for libcodcif2
 Build-Ids: feb4faddcd31cfe6ce9cef8160ff3073235b6c64

drwxr-xr-x root/root         0 2018-07-13 06:51 ./
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/debug/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/debug/.build-id/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/debug/.build-id/fe/
-rw-r--r-- root/root    109192 2018-07-13 06:51 ./usr/lib/debug/.build-id/fe/b4faddcd31cfe6ce9cef8160ff3073235b6c64.debug
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/doc/
lrwxrwxrwx root/root         0 2018-07-13 06:51 ./usr/share/doc/libcodcif2-dbgsym -> libcodcif2


libcodcif2_2.2+dfsg-2_armhf.deb
-------------------------------

 new Debian package, version 2.0.
 size 53844 bytes: control archive=880 bytes.
     599 bytes,    14 lines      control              
     299 bytes,     4 lines      md5sums              
      23 bytes,     1 lines      shlibs               
      67 bytes,     2 lines      triggers             
 Package: libcodcif2
 Source: cod-tools
 Version: 2.2+dfsg-2
 Architecture: armhf
 Maintainer: Debian Science Maintainers <debian-science-maintainers@lists.alioth.debian.org>
 Installed-Size: 127
 Depends: libc6 (>= 2.4), libcexceptions0 (>= 2.2+dfsg-2)
 Section: libs
 Priority: optional
 Homepage: http://wiki.crystallography.net/cod-tools
 Description: error-correcting CIF parser - shared library
  Parser for Crystallographic Information Format (CIF) v1.1 and v2.0,
  written in C language. A CIF format file is represented by an array
  of data blocks, where each data block is represented by a CIF struct.

drwxr-xr-x root/root         0 2018-07-13 06:51 ./
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/arm-linux-gnueabihf/
lrwxrwxrwx root/root         0 2018-07-13 06:51 ./usr/lib/arm-linux-gnueabihf/libcodcif.so.2 -> libcodcif.so.2.2
-rw-r--r-- root/root    100588 2018-07-13 06:51 ./usr/lib/arm-linux-gnueabihf/libcodcif.so.2.2
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/doc/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/doc/libcodcif2/
-rw-r--r-- root/root      1312 2018-07-13 06:51 ./usr/share/doc/libcodcif2/changelog.Debian.gz
-rw-r--r-- root/root     11606 2018-07-01 05:48 ./usr/share/doc/libcodcif2/changelog.gz
-rw-r--r-- root/root      2151 2018-07-02 18:02 ./usr/share/doc/libcodcif2/copyright


libgetoptions-dev_2.2+dfsg-2_armhf.deb
--------------------------------------

 new Debian package, version 2.0.
 size 18544 bytes: control archive=848 bytes.
     693 bytes,    17 lines      control              
     378 bytes,     5 lines      md5sums              
 Package: libgetoptions-dev
 Source: cod-tools
 Version: 2.2+dfsg-2
 Architecture: armhf
 Maintainer: Debian Science Maintainers <debian-science-maintainers@lists.alioth.debian.org>
 Installed-Size: 38
 Depends: libgetoptions0 (= 2.2+dfsg-2)
 Section: libdevel
 Priority: optional
 Homepage: http://wiki.crystallography.net/cod-tools
 Description: Command line argument processing library for C (development files)
  C library for processing GNU-like command line options. The library
  uses C the exception handling library and is used for developing
  programs using codcif, an error-correcting Crystallographic Information
  Format (CIF) parser.
  .
  This package contains static library and header files.

drwxr-xr-x root/root         0 2018-07-13 06:51 ./
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/include/
-rw-r--r-- root/root      1805 2018-07-13 06:51 ./usr/include/getoptions.h
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/arm-linux-gnueabihf/
-rw-r--r-- root/root      9086 2018-07-13 06:51 ./usr/lib/arm-linux-gnueabihf/libgetoptions.a
lrwxrwxrwx root/root         0 2018-07-13 06:51 ./usr/lib/arm-linux-gnueabihf/libgetoptions.so -> libgetoptions.so.0
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/doc/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/doc/libgetoptions-dev/
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-rw-r--r-- root/root     11606 2018-07-01 05:48 ./usr/share/doc/libgetoptions-dev/changelog.gz
-rw-r--r-- root/root      2151 2018-07-02 18:02 ./usr/share/doc/libgetoptions-dev/copyright


libgetoptions0-dbgsym_2.2+dfsg-2_armhf.deb
------------------------------------------

 new Debian package, version 2.0.
 size 6128 bytes: control archive=544 bytes.
     405 bytes,    12 lines      control              
     106 bytes,     1 lines      md5sums              
 Package: libgetoptions0-dbgsym
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 Auto-Built-Package: debug-symbols
 Architecture: armhf
 Maintainer: Debian Science Maintainers <debian-science-maintainers@lists.alioth.debian.org>
 Installed-Size: 19
 Depends: libgetoptions0 (= 2.2+dfsg-2)
 Section: debug
 Priority: optional
 Description: debug symbols for libgetoptions0
 Build-Ids: c2fa628cdb01f408ef7688ace3a75d7ec9f5c451

drwxr-xr-x root/root         0 2018-07-13 06:51 ./
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/debug/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/debug/.build-id/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/debug/.build-id/c2/
-rw-r--r-- root/root      8536 2018-07-13 06:51 ./usr/lib/debug/.build-id/c2/fa628cdb01f408ef7688ace3a75d7ec9f5c451.debug
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/doc/
lrwxrwxrwx root/root         0 2018-07-13 06:51 ./usr/share/doc/libgetoptions0-dbgsym -> libgetoptions0


libgetoptions0_2.2+dfsg-2_armhf.deb
-----------------------------------

 new Debian package, version 2.0.
 size 18524 bytes: control archive=884 bytes.
     625 bytes,    15 lines      control              
     316 bytes,     4 lines      md5sums              
      31 bytes,     1 lines      shlibs               
      67 bytes,     2 lines      triggers             
 Package: libgetoptions0
 Source: cod-tools
 Version: 2.2+dfsg-2
 Architecture: armhf
 Maintainer: Debian Science Maintainers <debian-science-maintainers@lists.alioth.debian.org>
 Installed-Size: 42
 Depends: libc6 (>= 2.7), libcexceptions0 (>= 2.2+dfsg-2)
 Section: libs
 Priority: optional
 Homepage: http://wiki.crystallography.net/cod-tools
 Description: Command line argument processing library for C
  C library for processing GNU-like command line options. The library
  uses C the exception handling library and is used for developing
  programs using codcif, an error-correcting Crystallographic Information
  Format (CIF) parser.

drwxr-xr-x root/root         0 2018-07-13 06:51 ./
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/arm-linux-gnueabihf/
lrwxrwxrwx root/root         0 2018-07-13 06:51 ./usr/lib/arm-linux-gnueabihf/libgetoptions.so.0 -> libgetoptions.so.0.01
-rw-r--r-- root/root     13664 2018-07-13 06:51 ./usr/lib/arm-linux-gnueabihf/libgetoptions.so.0.01
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/doc/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/doc/libgetoptions0/
-rw-r--r-- root/root      1312 2018-07-13 06:51 ./usr/share/doc/libgetoptions0/changelog.Debian.gz
-rw-r--r-- root/root     11606 2018-07-01 05:48 ./usr/share/doc/libgetoptions0/changelog.gz
-rw-r--r-- root/root      2151 2018-07-02 18:02 ./usr/share/doc/libgetoptions0/copyright


python-pycodcif-dbgsym_2.2+dfsg-2_armhf.deb
-------------------------------------------

 new Debian package, version 2.0.
 size 124872 bytes: control archive=556 bytes.
     429 bytes,    13 lines      control              
     106 bytes,     1 lines      md5sums              
 Package: python-pycodcif-dbgsym
 Source: cod-tools
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 Auto-Built-Package: debug-symbols
 Architecture: armhf
 Maintainer: Debian Science Maintainers <debian-science-maintainers@lists.alioth.debian.org>
 Installed-Size: 154
 Depends: python-pycodcif (= 2.2+dfsg-2)
 Section: debug
 Priority: optional
 Description: debug symbols for python-pycodcif
 Build-Ids: f583940a99afc42c54bd125b43cda965215da0db
 Python-Version: 2.7

drwxr-xr-x root/root         0 2018-07-13 06:51 ./
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/debug/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/debug/.build-id/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/debug/.build-id/f5/
-rw-r--r-- root/root    146736 2018-07-13 06:51 ./usr/lib/debug/.build-id/f5/83940a99afc42c54bd125b43cda965215da0db.debug
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/doc/
lrwxrwxrwx root/root         0 2018-07-13 06:51 ./usr/share/doc/python-pycodcif-dbgsym -> python-pycodcif


python-pycodcif_2.2+dfsg-2_armhf.deb
------------------------------------

 new Debian package, version 2.0.
 size 60612 bytes: control archive=1260 bytes.
     783 bytes,    18 lines      control              
     825 bytes,     9 lines      md5sums              
     165 bytes,     9 lines   *  postinst             #!/bin/sh
     269 bytes,    14 lines   *  prerm                #!/bin/sh
 Package: python-pycodcif
 Source: cod-tools
 Version: 2.2+dfsg-2
 Architecture: armhf
 Maintainer: Debian Science Maintainers <debian-science-maintainers@lists.alioth.debian.org>
 Installed-Size: 165
 Depends: python (<< 2.8), python (>= 2.7~), python:any (<< 2.8), python:any (>= 2.7.5-5~), libc6 (>= 2.11)
 Provides: python2.7-pycodcif
 Section: python
 Priority: optional
 Homepage: http://wiki.crystallography.net/cod-tools
 Description: error-correcting CIF parser - Python bindings
  Python bindings for Crystallographic Information Format (CIF) v1.1
  and v2.0 parser, which is written in C language, and developed by the
  Crystallography Open Database. A CIF format file is represented by a
  list of data blocks, where each data block is represented by a
  dictionary.
 Python-Version: 2.7

drwxr-xr-x root/root         0 2018-07-13 06:51 ./
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/python2.7/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/python2.7/dist-packages/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/python2.7/dist-packages/pycodcif-2.2.egg-info/
-rw-r--r-- root/root       358 2018-07-13 06:51 ./usr/lib/python2.7/dist-packages/pycodcif-2.2.egg-info/PKG-INFO
-rw-r--r-- root/root         1 2018-07-13 06:51 ./usr/lib/python2.7/dist-packages/pycodcif-2.2.egg-info/dependency_links.txt
-rw-r--r-- root/root         9 2018-07-13 06:51 ./usr/lib/python2.7/dist-packages/pycodcif-2.2.egg-info/top_level.txt
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/python2.7/dist-packages/pycodcif/
-rw-r--r-- root/root       530 2017-11-16 11:15 ./usr/lib/python2.7/dist-packages/pycodcif/__init__.py
-rw-r--r-- root/root    113368 2018-07-13 06:51 ./usr/lib/python2.7/dist-packages/pycodcif/_pycodcif.arm-linux-gnueabihf.so
-rw-r--r-- root/root     20358 2018-07-13 06:51 ./usr/lib/python2.7/dist-packages/pycodcif/pycodcif.py
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/doc/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/doc/python-pycodcif/
-rw-r--r-- root/root      1312 2018-07-13 06:51 ./usr/share/doc/python-pycodcif/changelog.Debian.gz
-rw-r--r-- root/root     11606 2018-07-01 05:48 ./usr/share/doc/python-pycodcif/changelog.gz
-rw-r--r-- root/root      2151 2018-07-02 18:02 ./usr/share/doc/python-pycodcif/copyright


python3-pycodcif-dbgsym_2.2+dfsg-2_armhf.deb
--------------------------------------------

 new Debian package, version 2.0.
 size 125904 bytes: control archive=556 bytes.
     432 bytes,    13 lines      control              
     106 bytes,     1 lines      md5sums              
 Package: python3-pycodcif-dbgsym
 Source: cod-tools
 Version: 2.2+dfsg-2
 Auto-Built-Package: debug-symbols
 Architecture: armhf
 Maintainer: Debian Science Maintainers <debian-science-maintainers@lists.alioth.debian.org>
 Installed-Size: 154
 Depends: python3-pycodcif (= 2.2+dfsg-2)
 Section: debug
 Priority: optional
 Description: debug symbols for python3-pycodcif
 Build-Ids: 04cf8cff1c151adeb00dcd42007e5936ce416527
 Python-Version: 3.6

drwxr-xr-x root/root         0 2018-07-13 06:51 ./
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/debug/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/debug/.build-id/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/debug/.build-id/04/
-rw-r--r-- root/root    147380 2018-07-13 06:51 ./usr/lib/debug/.build-id/04/cf8cff1c151adeb00dcd42007e5936ce416527.debug
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/doc/
lrwxrwxrwx root/root         0 2018-07-13 06:51 ./usr/share/doc/python3-pycodcif-dbgsym -> python3-pycodcif


python3-pycodcif_2.2+dfsg-2_armhf.deb
-------------------------------------

 new Debian package, version 2.0.
 size 60604 bytes: control archive=1344 bytes.
     767 bytes,    18 lines      control              
     828 bytes,     9 lines      md5sums              
     168 bytes,     9 lines   *  postinst             #!/bin/sh
     407 bytes,    12 lines   *  prerm                #!/bin/sh
 Package: python3-pycodcif
 Source: cod-tools
 Version: 2.2+dfsg-2
 Architecture: armhf
 Maintainer: Debian Science Maintainers <debian-science-maintainers@lists.alioth.debian.org>
 Installed-Size: 165
 Depends: python3 (<< 3.7), python3 (>= 3.6~), python3:any (>= 3.3.2-2~), libc6 (>= 2.11)
 Provides: python3.6-pycodcif
 Section: python
 Priority: optional
 Homepage: http://wiki.crystallography.net/cod-tools
 Description: error-correcting CIF parser - Python3 bindings
  Python bindings for Crystallographic Information Format (CIF) v1.1
  and v2.0 parser, which is written in C language, and developed by the
  Crystallography Open Database. A CIF format file is represented by a
  list of data blocks, where each data block is represented by a
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 Python-Version: 3.6

drwxr-xr-x root/root         0 2018-07-13 06:51 ./
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/python3/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/python3/dist-packages/
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/python3/dist-packages/pycodcif-2.2.egg-info/
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-rw-r--r-- root/root         1 2018-07-13 06:51 ./usr/lib/python3/dist-packages/pycodcif-2.2.egg-info/dependency_links.txt
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drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/lib/python3/dist-packages/pycodcif/
-rw-r--r-- root/root       530 2017-11-16 11:15 ./usr/lib/python3/dist-packages/pycodcif/__init__.py
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-rw-r--r-- root/root     20358 2018-07-13 06:51 ./usr/lib/python3/dist-packages/pycodcif/pycodcif.py
drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/
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drwxr-xr-x root/root         0 2018-07-13 06:51 ./usr/share/doc/python3-pycodcif/
-rw-r--r-- root/root      1312 2018-07-13 06:51 ./usr/share/doc/python3-pycodcif/changelog.Debian.gz
-rw-r--r-- root/root     11606 2018-07-01 05:48 ./usr/share/doc/python3-pycodcif/changelog.gz
-rw-r--r-- root/root      2151 2018-07-02 18:02 ./usr/share/doc/python3-pycodcif/copyright


+------------------------------------------------------------------------------+
| Post Build                                                                   |
+------------------------------------------------------------------------------+


+------------------------------------------------------------------------------+
| Cleanup                                                                      |
+------------------------------------------------------------------------------+

Purging /<<BUILDDIR>>
Not cleaning session: cloned chroot in use

+------------------------------------------------------------------------------+
| Summary                                                                      |
+------------------------------------------------------------------------------+

Build Architecture: armhf
Build-Space: 144192
Build-Time: 9885
Distribution: buster-staging
Host Architecture: armhf
Install-Time: 1029
Job: cod-tools_2.2+dfsg-2
Machine Architecture: armhf
Package: cod-tools
Package-Time: 10983
Source-Version: 2.2+dfsg-2
Space: 144192
Status: successful
Version: 2.2+dfsg-2
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Finished at 2018-07-15T16:13:51Z
Build needed 03:03:03, 144192k disc space
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Build log for cod-tools (2.2+dfsg-2) on armhf
