cod-tools →
2.3+dfsg-3 →
armhf → 2019-02-05 12:55:52
sbuild (Debian sbuild) 0.71.0 (24 Aug 2016) on testwandboard
+==============================================================================+
| cod-tools 2.3+dfsg-3 (armhf) Tue, 05 Feb 2019 09:27:41 +0000 |
+==============================================================================+
Package: cod-tools
Version: 2.3+dfsg-3
Source Version: 2.3+dfsg-3
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-68093cac-6336-458b-82ad-cd6dc834fdae' 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 [11.3 MB]
Get:3 http://172.17.0.1/private buster-staging/main armhf Packages [13.0 MB]
Fetched 24.3 MB in 48s (503 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 8459 kB of source archives.
Get:1 http://172.17.0.1/private buster-staging/main cod-tools 2.3+dfsg-3 (dsc) [3496 B]
Get:2 http://172.17.0.1/private buster-staging/main cod-tools 2.3+dfsg-3 (tar) [8443 kB]
Get:3 http://172.17.0.1/private buster-staging/main cod-tools 2.3+dfsg-3 (diff) [12.1 kB]
Fetched 8459 kB in 2s (3393 kB/s)
Download complete and in download only mode
I: NOTICE: Log filtering will replace 'build/cod-tools-YVyrC0/cod-tools-2.3+dfsg' with '<<PKGBUILDDIR>>'
I: NOTICE: Log filtering will replace 'build/cod-tools-YVyrC0' 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-oo2Ou1/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-oo2Ou1/gpg/pubring.kbx' created
gpg: /<<BUILDDIR>>/resolver-oo2Ou1/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-oo2Ou1/apt_archive ./ InRelease
Get:2 copy:/<<BUILDDIR>>/resolver-oo2Ou1/apt_archive ./ Release [957 B]
Get:3 copy:/<<BUILDDIR>>/resolver-oo2Ou1/apt_archive ./ Release.gpg [370 B]
Get:4 copy:/<<BUILDDIR>>/resolver-oo2Ou1/apt_archive ./ Sources [349 B]
Get:5 copy:/<<BUILDDIR>>/resolver-oo2Ou1/apt_archive ./ Packages [432 B]
Fetched 2108 B in 1s (2810 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 krb5-locales libexpat1
libgpg-error-l10n libgssapi-krb5-2 libk5crypto3 libkeyutils1 libkrb5-3
libkrb5support0 libnss-systemd libpam-systemd 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 17 not upgraded.
Need to get 852 B of archives.
After this operation, 0 B of additional disk space will be used.
Get:1 copy:/<<BUILDDIR>>/resolver-oo2Ou1/apt_archive ./ sbuild-build-depends-core-dummy 0.invalid.0 [852 B]
debconf: delaying package configuration, since apt-utils is not installed
Fetched 852 B in 0s (0 B/s)
Selecting previously unselected package sbuild-build-depends-core-dummy.
(Reading database ... 15817 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: bison, debhelper (>= 11), dh-python, flex, gawk, 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, libtext-diff-perl, libsymspg-dev, libwww-curl-perl, libxml-simple-perl, moreutils, perl, python3-all-dev, python-dev, python-setuptools, python3-dev, python3-setuptools, swig, tree
Filtered Build-Depends: bison, debhelper (>= 11), dh-python, flex, gawk, 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, libtext-diff-perl, libsymspg-dev, libwww-curl-perl, libxml-simple-perl, moreutils, perl, python3-all-dev, python-dev, python-setuptools, python3-dev, python3-setuptools, swig, tree
dpkg-deb: building package 'sbuild-build-depends-cod-tools-dummy' in '/<<BUILDDIR>>/resolver-oo2Ou1/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-oo2Ou1/apt_archive ./ InRelease
Get:2 copy:/<<BUILDDIR>>/resolver-oo2Ou1/apt_archive ./ Release [963 B]
Get:3 copy:/<<BUILDDIR>>/resolver-oo2Ou1/apt_archive ./ Release.gpg [370 B]
Get:4 copy:/<<BUILDDIR>>/resolver-oo2Ou1/apt_archive ./ Sources [715 B]
Get:5 copy:/<<BUILDDIR>>/resolver-oo2Ou1/apt_archive ./ Packages [799 B]
Fetched 2847 B in 1s (4101 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 krb5-locales
libgpg-error-l10n libnss-systemd libpam-systemd 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 gawk gettext gettext-base groff-base
intltool-debian libalgorithm-c3-perl libalgorithm-diff-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 libcurl3-gnutls 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 libhtml-parser-perl libhtml-tagset-perl libicu63
libio-pty-perl libipc-run-perl libjson-perl liblist-moreutils-perl
libmagic-mgc libmagic1 libmariadb3 libmodule-implementation-perl
libmodule-runtime-perl libmodule-scandeps-perl libmpdec2 libmro-compat-perl
libnamespace-autoclean-perl libnamespace-clean-perl libnghttp2-14
libopenbabel5 libpackage-stash-perl libparams-classify-perl
libparams-util-perl libparams-validationcompiler-perl libparse-yapp-perl
libpipeline1 libpixman-1-0 libpsl5 libpython-dev libpython-stdlib
libpython2-dev libpython2-stdlib libpython2.7 libpython2.7-dev
libpython2.7-minimal libpython2.7-stdlib libpython3-all-dev libpython3-dev
libpython3-stdlib libpython3.7 libpython3.7-dev libpython3.7-minimal
libpython3.7-stdlib librole-tiny-perl librtmp1 libsigsegv2 libspecio-perl
libssh2-1 libsub-exporter-perl libsub-exporter-progressive-perl
libsub-identify-perl libsub-install-perl libsub-name-perl libsub-quote-perl
libsymspg-dev libsymspg1 libtext-diff-perl libtool libtry-tiny-perl
libuchardet0 liburi-perl libvariable-magic-perl libwww-curl-perl libx11-6
libx11-data libxau6 libxcb-render0 libxcb-shm0 libxcb1 libxdmcp6 libxext6
libxml-libxml-perl libxml-namespacesupport-perl libxml-sax-base-perl
libxml-sax-perl libxml-simple-perl libxml2 libxrender1 m4 man-db
mariadb-common 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-all python3-all-dev python3-dev python3-distutils
python3-lib2to3 python3-minimal python3-pkg-resources python3-setuptools
python3.7 python3.7-dev python3.7-minimal swig swig3.0 tree ucf
Suggested packages:
autoconf-archive gnu-standards autoconf-doc bison-doc wamerican | wordlist
whois vacation dh-make flex-doc gawk-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 libcurl4-gnutls-dev m4-doc apparmor less www-browser
libtime-duration-perl libtimedate-perl libmail-box-perl python-doc python-tk
python-setuptools-doc python2-doc python2.7-doc binfmt-support python3-doc
python3-tk python3-venv python3.7-venv python3.7-doc swig-doc swig-examples
swig3.0-examples swig3.0-doc
Recommended packages:
libfl-dev curl | wget | lynx libalgorithm-diff-xs-perl 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 libclass-xsaccessor-perl
publicsuffix libref-util-perl libltdl-dev libwww-perl libxml-sax-expat-perl
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 gawk gettext gettext-base groff-base
intltool-debian libalgorithm-c3-perl libalgorithm-diff-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 libcurl3-gnutls 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 libhtml-parser-perl libhtml-tagset-perl libicu63
libio-pty-perl libipc-run-perl libjson-perl liblist-moreutils-perl
libmagic-mgc libmagic1 libmariadb3 libmodule-implementation-perl
libmodule-runtime-perl libmodule-scandeps-perl libmpdec2 libmro-compat-perl
libnamespace-autoclean-perl libnamespace-clean-perl libnghttp2-14
libopenbabel5 libpackage-stash-perl libparams-classify-perl
libparams-util-perl libparams-validationcompiler-perl libparse-yapp-perl
libpipeline1 libpixman-1-0 libpsl5 libpython-dev libpython-stdlib
libpython2-dev libpython2-stdlib libpython2.7 libpython2.7-dev
libpython2.7-minimal libpython2.7-stdlib libpython3-all-dev libpython3-dev
libpython3-stdlib libpython3.7 libpython3.7-dev libpython3.7-minimal
libpython3.7-stdlib librole-tiny-perl librtmp1 libsigsegv2 libspecio-perl
libssh2-1 libsub-exporter-perl libsub-exporter-progressive-perl
libsub-identify-perl libsub-install-perl libsub-name-perl libsub-quote-perl
libsymspg-dev libsymspg1 libtext-diff-perl libtool libtry-tiny-perl
libuchardet0 liburi-perl libvariable-magic-perl libwww-curl-perl libx11-6
libx11-data libxau6 libxcb-render0 libxcb-shm0 libxcb1 libxdmcp6 libxext6
libxml-libxml-perl libxml-namespacesupport-perl libxml-sax-base-perl
libxml-sax-perl libxml-simple-perl libxml2 libxrender1 m4 man-db
mariadb-common 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-all python3-all-dev python3-dev python3-distutils
python3-lib2to3 python3-minimal python3-pkg-resources python3-setuptools
python3.7 python3.7-dev python3.7-minimal
sbuild-build-depends-cod-tools-dummy swig swig3.0 tree ucf
0 upgraded, 175 newly installed, 0 to remove and 17 not upgraded.
Need to get 126 MB/127 MB of archives.
After this operation, 310 MB of additional disk space will be used.
Get:1 copy:/<<BUILDDIR>>/resolver-oo2Ou1/apt_archive ./ sbuild-build-depends-cod-tools-dummy 0.invalid.0 [1080 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 libuchardet0 armhf 0.0.6-3 [62.2 kB]
Get:5 http://172.17.0.1/private buster-staging/main armhf groff-base armhf 1.22.4-2 [782 kB]
Get:6 http://172.17.0.1/private buster-staging/main armhf libpipeline1 armhf 1.5.1-1 [26.6 kB]
Get:7 http://172.17.0.1/private buster-staging/main armhf man-db armhf 2.8.5-1 [1231 kB]
Get:8 http://172.17.0.1/private buster-staging/main armhf libsigsegv2 armhf 2.12-2 [32.3 kB]
Get:9 http://172.17.0.1/private buster-staging/main armhf m4 armhf 1.4.18-2 [185 kB]
Get:10 http://172.17.0.1/private buster-staging/main armhf flex armhf 2.6.4-6.2 [427 kB]
Get:11 http://172.17.0.1/private buster-staging/main armhf gawk armhf 1:4.2.1+dfsg-1 [590 kB]
Get:12 http://172.17.0.1/private buster-staging/main armhf libpython2.7-minimal armhf 2.7.15-5 [394 kB]
Get:13 http://172.17.0.1/private buster-staging/main armhf python2.7-minimal armhf 2.7.15-5 [1089 kB]
Get:14 http://172.17.0.1/private buster-staging/main armhf python2-minimal armhf 2.7.15-4 [41.4 kB]
Get:15 http://172.17.0.1/private buster-staging/main armhf python-minimal armhf 2.7.15-4 [21.0 kB]
Get:16 http://172.17.0.1/private buster-staging/main armhf mime-support all 3.61 [37.1 kB]
Get:17 http://172.17.0.1/private buster-staging/main armhf libpython2.7-stdlib armhf 2.7.15-5 [1844 kB]
Get:18 http://172.17.0.1/private buster-staging/main armhf python2.7 armhf 2.7.15-5 [299 kB]
Get:19 http://172.17.0.1/private buster-staging/main armhf libpython2-stdlib armhf 2.7.15-4 [20.8 kB]
Get:20 http://172.17.0.1/private buster-staging/main armhf libpython-stdlib armhf 2.7.15-4 [20.8 kB]
Get:21 http://172.17.0.1/private buster-staging/main armhf python2 armhf 2.7.15-4 [41.6 kB]
Get:22 http://172.17.0.1/private buster-staging/main armhf python armhf 2.7.15-4 [22.8 kB]
Get:23 http://172.17.0.1/private buster-staging/main armhf libpython3.7-minimal armhf 3.7.2-1 [582 kB]
Get:24 http://172.17.0.1/private buster-staging/main armhf python3.7-minimal armhf 3.7.2-1 [1454 kB]
Get:25 http://172.17.0.1/private buster-staging/main armhf python3-minimal armhf 3.7.2-1 [36.6 kB]
Get:26 http://172.17.0.1/private buster-staging/main armhf libmpdec2 armhf 2.4.2-2 [67.2 kB]
Get:27 http://172.17.0.1/private buster-staging/main armhf libpython3.7-stdlib armhf 3.7.2-1 [1663 kB]
Get:28 http://172.17.0.1/private buster-staging/main armhf python3.7 armhf 3.7.2-1 [323 kB]
Get:29 http://172.17.0.1/private buster-staging/main armhf libpython3-stdlib armhf 3.7.2-1 [20.0 kB]
Get:30 http://172.17.0.1/private buster-staging/main armhf python3 armhf 3.7.2-1 [61.5 kB]
Get:31 http://172.17.0.1/private buster-staging/main armhf libmagic-mgc armhf 1:5.35-2 [242 kB]
Get:32 http://172.17.0.1/private buster-staging/main armhf libmagic1 armhf 1:5.35-2 [109 kB]
Get:33 http://172.17.0.1/private buster-staging/main armhf file armhf 1:5.35-2 [65.1 kB]
Get:34 http://172.17.0.1/private buster-staging/main armhf gettext-base armhf 0.19.8.1-9 [117 kB]
Get:35 http://172.17.0.1/private buster-staging/main armhf ucf all 3.0038+nmu1 [69.0 kB]
Get:36 http://172.17.0.1/private buster-staging/main armhf autoconf all 2.69-11 [341 kB]
Get:37 http://172.17.0.1/private buster-staging/main armhf autotools-dev all 20180224.1 [77.0 kB]
Get:38 http://172.17.0.1/private buster-staging/main armhf automake all 1:1.16.1-4 [771 kB]
Get:39 http://172.17.0.1/private buster-staging/main armhf autopoint all 0.19.8.1-9 [434 kB]
Get:40 http://172.17.0.1/private buster-staging/main armhf libbison-dev armhf 2:3.2.4.dfsg-1 [475 kB]
Get:41 http://172.17.0.1/private buster-staging/main armhf bison armhf 2:3.2.4.dfsg-1 [803 kB]
Get:42 http://172.17.0.1/private buster-staging/main armhf libtool all 2.4.6-9 [547 kB]
Get:43 http://172.17.0.1/private buster-staging/main armhf dh-autoreconf all 19 [16.9 kB]
Get:44 http://172.17.0.1/private buster-staging/main armhf libarchive-zip-perl all 1.64-1 [96.8 kB]
Get:45 http://172.17.0.1/private buster-staging/main armhf libfile-stripnondeterminism-perl all 1.1.0-1 [19.5 kB]
Get:46 http://172.17.0.1/private buster-staging/main armhf dh-strip-nondeterminism all 1.1.0-1 [12.6 kB]
Get:47 http://172.17.0.1/private buster-staging/main armhf libelf1 armhf 0.175-2 [157 kB]
Get:48 http://172.17.0.1/private buster-staging/main armhf dwz armhf 0.12-3 [66.0 kB]
Get:49 http://172.17.0.1/private buster-staging/main armhf libglib2.0-0 armhf 2.58.2-3 [1076 kB]
Get:50 http://172.17.0.1/private buster-staging/main armhf libicu63 armhf 63.1-6 [7973 kB]
Get:51 http://172.17.0.1/private buster-staging/main armhf libxml2 armhf 2.9.4+dfsg1-7+b1 [570 kB]
Get:52 http://172.17.0.1/private buster-staging/main armhf libcroco3 armhf 0.6.12-3 [132 kB]
Get:53 http://172.17.0.1/private buster-staging/main armhf gettext armhf 0.19.8.1-9 [1219 kB]
Get:54 http://172.17.0.1/private buster-staging/main armhf intltool-debian all 0.35.0+20060710.5 [26.8 kB]
Get:55 http://172.17.0.1/private buster-staging/main armhf po-debconf all 1.0.21 [248 kB]
Get:56 http://172.17.0.1/private buster-staging/main armhf debhelper all 12 [1002 kB]
Get:57 http://172.17.0.1/private buster-staging/main armhf python3-lib2to3 all 3.7.2-3 [76.7 kB]
Get:58 http://172.17.0.1/private buster-staging/main armhf python3-distutils all 3.7.2-3 [142 kB]
Get:59 http://172.17.0.1/private buster-staging/main armhf dh-python all 3.20180927 [95.8 kB]
Get:60 http://172.17.0.1/private buster-staging/main armhf fontconfig-config all 2.13.1-2 [280 kB]
Get:61 http://172.17.0.1/private buster-staging/main armhf libalgorithm-c3-perl all 0.10-1 [12.0 kB]
Get:62 http://172.17.0.1/private buster-staging/main armhf libalgorithm-diff-perl all 1.19.03-2 [47.9 kB]
Get:63 http://172.17.0.1/private buster-staging/main armhf libb-hooks-op-check-perl armhf 0.22-1+b1 [11.1 kB]
Get:64 http://172.17.0.1/private buster-staging/main armhf libdynaloader-functions-perl all 0.003-1 [12.6 kB]
Get:65 http://172.17.0.1/private buster-staging/main armhf libdevel-callchecker-perl armhf 0.007-2+b2 [17.7 kB]
Get:66 http://172.17.0.1/private buster-staging/main armhf libparams-classify-perl armhf 0.015-1+b1 [24.3 kB]
Get:67 http://172.17.0.1/private buster-staging/main armhf libmodule-runtime-perl all 0.016-1 [19.4 kB]
Get:68 http://172.17.0.1/private buster-staging/main armhf libtry-tiny-perl all 0.30-1 [23.3 kB]
Get:69 http://172.17.0.1/private buster-staging/main armhf libmodule-implementation-perl all 0.09-1 [12.9 kB]
Get:70 http://172.17.0.1/private buster-staging/main armhf libsub-exporter-progressive-perl all 0.001013-1 [7588 B]
Get:71 http://172.17.0.1/private buster-staging/main armhf libvariable-magic-perl armhf 0.62-1+b1 [43.5 kB]
Get:72 http://172.17.0.1/private buster-staging/main armhf libb-hooks-endofscope-perl all 0.24-1 [18.6 kB]
Get:73 http://172.17.0.1/private buster-staging/main armhf libcarp-clan-perl all 6.07-1 [15.3 kB]
Get:74 http://172.17.0.1/private buster-staging/main armhf libbit-vector-perl armhf 7.4-1+b4 [140 kB]
Get:75 http://172.17.0.1/private buster-staging/main armhf libfreetype6 armhf 2.9.1-3 [318 kB]
Get:76 http://172.17.0.1/private buster-staging/main armhf libfontconfig1 armhf 2.13.1-2 [327 kB]
Get:77 http://172.17.0.1/private buster-staging/main armhf libpixman-1-0 armhf 0.36.0-1 [458 kB]
Get:78 http://172.17.0.1/private buster-staging/main armhf libxcb1 armhf 1.13.1-2 [132 kB]
Get:79 http://172.17.0.1/private buster-staging/main armhf libx11-data all 2:1.6.7-1 [298 kB]
Get:80 http://172.17.0.1/private buster-staging/main armhf libx11-6 armhf 2:1.6.7-1 [689 kB]
Get:81 http://172.17.0.1/private buster-staging/main armhf libxcb-render0 armhf 1.13.1-2 [108 kB]
Get:82 http://172.17.0.1/private buster-staging/main armhf libxcb-shm0 armhf 1.13.1-2 [99.3 kB]
Get:83 http://172.17.0.1/private buster-staging/main armhf libcairo2 armhf 1.16.0-2 [602 kB]
Get:84 http://172.17.0.1/private buster-staging/main armhf libcapture-tiny-perl all 0.48-1 [26.0 kB]
Get:85 http://172.17.0.1/private buster-staging/main armhf libcarp-assert-perl all 0.21-1 [18.2 kB]
Get:86 http://172.17.0.1/private buster-staging/main armhf libopenbabel5 armhf 2.4.1+dfsg-3 [2553 kB]
Get:87 http://172.17.0.1/private buster-staging/main armhf libchemistry-openbabel-perl armhf 2.4.1+dfsg-3 [622 kB]
Get:88 http://172.17.0.1/private buster-staging/main armhf libclass-c3-perl all 0.34-1 [22.4 kB]
Get:89 http://172.17.0.1/private buster-staging/main armhf libclass-data-inheritable-perl all 0.08-3 [8588 B]
Get:90 http://172.17.0.1/private buster-staging/main armhf libclass-inspector-perl all 1.32-1 [19.1 kB]
Get:91 http://172.17.0.1/private buster-staging/main armhf libclass-method-modifiers-perl all 2.12-1 [18.6 kB]
Get:92 http://172.17.0.1/private buster-staging/main armhf libclass-singleton-perl all 1.5-1 [13.5 kB]
Get:93 http://172.17.0.1/private buster-staging/main armhf libclone-perl armhf 0.41-1+b1 [14.1 kB]
Get:94 http://172.17.0.1/private buster-staging/main armhf libnghttp2-14 armhf 1.36.0-1 [73.6 kB]
Get:95 http://172.17.0.1/private buster-staging/main armhf libpsl5 armhf 0.20.2-2 [52.6 kB]
Get:96 http://172.17.0.1/private buster-staging/main armhf librtmp1 armhf 2.4+20151223.gitfa8646d.1-2 [54.0 kB]
Get:97 http://172.17.0.1/private buster-staging/main armhf libssh2-1 armhf 1.8.0-2 [125 kB]
Get:98 http://172.17.0.1/private buster-staging/main armhf libcurl3-gnutls armhf 7.63.0-1 [288 kB]
Get:99 http://172.17.0.1/private buster-staging/main armhf libparams-util-perl armhf 1.07-3+b3 [21.8 kB]
Get:100 http://172.17.0.1/private buster-staging/main armhf libsub-install-perl all 0.928-1 [11.4 kB]
Get:101 http://172.17.0.1/private buster-staging/main armhf libdata-optlist-perl all 0.110-1 [10.6 kB]
Get:102 http://172.17.0.1/private buster-staging/main armhf libdate-calc-perl all 6.4-1 [194 kB]
Get:103 http://172.17.0.1/private buster-staging/main armhf libfile-sharedir-perl all 1.116-2 [16.7 kB]
Get:104 http://172.17.0.1/private buster-staging/main armhf libpackage-stash-perl all 0.38-1 [21.7 kB]
Get:105 http://172.17.0.1/private buster-staging/main armhf libsub-identify-perl armhf 0.14-1+b1 [11.6 kB]
Get:106 http://172.17.0.1/private buster-staging/main armhf libsub-name-perl armhf 0.21-1+b2 [13.1 kB]
Get:107 http://172.17.0.1/private buster-staging/main armhf libnamespace-clean-perl all 0.27-1 [17.3 kB]
Get:108 http://172.17.0.1/private buster-staging/main armhf libnamespace-autoclean-perl all 0.28-1 [14.7 kB]
Get:109 http://172.17.0.1/private buster-staging/main armhf libsub-exporter-perl all 0.987-1 [47.2 kB]
Get:110 http://172.17.0.1/private buster-staging/main armhf libeval-closure-perl all 0.14-1 [11.5 kB]
Get:111 http://172.17.0.1/private buster-staging/main armhf libdevel-stacktrace-perl all 2.0300-1 [28.0 kB]
Get:112 http://172.17.0.1/private buster-staging/main armhf libexception-class-perl all 1.44-1 [32.3 kB]
Get:113 http://172.17.0.1/private buster-staging/main armhf libparams-validationcompiler-perl all 0.30-1 [31.6 kB]
Get:114 http://172.17.0.1/private buster-staging/main armhf libmro-compat-perl all 0.13-1 [12.2 kB]
Get:115 http://172.17.0.1/private buster-staging/main armhf librole-tiny-perl all 2.000006-1 [19.4 kB]
Get:116 http://172.17.0.1/private buster-staging/main armhf libsub-quote-perl all 2.005001-1 [17.9 kB]
Get:117 http://172.17.0.1/private buster-staging/main armhf libspecio-perl all 0.43-1 [142 kB]
Get:118 http://172.17.0.1/private buster-staging/main armhf libdatetime-locale-perl all 1:1.23-1 [2351 kB]
Get:119 http://172.17.0.1/private buster-staging/main armhf libdatetime-timezone-perl all 1:2.23-1+2018i [277 kB]
Get:120 http://172.17.0.1/private buster-staging/main armhf libdatetime-perl armhf 2:1.50-1+b1 [119 kB]
Get:121 http://172.17.0.1/private buster-staging/main armhf libdatetime-format-rfc3339-perl all 1.2.0-1 [10.4 kB]
Get:122 http://172.17.0.1/private buster-staging/main armhf libdbi-perl armhf 1.642-1+b1 [766 kB]
Get:123 http://172.17.0.1/private buster-staging/main armhf mysql-common all 5.8+1.0.5 [7324 B]
Get:124 http://172.17.0.1/private buster-staging/main armhf mariadb-common all 1:10.3.12-2 [30.4 kB]
Get:125 http://172.17.0.1/private buster-staging/main armhf libmariadb3 armhf 1:10.3.12-2 [161 kB]
Get:126 http://172.17.0.1/private buster-staging/main armhf libdbd-mysql-perl armhf 4.050-1 [114 kB]
Get:127 http://172.17.0.1/private buster-staging/main armhf libdbd-sqlite3-perl armhf 1.60-1 [164 kB]
Get:128 http://172.17.0.1/private buster-staging/main armhf libexpat1-dev armhf 2.2.6-1 [127 kB]
Get:129 http://172.17.0.1/private buster-staging/main armhf libexporter-tiny-perl all 1.002001-1 [36.9 kB]
Get:130 http://172.17.0.1/private buster-staging/main armhf libhtml-tagset-perl all 3.20-3 [12.7 kB]
Get:131 http://172.17.0.1/private buster-staging/main armhf liburi-perl all 1.76-1 [89.9 kB]
Get:132 http://172.17.0.1/private buster-staging/main armhf libhtml-parser-perl armhf 3.72-3+b2 [101 kB]
Get:133 http://172.17.0.1/private buster-staging/main armhf libio-pty-perl armhf 1:1.08-1.1+b4 [33.0 kB]
Get:134 http://172.17.0.1/private buster-staging/main armhf libipc-run-perl all 20180523.0-1 [101 kB]
Get:135 http://172.17.0.1/private buster-staging/main armhf libjson-perl all 4.01000-1 [88.6 kB]
Get:136 http://172.17.0.1/private buster-staging/main armhf liblist-moreutils-perl armhf 0.416-1+b3 [59.6 kB]
Get:137 http://172.17.0.1/private buster-staging/main armhf libmodule-scandeps-perl all 1.27-1 [44.0 kB]
Get:138 http://172.17.0.1/private buster-staging/main armhf libparse-yapp-perl all 1.21-2 [46.9 kB]
Get:139 http://172.17.0.1/private buster-staging/main armhf libpython2.7 armhf 2.7.15-5 [871 kB]
Get:140 http://172.17.0.1/private buster-staging/main armhf libpython2.7-dev armhf 2.7.15-5 [30.8 MB]
Get:141 http://172.17.0.1/private buster-staging/main armhf libpython2-dev armhf 2.7.15-4 [20.9 kB]
Get:142 http://172.17.0.1/private buster-staging/main armhf libpython-dev armhf 2.7.15-4 [20.9 kB]
Get:143 http://172.17.0.1/private buster-staging/main armhf libpython3.7 armhf 3.7.2-1 [1253 kB]
Get:144 http://172.17.0.1/private buster-staging/main armhf libpython3.7-dev armhf 3.7.2-1 [47.2 MB]
Get:145 http://172.17.0.1/private buster-staging/main armhf libpython3-dev armhf 3.7.2-1 [20.1 kB]
Get:146 http://172.17.0.1/private buster-staging/main armhf libpython3-all-dev armhf 3.7.2-1 [1064 B]
Get:147 http://172.17.0.1/private buster-staging/main armhf libsymspg1 armhf 1.12.1-1 [74.3 kB]
Get:148 http://172.17.0.1/private buster-staging/main armhf libsymspg-dev armhf 1.12.1-1 [82.6 kB]
Get:149 http://172.17.0.1/private buster-staging/main armhf libtext-diff-perl all 1.45-1 [27.7 kB]
Get:150 http://172.17.0.1/private buster-staging/main armhf libwww-curl-perl armhf 4.17-5 [56.2 kB]
Get:151 http://172.17.0.1/private buster-staging/main armhf libxml-namespacesupport-perl all 1.12-1 [14.8 kB]
Get:152 http://172.17.0.1/private buster-staging/main armhf libxml-sax-base-perl all 1.09-1 [20.4 kB]
Get:153 http://172.17.0.1/private buster-staging/main armhf libxml-sax-perl all 1.00+dfsg-1 [58.6 kB]
Get:154 http://172.17.0.1/private buster-staging/main armhf libxml-libxml-perl armhf 2.0132+dfsg-2+b1 [323 kB]
Get:155 http://172.17.0.1/private buster-staging/main armhf libxml-simple-perl all 2.25-1 [72.0 kB]
Get:156 http://172.17.0.1/private buster-staging/main armhf moreutils armhf 0.62-1+b1 [69.3 kB]
Get:157 http://172.17.0.1/private buster-staging/main armhf python2.7-dev armhf 2.7.15-5 [289 kB]
Get:158 http://172.17.0.1/private buster-staging/main armhf python2-dev armhf 2.7.15-4 [1212 B]
Get:159 http://172.17.0.1/private buster-staging/main armhf python-dev armhf 2.7.15-4 [1188 B]
Get:160 http://172.17.0.1/private buster-staging/main armhf python-pkg-resources all 40.6.3-1 [181 kB]
Get:161 http://172.17.0.1/private buster-staging/main armhf python-setuptools all 40.6.3-1 [380 kB]
Get:162 http://172.17.0.1/private buster-staging/main armhf python3-all armhf 3.7.2-1 [1060 B]
Get:163 http://172.17.0.1/private buster-staging/main armhf python3.7-dev armhf 3.7.2-1 [510 kB]
Get:164 http://172.17.0.1/private buster-staging/main armhf python3-dev armhf 3.7.2-1 [1260 B]
Get:165 http://172.17.0.1/private buster-staging/main armhf python3-all-dev armhf 3.7.2-1 [1060 B]
Get:166 http://172.17.0.1/private buster-staging/main armhf python3-pkg-resources all 40.6.3-1 [152 kB]
Get:167 http://172.17.0.1/private buster-staging/main armhf python3-setuptools all 40.6.3-1 [303 kB]
Get:168 http://172.17.0.1/private buster-staging/main armhf swig3.0 armhf 3.0.12-2 [1221 kB]
Get:169 http://172.17.0.1/private buster-staging/main armhf swig armhf 3.0.12-2 [310 kB]
Get:170 http://172.17.0.1/private buster-staging/main armhf tree armhf 1.8.0-1 [43.5 kB]
debconf: delaying package configuration, since apt-utils is not installed
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Setting up libhtml-tagset-perl (3.20-3) ...
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Processing triggers for libc-bin (2.28-5+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_2.31.1-11+rpi1 dpkg-dev_1.19.2 g++-8_8.2.0-14+rpi1 gcc-8_8.2.0-14+rpi1 libc6-dev_2.28-5+rpi1 libstdc++-8-dev_8.2.0-14+rpi1 libstdc++6_8.2.0-14+rpi1 linux-libc-dev_4.18.20-2+rpi1
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perl-base_5.28.1-3 perl-modules-5.24_5.24.1-7 perl-modules-5.28_5.28.1-3 pinentry-curses_1.1.0-1 plymouth_0.9.4-1 po-debconf_1.0.21 procps_2:3.3.15-2 python_2.7.15-4 python-dev_2.7.15-4 python-minimal_2.7.15-4 python-pkg-resources_40.6.3-1 python-setuptools_40.6.3-1 python2_2.7.15-4 python2-dev_2.7.15-4 python2-minimal_2.7.15-4 python2.7_2.7.15-5 python2.7-dev_2.7.15-5 python2.7-minimal_2.7.15-5 python3_3.7.2-1 python3-all_3.7.2-1 python3-all-dev_3.7.2-1 python3-dev_3.7.2-1 python3-distutils_3.7.2-3 python3-lib2to3_3.7.2-3 python3-minimal_3.7.2-1 python3-pkg-resources_40.6.3-1 python3-setuptools_40.6.3-1 python3.7_3.7.2-1 python3.7-dev_3.7.2-1 python3.7-minimal_3.7.2-1 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_4.7-1 sensible-utils_0.0.12 swig_3.0.12-2 swig3.0_3.0.12-2 systemd_240-4+rpi1 systemd-sysv_240-4+rpi1 sysvinit-utils_2.93-5 tar_1.30+dfsg-4 tree_1.8.0-1 tzdata_2018i-1 ucf_3.0038+nmu1 udev_240-4+rpi1 util-linux_2.33.1-0.1 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 Sun Feb 3 09:34:26 2019 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_2.3+dfsg-3.dsc
dpkg-source: info: extracting cod-tools in /<<BUILDDIR>>/cod-tools-2.3+dfsg
dpkg-source: info: unpacking cod-tools_2.3+dfsg.orig.tar.xz
dpkg-source: info: unpacking cod-tools_2.3+dfsg-3.debian.tar.xz
dpkg-source: info: using patch list from debian/patches/series
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-68093cac-6336-458b-82ad-cd6dc834fdae
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 2.3+dfsg-3
dpkg-buildpackage: info: source distribution unstable
dpkg-source --before-build .
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-2.3+dfsg'
rm -f *~
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make[6]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF'
make[7]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser'
make[8]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Yapp'
rm -f tests/outputs/cif_parser_test_099.diff tests/outputs/cif_parser_test_048.diff tests/outputs/cif_parser_test_041.diff tests/outputs/cif_parser_test_075.diff tests/outputs/cif_parser_test_020.diff tests/outputs/cif_parser_test_101.diff tests/outputs/cif_parser_test_026.diff tests/outputs/cif_parser_test_108.diff tests/outputs/cif_parser_test_025.diff tests/outputs/cif_parser_test_004.diff tests/outputs/cif_parser_test_013.diff tests/outputs/cif_parser_test_031.diff tests/outputs/cif_parser_test_092.diff tests/outputs/cif_parser_test_115.diff tests/outputs/cif_parser_test_035.diff tests/outputs/cif_parser_test_018.diff tests/outputs/cif_parser_test_015.diff tests/outputs/cif_parser_test_072.diff tests/outputs/cif_parser_test_089.diff tests/outputs/cif_parser_test_062.diff tests/outputs/cif_parser_test_052.diff tests/outputs/cif_parser_test_110.diff tests/outputs/cif_parser_test_114.diff tests/outputs/cif_parser_test_042.diff tests/outputs/cif_parser_test_014.diff tests/outputs/cif_parser_test_109.diff tests/outputs/cif_parser_test_016.diff tests/outputs/cif_parser_test_005.diff tests/outputs/cif_parser_test_093.diff tests/outputs/cif_parser_test_011.diff tests/outputs/cif_parser_test_118.diff tests/outputs/cif_parser_test_076.diff tests/outputs/cif_parser_test_085.diff tests/outputs/cif_parser_test_047.diff tests/outputs/cif_parser_test_073.diff tests/outputs/cif_parser_test_012.diff tests/outputs/cif_parser_test_030.diff tests/outputs/cif_parser_test_063.diff tests/outputs/cif_parser_test_037.diff tests/outputs/cif_parser_test_009.diff tests/outputs/cif_parser_test_007.diff tests/outputs/cif_parser_test_053.diff tests/outputs/cif_parser_test_028.diff tests/outputs/cif_parser_test_055.diff tests/outputs/cif_parser_test_086.diff tests/outputs/cif_parser_test_056.diff tests/outputs/cif_parser_test_079.diff tests/outputs/cif_parser_test_064.diff tests/outputs/cif_parser_test_069.diff tests/outputs/cif_parser_test_059.diff tests/outputs/cif_parser_test_049.diff tests/outputs/cif_parser_test_039.diff tests/outputs/cif_parser_test_010.diff tests/outputs/cif_parser_test_104.diff tests/outputs/cif_parser_test_106.diff tests/outputs/cif_parser_test_017.diff tests/outputs/cif_parser_test_107.diff tests/outputs/cif_parser_test_022.diff tests/outputs/cif_parser_test_098.diff tests/outputs/cif_parser_test_112.diff tests/outputs/cif_parser_test_057.diff tests/outputs/cif_parser_test_008.diff tests/outputs/cif_parser_test_024.diff tests/outputs/cif_parser_test_065.diff tests/outputs/cif_parser_test_091.diff tests/outputs/cif_parser_test_116.diff tests/outputs/cif_parser_test_044.diff tests/outputs/cif_parser_test_071.diff tests/outputs/cif_parser_test_096.diff tests/outputs/cif_parser_test_061.diff tests/outputs/cif_parser_test_077.diff tests/outputs/cif_parser_test_051.diff tests/outputs/cif_parser_test_019.diff tests/outputs/cif_parser_test_083.diff tests/outputs/cif_parser_test_067.diff tests/outputs/cif_parser_test_082.diff tests/outputs/cif_parser_test_087.diff tests/outputs/cif_parser_test_088.diff tests/outputs/cif_parser_test_023.diff tests/outputs/cif_parser_test_034.diff tests/outputs/cif_parser_test_066.diff tests/outputs/cif_parser_test_032.diff tests/outputs/cif_parser_test_006.diff tests/outputs/cif_parser_test_068.diff tests/outputs/cif_parser_test_113.diff tests/outputs/cif_parser_test_058.diff tests/outputs/cif_parser_test_117.diff tests/outputs/cif_parser_test_036.diff tests/outputs/cif_parser_test_081.diff tests/outputs/cif_parser_test_043.diff tests/outputs/cif_parser_test_080.diff tests/outputs/cif_parser_test_045.diff tests/outputs/cif_parser_test_090.diff tests/outputs/cif_parser_test_070.diff tests/outputs/cif_parser_test_060.diff tests/outputs/cif_parser_test_050.diff tests/outputs/cif_parser_test_040.diff tests/outputs/cif_parser_test_027.diff tests/outputs/cif_parser_test_074.diff tests/outputs/cif_parser_test_094.diff tests/outputs/cif_parser_test_003.diff tests/outputs/cif_parser_test_046.diff tests/outputs/cif_parser_test_002.diff tests/outputs/cif_parser_test_078.diff tests/outputs/cif_parser_test_021.diff tests/outputs/cif_parser_test_111.diff tests/outputs/cif_parser_test_038.diff tests/outputs/cif_parser_test_095.diff tests/outputs/cif_parser_test_084.diff tests/outputs/cif_parser_test_100.diff tests/outputs/cif_parser_test_033.diff tests/outputs/cif_parser_test_029.diff tests/outputs/cif_parser_test_119.diff tests/outputs/cif_parser_test_103.diff tests/outputs/cif_parser_test_097.diff tests/outputs/cif_parser_test_105.diff tests/outputs/cif_parser_test_054.diff tests/outputs/cif_parser_test_102.diff tests/outputs/cif_parser_test_001.diff
rm -f ./tests/shoutputs/missing_closing_sq_string.diff ./tests/shoutputs/multiline_text_field_001.diff ./tests/shoutputs/loop_misparsing.diff ./tests/shoutputs/text_field_001.diff ./tests/shoutputs/empty_02.diff ./tests/shoutputs/global_errors.diff ./tests/shoutputs/unquoted_string_with_brackets.diff ./tests/shoutputs/missing_closing_dq_string.diff ./tests/shoutputs/multiline_text_field_002.diff ./tests/shoutputs/unquoted_string_wo_brackets.diff ./tests/shoutputs/simple.diff ./tests/shoutputs/err_no_data_03.diff ./tests/shoutputs/error_messages.diff ./tests/shoutputs/loop_001.diff ./tests/shoutputs/save_block.diff ./tests/shoutputs/local_tags.diff ./tests/shoutputs/err_no_data_01.diff ./tests/shoutputs/standard_uncertainty_handling.diff ./tests/shoutputs/multiline_text_field_003.diff ./tests/shoutputs/float_mis-increase_lexer.diff ./tests/shoutputs/unquoted_string.diff ./tests/shoutputs/file_not_defined.diff ./tests/shoutputs/empty_01.diff ./tests/shoutputs/err_no_data_02.diff ./tests/shoutputs/multiline_text_field_004.diff
rm -f lib/COD/CIF/Parser/Yapp.pm *.output
make[8]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Yapp'
make[8]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Bison'
rm -f tests/outputs/cif_parser_test_099.diff tests/outputs/cif_parser_test_048.diff tests/outputs/cif_parser_test_041.diff tests/outputs/cif_parser_test_075.diff tests/outputs/cif_parser_test_020.diff tests/outputs/cif_parser_test_101.diff tests/outputs/cif_parser_test_026.diff tests/outputs/cif_parser_test_108.diff tests/outputs/cif_parser_test_025.diff tests/outputs/cif_parser_test_004.diff tests/outputs/cif_parser_test_013.diff tests/outputs/cif_parser_test_031.diff tests/outputs/cif_parser_test_092.diff tests/outputs/cif_parser_test_115.diff tests/outputs/cif_parser_test_035.diff tests/outputs/cif_parser_test_018.diff tests/outputs/cif_parser_test_015.diff tests/outputs/cif_parser_test_072.diff tests/outputs/cif_parser_test_089.diff tests/outputs/cif_parser_test_062.diff tests/outputs/cif_parser_test_052.diff tests/outputs/cif_parser_test_110.diff tests/outputs/cif_parser_test_114.diff tests/outputs/cif_parser_test_042.diff tests/outputs/cif_parser_test_014.diff tests/outputs/cif_parser_test_109.diff tests/outputs/cif_parser_test_016.diff tests/outputs/cif_parser_test_005.diff tests/outputs/cif_parser_test_093.diff tests/outputs/cif_parser_test_011.diff tests/outputs/cif_parser_test_118.diff tests/outputs/cif_parser_test_076.diff tests/outputs/cif_parser_test_085.diff tests/outputs/cif_parser_test_047.diff tests/outputs/cif_parser_test_073.diff tests/outputs/cif_parser_test_012.diff tests/outputs/cif_parser_test_030.diff tests/outputs/cif_parser_test_063.diff tests/outputs/cif_parser_test_037.diff tests/outputs/cif_parser_test_009.diff tests/outputs/cif_parser_test_007.diff tests/outputs/cif_parser_test_053.diff tests/outputs/cif_parser_test_028.diff tests/outputs/cif_parser_test_055.diff tests/outputs/cif_parser_test_086.diff tests/outputs/cif_parser_test_056.diff tests/outputs/cif_parser_test_079.diff tests/outputs/cif_parser_test_064.diff tests/outputs/cif_parser_test_069.diff tests/outputs/cif_parser_test_059.diff tests/outputs/cif_parser_test_049.diff tests/outputs/cif_parser_test_039.diff tests/outputs/cif_parser_test_010.diff tests/outputs/cif_parser_test_104.diff tests/outputs/cif_parser_test_106.diff tests/outputs/cif_parser_test_017.diff tests/outputs/cif_parser_test_107.diff tests/outputs/cif_parser_test_022.diff tests/outputs/cif_parser_test_098.diff tests/outputs/cif_parser_test_112.diff tests/outputs/cif_parser_test_057.diff tests/outputs/cif_parser_test_008.diff tests/outputs/cif_parser_test_024.diff tests/outputs/cif_parser_test_065.diff tests/outputs/cif_parser_test_091.diff tests/outputs/cif_parser_test_116.diff tests/outputs/cif_parser_test_044.diff tests/outputs/cif_parser_test_071.diff tests/outputs/cif_parser_test_096.diff tests/outputs/cif_parser_test_061.diff tests/outputs/cif_parser_test_077.diff tests/outputs/cif_parser_test_051.diff tests/outputs/cif_parser_test_019.diff tests/outputs/cif_parser_test_083.diff tests/outputs/cif_parser_test_067.diff tests/outputs/cif_parser_test_082.diff tests/outputs/cif_parser_test_087.diff tests/outputs/cif_parser_test_088.diff tests/outputs/cif_parser_test_023.diff tests/outputs/cif_parser_test_034.diff tests/outputs/cif_parser_test_066.diff tests/outputs/cif_parser_test_032.diff tests/outputs/cif_parser_test_006.diff tests/outputs/cif_parser_test_068.diff tests/outputs/cif_parser_test_113.diff tests/outputs/cif_parser_test_058.diff tests/outputs/cif_parser_test_117.diff tests/outputs/cif_parser_test_036.diff tests/outputs/cif_parser_test_081.diff tests/outputs/cif_parser_test_043.diff tests/outputs/cif_parser_test_080.diff tests/outputs/cif_parser_test_045.diff tests/outputs/cif_parser_test_090.diff tests/outputs/cif_parser_test_070.diff tests/outputs/cif_parser_test_060.diff tests/outputs/cif_parser_test_050.diff tests/outputs/cif_parser_test_040.diff tests/outputs/cif_parser_test_027.diff tests/outputs/cif_parser_test_074.diff tests/outputs/cif_parser_test_094.diff tests/outputs/cif_parser_test_003.diff tests/outputs/cif_parser_test_046.diff tests/outputs/cif_parser_test_002.diff tests/outputs/cif_parser_test_078.diff tests/outputs/cif_parser_test_021.diff tests/outputs/cif_parser_test_111.diff tests/outputs/cif_parser_test_038.diff tests/outputs/cif_parser_test_095.diff tests/outputs/cif_parser_test_084.diff tests/outputs/cif_parser_test_100.diff tests/outputs/cif_parser_test_033.diff tests/outputs/cif_parser_test_029.diff tests/outputs/cif_parser_test_119.diff tests/outputs/cif_parser_test_103.diff tests/outputs/cif_parser_test_097.diff tests/outputs/cif_parser_test_105.diff tests/outputs/cif_parser_test_054.diff tests/outputs/cif_parser_test_102.diff tests/outputs/cif_parser_test_001.diff
rm -f ./tests/shoutputs/unicode_001.diff ./tests/shoutputs/multiline_text_field_001.diff ./tests/shoutputs/precisions_004.diff ./tests/shoutputs/unicode_002.diff ./tests/shoutputs/multiline_text_field_002.diff ./tests/shoutputs/unicode_004.diff ./tests/shoutputs/precisions_003.diff ./tests/shoutputs/precisions_001.diff ./tests/shoutputs/unicode_003.diff ./tests/shoutputs/multiline_text_field_003.diff ./tests/shoutputs/unicode_005.diff ./tests/shoutputs/precisions_002.diff ./tests/shoutputs/multiline_text_field_004.diff
rm -f source_wrap.c source.o source_wrap.o *~ *.o
rm -f lib/auto/COD/CIF/Parser/Bison/Bison.so lib/COD/CIF/Parser/Bison.pm
make[8]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Bison'
make[7]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser'
make[6]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF'
make[5]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD'
make[4]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5'
make[3]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib'
make[2]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src'
make[1]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg'
dh_autoreconf_clean -O--no-parallel
debian/rules override_dh_clean
make[1]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg'
dh_clean
for TPL in debian/templates/*; \
do rm -f debian/$(basename ${TPL}); \
done
rm -rf .pybuild
make[1]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+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
debian/rules override_dh_auto_build
make[1]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg'
dh_auto_build
make -j1 "INSTALL=install --strip-program=true"
make[2]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg'
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@/2.3/' 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-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/AdHoc/
make[3]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/AdHoc'
yapp -v -m COD::Formulae::Parser::AdHoc -o - grammar.yp | sed 's/@VERSION@/2.3/' > lib/COD/Formulae/Parser/AdHoc.pm
tests/cases/formula_parser_test_002.inp: OK
tests/cases/formula_parser_test_003.inp: OK
tests/cases/formula_parser_test_004.inp: OK
tests/cases/formula_parser_test_001.inp: OK
make[3]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/AdHoc'
cp /<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/AdHoc//lib/COD/Formulae/Parser/AdHoc.pm /<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/AdHoc.pm
make -C /<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/IUCr/
make[3]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/IUCr'
yapp -v -m COD::Formulae::Parser::IUCr -o - grammar.yp | sed 's/@VERSION@/2.3/' > lib/COD/Formulae/Parser/IUCr.pm
tests/cases/formula_parser_test_002.inp: OK
tests/cases/formula_parser_test_003.inp: OK
tests/cases/formula_parser_test_004.inp: OK
tests/cases/formula_parser_test_001.inp: OK
make[3]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/IUCr'
cp /<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/IUCr//lib/COD/Formulae/Parser/IUCr.pm /<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/IUCr.pm
make -C /<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Yapp/
make[3]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Yapp'
yapp -v -m COD::CIF::Parser::Yapp -o - grammar.yp | sed 's/@VERSION@/2.3/' > lib/COD/CIF/Parser/Yapp.pm
tests/cases/cif_parser_test_099.inp: OK
tests/cases/cif_parser_test_048.inp: OK
tests/cases/cif_parser_test_041.inp: OK
tests/cases/cif_parser_test_075.inp: OK
tests/cases/cif_parser_test_020.inp: OK
tests/cases/cif_parser_test_101.inp: OK
tests/cases/cif_parser_test_026.inp: OK
tests/cases/cif_parser_test_108.inp: OK
tests/cases/cif_parser_test_025.inp: OK
tests/cases/cif_parser_test_004.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_018.inp: OK
tests/cases/cif_parser_test_015.inp: OK
tests/cases/cif_parser_test_072.inp: OK
tests/cases/cif_parser_test_089.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_014.inp: OK
tests/cases/cif_parser_test_109.inp: OK
tests/cases/cif_parser_test_016.inp: OK
tests/cases/cif_parser_test_005.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_076.inp: OK
tests/cases/cif_parser_test_085.inp: OK
tests/cases/cif_parser_test_047.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_037.inp: OK
tests/cases/cif_parser_test_009.inp: OK
tests/cases/cif_parser_test_007.inp: OK
tests/cases/cif_parser_test_053.inp: OK
tests/cases/cif_parser_test_028.inp: OK
tests/cases/cif_parser_test_055.inp: OK
tests/cases/cif_parser_test_086.inp: OK
tests/cases/cif_parser_test_056.inp: OK
tests/cases/cif_parser_test_079.inp: OK
tests/cases/cif_parser_test_064.inp: OK
tests/cases/cif_parser_test_069.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_104.inp: OK
tests/cases/cif_parser_test_106.inp: OK
tests/cases/cif_parser_test_017.inp: OK
tests/cases/cif_parser_test_107.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_057.inp: OK
tests/cases/cif_parser_test_008.inp: OK
tests/cases/cif_parser_test_024.inp: OK
tests/cases/cif_parser_test_065.inp: OK
tests/cases/cif_parser_test_091.inp: OK
tests/cases/cif_parser_test_116.inp: OK
tests/cases/cif_parser_test_044.inp: OK
tests/cases/cif_parser_test_071.inp: OK
tests/cases/cif_parser_test_096.inp: OK
tests/cases/cif_parser_test_061.inp: OK
tests/cases/cif_parser_test_077.inp: OK
tests/cases/cif_parser_test_051.inp: OK
tests/cases/cif_parser_test_019.inp: OK
tests/cases/cif_parser_test_083.inp: OK
tests/cases/cif_parser_test_067.inp: OK
tests/cases/cif_parser_test_082.inp: OK
tests/cases/cif_parser_test_087.inp: OK
tests/cases/cif_parser_test_088.inp: OK
tests/cases/cif_parser_test_023.inp: OK
tests/cases/cif_parser_test_034.inp: OK
tests/cases/cif_parser_test_066.inp: OK
tests/cases/cif_parser_test_032.inp: OK
tests/cases/cif_parser_test_006.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_117.inp: OK
tests/cases/cif_parser_test_036.inp: OK
tests/cases/cif_parser_test_081.inp: OK
tests/cases/cif_parser_test_043.inp: OK
tests/cases/cif_parser_test_080.inp: OK
tests/cases/cif_parser_test_045.inp: OK
tests/cases/cif_parser_test_090.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_027.inp: OK
tests/cases/cif_parser_test_074.inp: OK
tests/cases/cif_parser_test_094.inp: OK
tests/cases/cif_parser_test_003.inp: OK
tests/cases/cif_parser_test_046.inp: OK
tests/cases/cif_parser_test_002.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_100.inp: OK
tests/cases/cif_parser_test_033.inp: OK
tests/cases/cif_parser_test_029.inp: OK
tests/cases/cif_parser_test_119.inp: OK
tests/cases/cif_parser_test_103.inp: OK
tests/cases/cif_parser_test_097.inp: OK
tests/cases/cif_parser_test_105.inp: OK
tests/cases/cif_parser_test_054.inp: OK
tests/cases/cif_parser_test_102.inp: OK
tests/cases/cif_parser_test_001.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[3]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Yapp'
cp /<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Yapp//lib/COD/CIF/Parser/Yapp.pm /<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Yapp.pm
make -C /<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Bison/
make[3]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Bison'
swig -perl5 -Wall -outdir lib/COD/CIF/Parser/ source.i
cc -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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/5.28/CORE -I. -I../../../../../../components/codcif -I../../../../../../externals/cexceptions -c source.c source_wrap.c
make -C ../../../../../../components/codcif/ \
lib/libcodcif.a
make[4]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/components/codcif'
gcc -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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="\"6652\"" -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 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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="\"6652\"" -M -MG \
programs/cifvalues.c | sed -e 's,^cifvalues.o:,./obj/programs/cifvalues.o:,' > programs/.cifvalues.d
gcc -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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="\"6652\"" -M -MG \
programs/cifparse.c | sed -e 's,^cifparse.o:,./obj/programs/cifparse.o:,' > programs/.cifparse.d
gcc -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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="\"6652\"" -M -MG \
cifvalue.c | sed -e 's,^cifvalue.o:,./obj/cifvalue.o:,' > .cifvalue.d
gcc -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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="\"6652\"" -M -MG \
ciflist.c | sed -e 's,^ciflist.o:,./obj/ciflist.o:,' > .ciflist.d
gcc -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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="\"6652\"" -M -MG \
cif_compiler.c | sed -e 's,^cif_compiler.o:,./obj/cif_compiler.o:,' > .cif_compiler.d
gcc -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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="\"6652\"" -M -MG \
datablock.c | sed -e 's,^datablock.o:,./obj/datablock.o:,' > .datablock.d
gcc -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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="\"6652\"" -M -MG \
cif.c | sed -e 's,^cif.o:,./obj/cif.o:,' > .cif.d
gcc -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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="\"6652\"" -M -MG \
cif_lexer.c | sed -e 's,^cif_lexer.o:,./obj/cif_lexer.o:,' > .cif_lexer.d
gcc -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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="\"6652\"" -M -MG \
cif_grammar_flex.c | sed -e 's,^cif_grammar_flex.o:,./obj/cif_grammar_flex.o:,' > .cif_grammar_flex.d
gcc -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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="\"6652\"" -M -MG \
cifmessage.c | sed -e 's,^cifmessage.o:,./obj/cifmessage.o:,' > .cifmessage.d
gcc -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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="\"6652\"" -M -MG \
cif2_lexer.c | sed -e 's,^cif2_lexer.o:,./obj/cif2_lexer.o:,' > .cif2_lexer.d
gcc -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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="\"6652\"" -M -MG \
common.c | sed -e 's,^common.o:,./obj/common.o:,' > .common.d
gcc -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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="\"6652\"" -M -MG \
ciftable.c | sed -e 's,^ciftable.o:,./obj/ciftable.o:,' > .ciftable.d
gcc -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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="\"6652\"" -M -MG \
cif_options.c | sed -e 's,^cif_options.o:,./obj/cif_options.o:,' > .cif_options.d
gcc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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="\"6652\"" -c cif_options.c -o obj/cif_options.o
gcc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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="\"6652\"" -c ciftable.c -o obj/ciftable.o
gcc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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="\"6652\"" -c common.c -o obj/common.o
bison -y -v -d -p cif2 --file-prefix cif2_grammar cif2_grammar.y
gcc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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="\"6652\"" -c cif2_lexer.c -o obj/cif2_lexer.o
cif2_lexer.c: In function 'pushchar':
cif2_lexer.c:599:21: 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 -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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="\"6652\"" -c cifmessage.c -o obj/cifmessage.o
gcc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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="\"6652\"" -c cif_grammar_flex.c -o obj/cif_grammar_flex.o
bison -y -v -d -p cif --file-prefix cif_grammar cif_grammar.y
gcc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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="\"6652\"" -c cif_lexer.c -o obj/cif_lexer.o
cif_lexer.c: In function 'pushchar':
cif_lexer.c:506:21: 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 -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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="\"6652\"" -c cif.c -o obj/cif.o
gcc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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="\"6652\"" -c datablock.c -o obj/datablock.o
gcc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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="\"6652\"" -c cif_compiler.c -o obj/cif_compiler.o
gcc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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="\"6652\"" -c ciflist.c -o obj/ciflist.o
gcc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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="\"6652\"" -c cifvalue.c -o obj/cifvalue.o
gcc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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="\"6652\"" -c cif2_grammar.tab.c -o obj/cif2_grammar.tab.o
gcc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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="\"6652\"" -c cif_grammar.tab.c -o obj/cif_grammar.tab.o
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 obj/cif2_grammar.tab.o obj/cif_grammar.tab.o
make[4]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/components/codcif'
make -C ../../../../../../externals/cexceptions/ \
lib/libcexceptions.a
make[4]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/externals/cexceptions'
cc -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG tests/subsystem_b.c > tests/.subsystem_b.d
cc -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG tests/subsystem_a.c > tests/.subsystem_a.d
cc -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG tests/programs/tcreallocx.c > tests/programs/.tcreallocx.d
cc -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG tests/programs/tstrdupx.c > tests/programs/.tstrdupx.d
cc -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG tests/programs/tsubsystems.c > tests/programs/.tsubsystems.d
cc -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG tests/programs/tfinaly.c > tests/programs/.tfinaly.d
cc -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG tests/programs/fopenx.c > tests/programs/.fopenx.d
cc -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG tests/programs/texceptions.c > tests/programs/.texceptions.d
cc -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG cexceptions.c > .cexceptions.d
cc -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG stdiox.c > .stdiox.d
cc -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG allocx.c > .allocx.d
cc -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG stringx.c > .stringx.d
cc -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG cxprintf.c > .cxprintf.d
cc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -c cxprintf.c -o obj/cxprintf.o
cc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -c stringx.c -o obj/stringx.o
cc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -c allocx.c -o obj/allocx.o
cc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -c stdiox.c -o obj/stdiox.o
cc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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[4]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/externals/cexceptions'
cc -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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_048.inp: OK
tests/cases/cif_parser_test_041.inp: OK
tests/cases/cif_parser_test_075.inp: OK
tests/cases/cif_parser_test_020.inp: OK
tests/cases/cif_parser_test_101.inp: OK
tests/cases/cif_parser_test_026.inp: OK
tests/cases/cif_parser_test_108.inp: OK
tests/cases/cif_parser_test_025.inp: OK
tests/cases/cif_parser_test_004.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_018.inp: OK
tests/cases/cif_parser_test_015.inp: OK
tests/cases/cif_parser_test_072.inp: OK
tests/cases/cif_parser_test_089.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_014.inp: OK
tests/cases/cif_parser_test_109.inp: OK
tests/cases/cif_parser_test_016.inp: OK
tests/cases/cif_parser_test_005.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_076.inp: OK
tests/cases/cif_parser_test_085.inp: OK
tests/cases/cif_parser_test_047.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_037.inp: OK
tests/cases/cif_parser_test_009.inp: OK
tests/cases/cif_parser_test_007.inp: OK
tests/cases/cif_parser_test_053.inp: OK
tests/cases/cif_parser_test_028.inp: OK
tests/cases/cif_parser_test_055.inp: OK
tests/cases/cif_parser_test_086.inp: OK
tests/cases/cif_parser_test_056.inp: OK
tests/cases/cif_parser_test_079.inp: OK
tests/cases/cif_parser_test_064.inp: OK
tests/cases/cif_parser_test_069.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_104.inp: OK
tests/cases/cif_parser_test_106.inp: OK
tests/cases/cif_parser_test_017.inp: OK
tests/cases/cif_parser_test_107.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_057.inp: OK
tests/cases/cif_parser_test_008.inp: OK
tests/cases/cif_parser_test_024.inp: OK
tests/cases/cif_parser_test_065.inp: OK
tests/cases/cif_parser_test_091.inp: OK
tests/cases/cif_parser_test_116.inp: OK
tests/cases/cif_parser_test_044.inp: OK
tests/cases/cif_parser_test_071.inp: OK
tests/cases/cif_parser_test_096.inp: OK
tests/cases/cif_parser_test_061.inp: OK
tests/cases/cif_parser_test_077.inp: OK
tests/cases/cif_parser_test_051.inp: OK
tests/cases/cif_parser_test_019.inp: OK
tests/cases/cif_parser_test_083.inp: OK
tests/cases/cif_parser_test_067.inp: OK
tests/cases/cif_parser_test_082.inp: OK
tests/cases/cif_parser_test_087.inp: OK
tests/cases/cif_parser_test_088.inp: OK
tests/cases/cif_parser_test_023.inp: OK
tests/cases/cif_parser_test_034.inp: OK
tests/cases/cif_parser_test_066.inp: OK
tests/cases/cif_parser_test_032.inp: OK
tests/cases/cif_parser_test_006.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_117.inp: OK
tests/cases/cif_parser_test_036.inp: OK
tests/cases/cif_parser_test_081.inp: OK
tests/cases/cif_parser_test_043.inp: OK
tests/cases/cif_parser_test_080.inp: OK
tests/cases/cif_parser_test_045.inp: OK
tests/cases/cif_parser_test_090.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_027.inp: OK
tests/cases/cif_parser_test_074.inp: OK
tests/cases/cif_parser_test_094.inp: OK
tests/cases/cif_parser_test_003.inp: OK
tests/cases/cif_parser_test_046.inp: OK
tests/cases/cif_parser_test_002.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_100.inp: OK
tests/cases/cif_parser_test_033.inp: OK
tests/cases/cif_parser_test_029.inp: OK
tests/cases/cif_parser_test_119.inp: OK
tests/cases/cif_parser_test_103.inp: OK
tests/cases/cif_parser_test_097.inp: OK
tests/cases/cif_parser_test_105.inp: OK
tests/cases/cif_parser_test_054.inp: OK
tests/cases/cif_parser_test_102.inp: OK
tests/cases/cif_parser_test_001.inp: OK
unicode_001: OK
multiline_text_field_001: OK
precisions_004: OK
unicode_002: OK
multiline_text_field_002: OK
unicode_004: OK
precisions_003: OK
precisions_001: OK
unicode_003: OK
multiline_text_field_003: OK
unicode_005: OK
precisions_002: OK
multiline_text_field_004: OK
make[3]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Bison'
cp /<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Bison/lib/COD/CIF/Parser/Bison.pm /<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Bison.pm
cp /<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Bison//lib/auto/COD/CIF/Parser/Bison/Bison.so /<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/auto/COD/CIF/Parser/Bison/Bison.so
make -C /<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/SPGLib/
make[3]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/SPGLib'
swig -perl5 -Wall -outdir lib/COD/ source.i
cc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall `perl -MConfig -e 'print $Config{lddlflags}'` -Wl,-z,relro -Wl,-z,now source.o source_wrap.o -o lib/auto/COD/SPGLib/SPGLib.so -lsymspg
make[3]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/SPGLib'
cp /<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/SPGLib/lib/COD/SPGLib.pm /<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/SPGLib.pm
cp /<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/SPGLib//lib/auto/COD/SPGLib/SPGLib.so /<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/auto/COD/SPGLib/SPGLib.so
make -C /<<BUILDDIR>>/cod-tools-2.3+dfsg/src/components/pycodcif all
make[3]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/components/pycodcif'
sed 's/@@VERSION@@/'2.3'/' < setup.pyin > setup.py
python setup.py build --build-lib build/python2.7/
running build
running build_py
running build_ext
building 'pycodcif._pycodcif' extension
swigging pycodcif.i to pycodcif_wrap.c
swig -python -o pycodcif_wrap.c pycodcif.i
creating build
creating build/temp.linux-armv7l-2.7
creating build/temp.linux-armv7l-2.7/src
creating build/temp.linux-armv7l-2.7/src/externals
creating build/temp.linux-armv7l-2.7/src/externals/cexceptions
creating build/temp.linux-armv7l-2.7/src/components
creating build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/externals/cexceptions/cxprintf.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/externals/cexceptions/stringx.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/externals/cexceptions/allocx.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/externals/cexceptions/stdiox.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/externals/cexceptions/cexceptions.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif_options.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/common.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/ciftable.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif2_lexer.c -o build/temp.linux-armv7l-2.7/src/components/codcif/cif2_lexer.o
src/components/codcif/cif2_lexer.c: In function 'pushchar':
src/components/codcif/cif2_lexer.c:599:21: 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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cifvalue.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cifmessage.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif_grammar_flex.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif_lexer.c -o build/temp.linux-armv7l-2.7/src/components/codcif/cif_lexer.o
src/components/codcif/cif_lexer.c: In function 'pushchar':
src/components/codcif/cif_lexer.c:506:21: 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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/datablock.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif_compiler.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/ciflist.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif_grammar.tab.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif2_grammar.tab.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c pycodcif.c -o build/temp.linux-armv7l-2.7/pycodcif.o
creating build/python2.7
creating build/python2.7/pycodcif
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/python2.7-7yWIbs/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 build/temp.linux-armv7l-2.7/src/externals/cexceptions/cxprintf.o build/temp.linux-armv7l-2.7/src/externals/cexceptions/stringx.o build/temp.linux-armv7l-2.7/src/externals/cexceptions/allocx.o build/temp.linux-armv7l-2.7/src/externals/cexceptions/stdiox.o build/temp.linux-armv7l-2.7/src/externals/cexceptions/cexceptions.o build/temp.linux-armv7l-2.7/src/components/codcif/cif_options.o build/temp.linux-armv7l-2.7/src/components/codcif/common.o build/temp.linux-armv7l-2.7/src/components/codcif/ciftable.o build/temp.linux-armv7l-2.7/src/components/codcif/cif2_lexer.o build/temp.linux-armv7l-2.7/src/components/codcif/cifvalue.o build/temp.linux-armv7l-2.7/src/components/codcif/cifmessage.o build/temp.linux-armv7l-2.7/src/components/codcif/cif_grammar_flex.o build/temp.linux-armv7l-2.7/src/components/codcif/cif_lexer.o build/temp.linux-armv7l-2.7/src/components/codcif/cif.o build/temp.linux-armv7l-2.7/src/components/codcif/datablock.o build/temp.linux-armv7l-2.7/src/components/codcif/cif_compiler.o build/temp.linux-armv7l-2.7/src/components/codcif/ciflist.o build/temp.linux-armv7l-2.7/src/components/codcif/cif_grammar.tab.o build/temp.linux-armv7l-2.7/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/python2.7/pycodcif/_pycodcif.so
copying ./__init__.py -> build/python2.7/pycodcif
copying ./pycodcif.py -> build/python2.7/pycodcif
tests/cases/cif_parser_test_099.inp: OK
tests/cases/cif_parser_test_048.inp: OK
tests/cases/cif_parser_test_041.inp: OK
tests/cases/cif_parser_test_075.inp: OK
tests/cases/cif_parser_test_020.inp: OK
tests/cases/cif_parser_test_101.inp: OK
tests/cases/cif_parser_test_026.inp: OK
tests/cases/cif_parser_test_108.inp: OK
tests/cases/cif_parser_test_025.inp: OK
tests/cases/cif_parser_test_004.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_018.inp: OK
tests/cases/cif_parser_test_015.inp: OK
tests/cases/cif_parser_test_072.inp: OK
tests/cases/cif_parser_test_089.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_014.inp: OK
tests/cases/cif_parser_test_109.inp: OK
tests/cases/cif_parser_test_016.inp: OK
tests/cases/cif_parser_test_005.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_076.inp: OK
tests/cases/cif_parser_test_085.inp: OK
tests/cases/cif_parser_test_047.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_037.inp: OK
tests/cases/cif_parser_test_009.inp: OK
tests/cases/cif_parser_test_007.inp: OK
tests/cases/cif_parser_test_053.inp: OK
tests/cases/cif_parser_test_028.inp: OK
tests/cases/cif_parser_test_055.inp: OK
tests/cases/cif_parser_test_086.inp: OK
tests/cases/cif_parser_test_056.inp: OK
tests/cases/cif_parser_test_079.inp: OK
tests/cases/cif_parser_test_064.inp: OK
tests/cases/cif_parser_test_069.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_104.inp: OK
tests/cases/cif_parser_test_106.inp: OK
tests/cases/cif_parser_test_017.inp: OK
tests/cases/cif_parser_test_107.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_057.inp: OK
tests/cases/cif_parser_test_008.inp: OK
tests/cases/cif_parser_test_024.inp: OK
tests/cases/cif_parser_test_065.inp: OK
tests/cases/cif_parser_test_091.inp: OK
tests/cases/cif_parser_test_116.inp: OK
tests/cases/cif_parser_test_044.inp: OK
tests/cases/cif_parser_test_071.inp: OK
tests/cases/cif_parser_test_096.inp: OK
tests/cases/cif_parser_test_061.inp: OK
tests/cases/cif_parser_test_077.inp: OK
tests/cases/cif_parser_test_051.inp: OK
tests/cases/cif_parser_test_019.inp: OK
tests/cases/cif_parser_test_083.inp: OK
tests/cases/cif_parser_test_067.inp: OK
tests/cases/cif_parser_test_082.inp: OK
tests/cases/cif_parser_test_087.inp: OK
tests/cases/cif_parser_test_088.inp: OK
tests/cases/cif_parser_test_023.inp: OK
tests/cases/cif_parser_test_034.inp: OK
tests/cases/cif_parser_test_066.inp: OK
tests/cases/cif_parser_test_032.inp: OK
tests/cases/cif_parser_test_006.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_117.inp: OK
tests/cases/cif_parser_test_036.inp: OK
tests/cases/cif_parser_test_081.inp: OK
tests/cases/cif_parser_test_043.inp: OK
tests/cases/cif_parser_test_080.inp: OK
tests/cases/cif_parser_test_045.inp: OK
tests/cases/cif_parser_test_090.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_027.inp: OK
tests/cases/cif_parser_test_074.inp: OK
tests/cases/cif_parser_test_094.inp: OK
tests/cases/cif_parser_test_003.inp: OK
tests/cases/cif_parser_test_046.inp: OK
tests/cases/cif_parser_test_002.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_100.inp: OK
tests/cases/cif_parser_test_033.inp: OK
tests/cases/cif_parser_test_029.inp: OK
tests/cases/cif_parser_test_119.inp: OK
tests/cases/cif_parser_test_103.inp: OK
tests/cases/cif_parser_test_097.inp: OK
tests/cases/cif_parser_test_105.inp: OK
tests/cases/cif_parser_test_054.inp: OK
tests/cases/cif_parser_test_102.inp: OK
tests/cases/cif_parser_test_001.inp: OK
build_cif_001: OK
tag_index_002: OK
build_cif_002: OK
unicode_001: OK
build_cif_003: OK
tag_index_001: OK
make[3]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/components/pycodcif'
sed 's/@VERSION@/2.3/' src/lib/perl5/COD/ToolsVersion.pmin > src/lib/perl5/COD/ToolsVersion.pm
make -C /<<BUILDDIR>>/cod-tools-2.3+dfsg/src/externals/getoptions/ \
lib/libgetoptions.a
make[3]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/externals/getoptions'
cc -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I../cexceptions -fPIC -M -MG tests/programs/topt.c > tests/programs/.topt.d
cc -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I../cexceptions -fPIC -M -MG getoptions.c > .getoptions.d
cc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I../cexceptions -fPIC -c getoptions.c -o obj/getoptions.o
ar cr lib/libgetoptions.a obj/getoptions.o
make[3]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/externals/getoptions'
make -C /<<BUILDDIR>>/cod-tools-2.3+dfsg/src/externals/getoptions/ tests
make[3]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/externals/getoptions'
cc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I../cexceptions -fPIC -Wl,-z,relro -Wl,-z,now -L../cexceptions/lib tests/programs/topt.c lib/libgetoptions.a -o tests/bin/topt -lm -lcexceptions
topt_005: OK
topt_003: OK
topt_001: OK
topt_004: OK
topt_002: OK
make[3]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/externals/getoptions'
make -C /<<BUILDDIR>>/cod-tools-2.3+dfsg/src/components/codcif/
make[3]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/components/codcif'
gcc -shared -Xlinker -soname=libcodcif.so.2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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="\"6652\"" -Wl,-z,relro -Wl,-z,now -o lib/libcodcif.so.2.3 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 obj/cif2_grammar.tab.o obj/cif_grammar.tab.o
sed 's/@VERSION@/2.3/' version.hin > version.h
gcc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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="\"6652\"" -Wl,-z,relro -Wl,-z,now -o cifparse programs/cifparse.c obj/cif2_grammar.tab.o obj/cif_grammar.tab.o lib/libcodcif.a ../../externals/cexceptions/lib/libcexceptions.a ../../externals/getoptions/lib/libgetoptions.a version.h -lm
gcc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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="\"6652\"" -Wl,-z,relro -Wl,-z,now -o cifvalues programs/cifvalues.c obj/cif2_grammar.tab.o obj/cif_grammar.tab.o lib/libcodcif.a ../../externals/cexceptions/lib/libcexceptions.a ../../externals/getoptions/lib/libgetoptions.a version.h -lm
gcc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -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="\"6652\"" -Wl,-z,relro -Wl,-z,now -o cif_list_tags programs/cif_list_tags.c obj/cif2_grammar.tab.o obj/cif_grammar.tab.o lib/libcodcif.a ../../externals/cexceptions/lib/libcexceptions.a ../../externals/getoptions/lib/libgetoptions.a version.h -lm
make[3]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+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: OK
tests/cases/cif2cod_002.inp: OK
tests/cases/cif2cod_003.inp: OK
tests/cases/cif2cod_004.inp: OK
tests/cases/cif2cod_005.inp: OK
tests/cases/cif2cod_006.inp: OK
tests/cases/cif2cod_007.inp: OK
tests/cases/cif2cod_008.inp: OK
tests/cases/cif2cod_009.inp: OK
tests/cases/cif2cod_010.inp: OK
tests/cases/cif2cod_011.inp: OK
tests/cases/cif2cod_012.inp: OK
tests/cases/cif2cod_013.inp: OK
tests/cases/cif2cod_014.inp: OK
tests/cases/cif2cod_015.inp: OK
tests/cases/cif2cod_016.inp: OK
tests/cases/cif2cod_017.inp: OK
tests/cases/cif2cod_018.inp: OK
tests/cases/cif2cod_019.inp: OK
tests/cases/cif2cod_020.inp: OK
tests/cases/cif2cod_021.inp: OK
tests/cases/cif2cod_022.inp: OK
tests/cases/cif2cod_023.inp: OK
tests/cases/cif2cod_024.inp: OK
tests/cases/cif2cod_025.inp: OK
tests/cases/cif2cod_026.inp: OK
tests/cases/cif2cod_027.inp: OK
tests/cases/cif2cod_028.inp: OK
tests/cases/cif2cod_029.inp: OK
tests/cases/cif2cod_030.opt: OK
tests/cases/cif2cod_031.inp: OK
tests/cases/cif2cod_032.inp: OK
tests/cases/cif2cod_033.inp: OK
tests/cases/cif2cod_034.opt: OK
tests/cases/cif2cod_035.opt: OK
tests/cases/cif2cod_036.inp: OK
tests/cases/cif2cod_037.inp: OK
tests/cases/cif2cod_038.inp: OK
tests/cases/cif2cod_039.inp: OK
tests/cases/cif2cod_040.inp: OK
tests/cases/cif2cod_041.inp: OK
tests/cases/cif2cod_042.inp: OK
tests/cases/cif2cod_043.inp: OK
tests/cases/cif2cod_044.inp: OK
tests/cases/cif2cod_045.inp: OK
tests/cases/cif2cod_046.inp: OK
tests/cases/cif2cod_047.opt: OK
tests/cases/cif2cod_048.inp: OK
tests/cases/cif2cod_049.inp: OK
tests/cases/cif2cod_050.inp: OK
tests/cases/cif2cod_051.inp: OK
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/cif2xyz_003.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_eval_numbers_007.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_filter_185.inp: OK
tests/cases/cif_filter_186.inp: OK
tests/cases/cif_filter_187.inp: OK
tests/cases/cif_filter_188.inp: OK
tests/cases/cif_filter_189.inp: OK
tests/cases/cif_filter_190.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: FAILED:
49,52c49,52
< V1 V 0.5 0.8222 0.25 0.00000 Uiso 1.00
< H2 H 0.5 0.5149 0.25 0.00000 Uiso 0.50
< O9 O 0 0.7111 0.25 0.00000 Uiso 1.00
< O10 O 0 0.9262 0.25 0.00000 Uiso 1.00
---
> V1 V 0.5 0.1778 0.75 0.00000 Uiso 1.00
> H2 H 0.5 0.4851 0.75 0.00000 Uiso 0.50
> O9 O 1 0.2889 0.75 0.00000 Uiso 1.00
> O10 O 1 0.0738 0.75 0.00000 Uiso 1.00
tests/cases/cif_find_symmetry_002.inp: OK
tests/cases/cif_find_symmetry_003.inp: FAILED:
71c71
< Co CO1 0 0 0 1.0 Uiso 0.00684 1
---
> Co CO1 0 0 1 1.0 Uiso 0.00684 1
tests/cases/cif_find_symmetry_004.inp: Test skipped - test only compatible with x86_64 architecture
tests/cases/cif_find_symmetry_005.inp: FAILED:
32,33c32,33
< _cell_angle_alpha 89.9999831346
< _cell_angle_beta 89.9999831346
---
> _cell_angle_alpha 90.0000168654
> _cell_angle_beta 90.0000168654
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: FAILED:
2c2
< _cell_length_a 4.01206506674
---
> _cell_length_a 4.01206456672
5,7c5,7
< _cell_angle_alpha 90.0000000001
< _cell_angle_beta 89.9999999995
< _cell_angle_gamma 120.000007695
---
> _cell_angle_alpha 89.9999999999
> _cell_angle_beta 89.9999999996
> _cell_angle_gamma 119.999995327
24,25c24,25
< Ac 0.333333333333 0.666666666667 0.666666666667
< Ac 0.666666666667 0.333333333333 0.555533333333
---
> Ac 1 0 0
> Ac 0.666666666667 0.333333333333 0.111133333333
31,38c31,38
< 3 -x+y+z,-x,z
< 4 x-y-z,x,-z
< 5 -y,x-y-z,z
< 6 y,-x+y+z,-z
< 7 x-y-z,-y,-z
< 8 -x+y+z,y,z
< 9 y,x,-z
< 10 -y,-x,z
---
> 3 -y,x-y-z,z
> 4 y,-x+y+z,-z
> 5 -x+y+z,-x,z
> 6 x-y-z,x,-z
> 7 y,x,-z
> 8 -y,-x,z
> 9 x-y-z,-y,-z
> 10 -x+y+z,y,z
tests/cases/cif_find_symmetry_009.inp: Test skipped - test only compatible with x86_64 architecture
tests/cases/cif_find_symmetry_010.inp: FAILED:
24,30c24,30
< P 0.218900714208 0.510309571145 0.347909813557
< Pb 0.288910247394 0.974939834676 0.230842029195
< Rb 0.0211902417679 0.503420081018 0.0431900563665
< S 0.610100489162 0.758760220631 0.131630004336
< S 0.398999796834 0.751419303727 0.375199884376
< S 0.15329988904 0.531599874438 0.231339788987
< S 0.0472002125432 0.0038999088182 0.0880601242954
---
> P 0.218900714208 0.0103095711448 0.347909813557
> Pb 0.288910247394 0.474939834676 0.230842029195
> Rb 0.0211902417679 0.00342008101785 0.0431900563665
> S 0.610100489162 0.258760220631 0.131630004336
> S 0.398999796834 0.251419303727 0.375199884376
> S 0.15329988904 0.0315998744378 0.231339788987
> S 0.0472002125432 0.503899908818 0.0880601242954
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:
6c6
< _cell_angle_alpha 90.0000002967
---
> _cell_angle_alpha 89.9999997033
8c8
< _cell_angle_gamma 89.9999852376
---
> _cell_angle_gamma 90.0000147624
39c39
< H 0.999999090751 0.249999090752 0.249930794315 1
---
> H 9.09248499992e-07 0.749999090751 0.750069205684 1
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_fix_values_119.inp: OK
tests/cases/cif_fix_values_120.inp: OK
tests/cases/cif_fix_values_121.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_select_012.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: OK
tests/cases/cif_tcod_tree_002.inp: OK
tests/cases/cif_tcod_tree_003.inp: OK
tests/cases/cif_tcod_tree_004.inp: OK
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_validate_040.inp: OK
tests/cases/cif_validate_041.inp: OK
tests/cases/cif_validate_042.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:
1,353c1,128
< 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, the _cell_formula_units_Z data item is missing -- the Z value will be estimated.
> scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, not enough data to estimate Z; cell volume undefined; crystal density undefined; molecular weight undefined -- assuming Z = 1.
> 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´ -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´
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 2.4.5 from 2014-11-21.
< 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 <script_name> line <line_no>.
> 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 2.4.5 from 2014-11-21 (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 2.4.5 from 2014-11-21 (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 2.4.5 from 2014-11-21 (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 2.4.5 from 2014-11-21 (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/sdf_add_cod_data_004.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/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/have_equiv_timestamps_001.sh: OK
tests/shtests/neighbour_list_from_obmol_003.sh: ./tests/shtests/neighbour_list_from_obmol_003.chk: 3: ./tests/shtests/neighbour_list_from_obmol_003.chk: babel: not found
Test skipped - test only compatible with Open Babel version 2.3.0
tests/shtests/have_equiv_lattices_009.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_006.sh: OK
tests/shtests/have_equiv_bibliographies_007.sh: OK
tests/shtests/cif2json_002.sh: OK
tests/shtests/has_inapplicable_value_003.sh: OK
tests/shtests/check_occupancies_002.sh: OK
tests/shtests/cif_tcod_tree_006.sh: OK
tests/shtests/cif_tcod_tree_007.sh: FAILED:
6a7,8
> ./tmp-cif_tcod_tree_007/0/.aiida/job_tmpl.json
> ./tmp-cif_tcod_tree_007/0/_aiidasubmit.sh
9d10
< ./tmp-cif_tcod_tree_007/0/.aiida/job_tmpl.json
11d11
< ./tmp-cif_tcod_tree_007/0/_aiidasubmit.sh
14a15,16
> ./tmp-cif_tcod_tree_007/1/.aiida/job_tmpl.json
> ./tmp-cif_tcod_tree_007/1/_aiidasubmit.sh
17d18
< ./tmp-cif_tcod_tree_007/1/.aiida/job_tmpl.json
19d19
< ./tmp-cif_tcod_tree_007/1/_aiidasubmit.sh
22a23,24
> ./tmp-cif_tcod_tree_007/2/.aiida/job_tmpl.json
> ./tmp-cif_tcod_tree_007/2/_aiidasubmit.sh
25d26
< ./tmp-cif_tcod_tree_007/2/.aiida/job_tmpl.json
27d27
< ./tmp-cif_tcod_tree_007/2/_aiidasubmit.sh
41d40
< ./tmp-cif_tcod_tree_007/aiida/nodes/04/5a/e3a9-0c2d-413f-b0f0-76d2af9cd73b/raw_input/aiida.in
43a43
> ./tmp-cif_tcod_tree_007/aiida/nodes/04/5a/e3a9-0c2d-413f-b0f0-76d2af9cd73b/raw_input/aiida.in
48,49d47
< ./tmp-cif_tcod_tree_007/aiida/nodes/09/3c/bbf4-9880-4989-b9b2-5416cded56bb/path/aiida.err
< ./tmp-cif_tcod_tree_007/aiida/nodes/09/3c/bbf4-9880-4989-b9b2-5416cded56bb/path/aiida.out
51a50,51
> ./tmp-cif_tcod_tree_007/aiida/nodes/09/3c/bbf4-9880-4989-b9b2-5416cded56bb/path/aiida.err
> ./tmp-cif_tcod_tree_007/aiida/nodes/09/3c/bbf4-9880-4989-b9b2-5416cded56bb/path/aiida.out
66d65
< ./tmp-cif_tcod_tree_007/aiida/nodes/24/e1/40e8-a41e-42c7-bea9-70d00167068d/raw_input/aiida.in
68a68
> ./tmp-cif_tcod_tree_007/aiida/nodes/24/e1/40e8-a41e-42c7-bea9-70d00167068d/raw_input/aiida.in
75d74
< ./tmp-cif_tcod_tree_007/aiida/nodes/3e/35/c0b6-c486-4172-8f40-7e9391f89b02/raw_input/aiida.in
77a77
> ./tmp-cif_tcod_tree_007/aiida/nodes/3e/35/c0b6-c486-4172-8f40-7e9391f89b02/raw_input/aiida.in
82,83d81
< ./tmp-cif_tcod_tree_007/aiida/nodes/4f/9b/2efe-be20-4098-b6a5-1d9d7beb43c3/path/aiida.err
< ./tmp-cif_tcod_tree_007/aiida/nodes/4f/9b/2efe-be20-4098-b6a5-1d9d7beb43c3/path/aiida.out
85a84,85
> ./tmp-cif_tcod_tree_007/aiida/nodes/4f/9b/2efe-be20-4098-b6a5-1d9d7beb43c3/path/aiida.err
> ./tmp-cif_tcod_tree_007/aiida/nodes/4f/9b/2efe-be20-4098-b6a5-1d9d7beb43c3/path/aiida.out
95,96d94
< ./tmp-cif_tcod_tree_007/aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path/aiida.err
< ./tmp-cif_tcod_tree_007/aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path/aiida.out
98a97,98
> ./tmp-cif_tcod_tree_007/aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path/aiida.err
> ./tmp-cif_tcod_tree_007/aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path/aiida.out
tests/shtests/cif_tcod_tree_003.sh: FAILED:
7,8d6
< ./tmp-cif_tcod_tree_003/0/aiida.err
< ./tmp-cif_tcod_tree_003/0/aiida.in
10d7
< ./tmp-cif_tcod_tree_003/0/aiida.out
13a11,13
> ./tmp-cif_tcod_tree_003/0/aiida.err
> ./tmp-cif_tcod_tree_003/0/aiida.in
> ./tmp-cif_tcod_tree_003/0/aiida.out
17,18d16
< ./tmp-cif_tcod_tree_003/1/aiida.err
< ./tmp-cif_tcod_tree_003/1/aiida.in
20d17
< ./tmp-cif_tcod_tree_003/1/aiida.out
23a21,23
> ./tmp-cif_tcod_tree_003/1/aiida.err
> ./tmp-cif_tcod_tree_003/1/aiida.in
> ./tmp-cif_tcod_tree_003/1/aiida.out
27,28d26
< ./tmp-cif_tcod_tree_003/2/aiida.err
< ./tmp-cif_tcod_tree_003/2/aiida.in
30d27
< ./tmp-cif_tcod_tree_003/2/aiida.out
33a31,33
> ./tmp-cif_tcod_tree_003/2/aiida.err
> ./tmp-cif_tcod_tree_003/2/aiida.in
> ./tmp-cif_tcod_tree_003/2/aiida.out
40,41d39
< ./tmp-cif_tcod_tree_003/3/aiida.err
< ./tmp-cif_tcod_tree_003/3/aiida.in
43d40
< ./tmp-cif_tcod_tree_003/3/aiida.out
46a44,46
> ./tmp-cif_tcod_tree_003/3/aiida.err
> ./tmp-cif_tcod_tree_003/3/aiida.in
> ./tmp-cif_tcod_tree_003/3/aiida.out
tests/shtests/cif_printout_Python_003.sh: OK
tests/shtests/have_equiv_timestamps_009.sh: OK
tests/shtests/cif_split_primitive_001.sh: OK
tests/shtests/cod_manage_related_001.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/set_loop_tag_012.sh: OK
tests/shtests/are_equiv_meas_006.sh: OK
tests/shtests/cif_split_primitive_005.sh: OK
tests/shtests/have_equiv_lattices_004.sh: OK
tests/shtests/sprint_message_001.sh: OK
tests/shtests/symop_algebra_002.sh: OK
tests/shtests/check_spacegroups_005.sh: OK
tests/shtests/cif2json_003.sh: OK
tests/shtests/cif_CODify_001.sh: OK
tests/shtests/have_equiv_bibliographies_005.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/set_loop_tag_006.sh: OK
tests/shtests/cif_hkl_check_001.sh: OK
tests/shtests/cif_printout_Python_001.sh: OK
tests/shtests/set_loop_tag_009.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/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/have_equiv_bibliographies_008.sh: OK
tests/shtests/utf8-to-cif_001.sh: OK
tests/shtests/have_equiv_lattices_006.sh: OK
tests/shtests/neighbour_list_from_obmol_002.sh: ./tests/shtests/neighbour_list_from_obmol_002.chk: 3: ./tests/shtests/neighbour_list_from_obmol_002.chk: babel: not found
Test skipped - test only compatible with Open Babel version 2.3.0
tests/shtests/check_mandatory_presence_003.sh: OK
tests/shtests/check_version_option.sh: FAILED:
0a1
> scripts/cif_parse_old_star: No --version option
tests/shtests/cif_hkl_check_002.sh: OK
tests/shtests/cif_split_primitive_002.sh: OK
tests/shtests/have_equiv_timestamps_006.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/cif-to-utf8_001.sh: OK
tests/shtests/check_occupancies_003.sh: OK
tests/shtests/have_equiv_bibliographies_004.sh: OK
tests/shtests/cif_cod_numbers_001.sh: Test skipped - not running tests requiring network access
tests/shtests/set_loop_tag_013.sh: OK
tests/shtests/are_equiv_meas_001.sh: OK
tests/shtests/check_option_descriptions.sh: FAILED:
1a2
> 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", "--placeholder-tag-list", "--exclude-placeholder-tags", "--no-exclude-placeholder-tags", "--dont-exclude-placeholder-tags", "--exclude-redundant-chemical-names", "--dont-exclude-redundant-chemical-names", "--no-exclude-redundant-chemical-names", "--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.
4d4
< 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", "--placeholder-tag-list", "--exclude-placeholder-tags", "--no-exclude-placeholder-tags", "--dont-exclude-placeholder-tags", "--exclude-redundant-chemical-names", "--dont-exclude-redundant-chemical-names", "--no-exclude-redundant-chemical-names", "--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.
7a8
> scripts/cif_parse_old_star: options "--help", "--usage", "--version" are not described in help.
tests/shtests/cif_split_primitive_008.sh: OK
tests/shtests/cif_split_001.sh: OK
tests/shtests/cif_find_duplicates_006.sh: OK
tests/shtests/have_equiv_timestamps_004.sh: OK
tests/shtests/cif_printout_Python_005.sh: OK
tests/shtests/cif_split_primitive_004.sh: OK
tests/shtests/have_equiv_lattices_002.sh: OK
tests/shtests/formula_sum_001.sh: OK
tests/shtests/set_loop_tag_008.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: OK
tests/shtests/set_tag_001.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/cif_split_primitive_009.sh: OK
tests/shtests/set_loop_tag_003.sh: OK
tests/shtests/set_loop_tag_005.sh: OK
tests/shtests/find_numbers_002.sh: OK
tests/shtests/set_loop_tag_004.sh: OK
tests/shtests/check_help_option.sh: FAILED:
0a1,2
> Can't locate STAR/Parser.pm in @INC (you may need to install the STAR::Parser module) (@INC contains: /<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/arm-linux-gnueabihf/perl/5.28.1 /usr/local/share/perl/5.28.1 /usr/lib/arm-linux-gnueabihf/perl5/5.28 /usr/share/perl5 /usr/lib/arm-linux-gnueabihf/perl/5.28 /usr/share/perl/5.28 /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/parse_datetime_001.sh: OK
tests/shtests/have_equiv_lattices_008.sh: OK
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/have_equiv_timestamps_007.sh: OK
tests/shtests/cif_split_primitive_003.sh: OK
tests/shtests/has_special_value_001.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/neighbour_list_from_mol_001.sh: Test skipped - no Chemistry::Mol and/or Chemistry::File::SMILES
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_004.sh: OK
tests/shtests/cif_tcod_tree_005.sh: FAILED:
6a7,8
> ./tmp-cif_tcod_tree_005/0/.aiida/job_tmpl.json
> ./tmp-cif_tcod_tree_005/0/_aiidasubmit.sh
9d10
< ./tmp-cif_tcod_tree_005/0/.aiida/job_tmpl.json
11d11
< ./tmp-cif_tcod_tree_005/0/_aiidasubmit.sh
14a15,16
> ./tmp-cif_tcod_tree_005/1/.aiida/job_tmpl.json
> ./tmp-cif_tcod_tree_005/1/_aiidasubmit.sh
17d18
< ./tmp-cif_tcod_tree_005/1/.aiida/job_tmpl.json
19d19
< ./tmp-cif_tcod_tree_005/1/_aiidasubmit.sh
22a23,24
> ./tmp-cif_tcod_tree_005/2/.aiida/job_tmpl.json
> ./tmp-cif_tcod_tree_005/2/_aiidasubmit.sh
25d26
< ./tmp-cif_tcod_tree_005/2/.aiida/job_tmpl.json
27d27
< ./tmp-cif_tcod_tree_005/2/_aiidasubmit.sh
41d40
< ./tmp-cif_tcod_tree_005/aiida/nodes/04/5a/e3a9-0c2d-413f-b0f0-76d2af9cd73b/raw_input/aiida.in
43a43
> ./tmp-cif_tcod_tree_005/aiida/nodes/04/5a/e3a9-0c2d-413f-b0f0-76d2af9cd73b/raw_input/aiida.in
48,49d47
< ./tmp-cif_tcod_tree_005/aiida/nodes/09/3c/bbf4-9880-4989-b9b2-5416cded56bb/path/aiida.err
< ./tmp-cif_tcod_tree_005/aiida/nodes/09/3c/bbf4-9880-4989-b9b2-5416cded56bb/path/aiida.out
51a50,51
> ./tmp-cif_tcod_tree_005/aiida/nodes/09/3c/bbf4-9880-4989-b9b2-5416cded56bb/path/aiida.err
> ./tmp-cif_tcod_tree_005/aiida/nodes/09/3c/bbf4-9880-4989-b9b2-5416cded56bb/path/aiida.out
66d65
< ./tmp-cif_tcod_tree_005/aiida/nodes/24/e1/40e8-a41e-42c7-bea9-70d00167068d/raw_input/aiida.in
68a68
> ./tmp-cif_tcod_tree_005/aiida/nodes/24/e1/40e8-a41e-42c7-bea9-70d00167068d/raw_input/aiida.in
75d74
< ./tmp-cif_tcod_tree_005/aiida/nodes/3e/35/c0b6-c486-4172-8f40-7e9391f89b02/raw_input/aiida.in
77a77
> ./tmp-cif_tcod_tree_005/aiida/nodes/3e/35/c0b6-c486-4172-8f40-7e9391f89b02/raw_input/aiida.in
82,83d81
< ./tmp-cif_tcod_tree_005/aiida/nodes/4f/9b/2efe-be20-4098-b6a5-1d9d7beb43c3/path/aiida.err
< ./tmp-cif_tcod_tree_005/aiida/nodes/4f/9b/2efe-be20-4098-b6a5-1d9d7beb43c3/path/aiida.out
85a84,85
> ./tmp-cif_tcod_tree_005/aiida/nodes/4f/9b/2efe-be20-4098-b6a5-1d9d7beb43c3/path/aiida.err
> ./tmp-cif_tcod_tree_005/aiida/nodes/4f/9b/2efe-be20-4098-b6a5-1d9d7beb43c3/path/aiida.out
95,96d94
< ./tmp-cif_tcod_tree_005/aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path/aiida.err
< ./tmp-cif_tcod_tree_005/aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path/aiida.out
98a97,98
> ./tmp-cif_tcod_tree_005/aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path/aiida.err
> ./tmp-cif_tcod_tree_005/aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path/aiida.out
tests/shtests/cif_printout_Python_004.sh: OK
tests/shtests/cif_disorder_groups_007.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_split_primitive_007.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/check_spacegroups_003.sh: OK
tests/shtests/cif_find_duplicates_002.sh: OK
tests/shtests/cif_find_duplicates_008.sh: OK
tests/shtests/escape_001.sh: OK
tests/shtests/have_equiv_bibliographies_003.sh: OK
tests/shtests/new_datablock_001.sh: OK
tests/shtests/are_equiv_meas_004.sh: OK
tests/shtests/canonicalize_author_name_001.sh: OK
tests/shtests/set_loop_tag_002.sh: OK
tests/shtests/cod_manage_related_002.sh: OK
tests/shtests/cif2json_005.sh: OK
tests/shtests/find_numbers_003.sh: OK
tests/shtests/find_numbers_004.sh: OK
tests/shtests/cif_filter_001.sh: OK
tests/shtests/have_equiv_lattices_001.sh: OK
tests/shtests/have_equiv_lattices_007.sh: OK
tests/shtests/have_equiv_bibliographies_006.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/check_mandatory_presence_004.sh: OK
tests/shtests/check_spacegroups_001.sh: OK
tests/shtests/cif_find_duplicates_005.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/have_equiv_bibliographies_009.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/has_inapplicable_value_002.sh: OK
tests/shtests/cif_tcod_tree_002.sh: OK
tests/shtests/rename_tag_001.sh: OK
tests/shtests/cif_printout_Python_002.sh: OK
tests/shtests/have_equiv_timestamps_005.sh: OK
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_find_duplicates_007.sh: OK
tests/shtests/parse_datetime_002.sh: OK
tests/shtests/cif_print_loop_001.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: ./tests/shtests/neighbour_list_from_obmol_001.chk: 3: ./tests/shtests/neighbour_list_from_obmol_001.chk: babel: not found
Test skipped - test only compatible with Open Babel version 2.3.0
tests/shtests/cif_find_duplicates_003.sh: OK
tests/shtests/are_equiv_meas_003.sh: OK
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/cif_parse_001.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:
7,8d6
< ./tmp-cif_tcod_tree_001/0/aiida.err
< ./tmp-cif_tcod_tree_001/0/aiida.in
10d7
< ./tmp-cif_tcod_tree_001/0/aiida.out
13a11,13
> ./tmp-cif_tcod_tree_001/0/aiida.err
> ./tmp-cif_tcod_tree_001/0/aiida.in
> ./tmp-cif_tcod_tree_001/0/aiida.out
17,18d16
< ./tmp-cif_tcod_tree_001/1/aiida.err
< ./tmp-cif_tcod_tree_001/1/aiida.in
20d17
< ./tmp-cif_tcod_tree_001/1/aiida.out
23a21,23
> ./tmp-cif_tcod_tree_001/1/aiida.err
> ./tmp-cif_tcod_tree_001/1/aiida.in
> ./tmp-cif_tcod_tree_001/1/aiida.out
27,28d26
< ./tmp-cif_tcod_tree_001/2/aiida.err
< ./tmp-cif_tcod_tree_001/2/aiida.in
30d27
< ./tmp-cif_tcod_tree_001/2/aiida.out
33a31,33
> ./tmp-cif_tcod_tree_001/2/aiida.err
> ./tmp-cif_tcod_tree_001/2/aiida.in
> ./tmp-cif_tcod_tree_001/2/aiida.out
40,41d39
< ./tmp-cif_tcod_tree_001/3/aiida.err
< ./tmp-cif_tcod_tree_001/3/aiida.in
43d40
< ./tmp-cif_tcod_tree_001/3/aiida.out
46a44,46
> ./tmp-cif_tcod_tree_001/3/aiida.err
> ./tmp-cif_tcod_tree_001/3/aiida.in
> ./tmp-cif_tcod_tree_001/3/aiida.out
tests/shtests/cif_cod_numbers_002.sh: Test skipped - not running tests requiring network access
tests/shtests/are_equiv_meas_002.sh: OK
tests/shtests/have_equiv_timestamps_008.sh: OK
tests/shtests/cif_split_002.sh: OK
tests/shtests/cod_manage_related_003.sh: OK
tests/shtests/cif2json_004.sh: OK
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
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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
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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
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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[2]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg'
dh_auto_build -O--buildsystem=pybuild -- --dir src/components/pycodcif
I: pybuild base:217: /usr/bin/python setup.py build
running build
running build_py
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-armhf-2.7
creating build/temp.linux-armhf-2.7/src
creating build/temp.linux-armhf-2.7/src/externals
creating build/temp.linux-armhf-2.7/src/externals/cexceptions
creating build/temp.linux-armhf-2.7/src/components
creating build/temp.linux-armhf-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/externals/cexceptions/cxprintf.c -o build/temp.linux-armhf-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/externals/cexceptions/stringx.c -o build/temp.linux-armhf-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/externals/cexceptions/allocx.c -o build/temp.linux-armhf-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/externals/cexceptions/stdiox.c -o build/temp.linux-armhf-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/externals/cexceptions/cexceptions.c -o build/temp.linux-armhf-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif_options.c -o build/temp.linux-armhf-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/common.c -o build/temp.linux-armhf-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/ciftable.c -o build/temp.linux-armhf-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif2_lexer.c -o build/temp.linux-armhf-2.7/src/components/codcif/cif2_lexer.o
src/components/codcif/cif2_lexer.c: In function 'pushchar':
src/components/codcif/cif2_lexer.c:599:21: 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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cifvalue.c -o build/temp.linux-armhf-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cifmessage.c -o build/temp.linux-armhf-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif_grammar_flex.c -o build/temp.linux-armhf-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif_lexer.c -o build/temp.linux-armhf-2.7/src/components/codcif/cif_lexer.o
src/components/codcif/cif_lexer.c: In function 'pushchar':
src/components/codcif/cif_lexer.c:506:21: 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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif.c -o build/temp.linux-armhf-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/datablock.c -o build/temp.linux-armhf-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif_compiler.c -o build/temp.linux-armhf-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/ciflist.c -o build/temp.linux-armhf-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif_grammar.tab.c -o build/temp.linux-armhf-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif2_grammar.tab.c -o build/temp.linux-armhf-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c pycodcif_wrap.c -o build/temp.linux-armhf-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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c pycodcif.c -o build/temp.linux-armhf-2.7/pycodcif.o
creating /<<BUILDDIR>>/cod-tools-2.3+dfsg/.pybuild/cpython2_2.7_pycodcif/build/pycodcif
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/python2.7-7yWIbs/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 build/temp.linux-armhf-2.7/src/externals/cexceptions/cxprintf.o build/temp.linux-armhf-2.7/src/externals/cexceptions/stringx.o build/temp.linux-armhf-2.7/src/externals/cexceptions/allocx.o build/temp.linux-armhf-2.7/src/externals/cexceptions/stdiox.o build/temp.linux-armhf-2.7/src/externals/cexceptions/cexceptions.o build/temp.linux-armhf-2.7/src/components/codcif/cif_options.o build/temp.linux-armhf-2.7/src/components/codcif/common.o build/temp.linux-armhf-2.7/src/components/codcif/ciftable.o build/temp.linux-armhf-2.7/src/components/codcif/cif2_lexer.o build/temp.linux-armhf-2.7/src/components/codcif/cifvalue.o build/temp.linux-armhf-2.7/src/components/codcif/cifmessage.o build/temp.linux-armhf-2.7/src/components/codcif/cif_grammar_flex.o build/temp.linux-armhf-2.7/src/components/codcif/cif_lexer.o build/temp.linux-armhf-2.7/src/components/codcif/cif.o build/temp.linux-armhf-2.7/src/components/codcif/datablock.o build/temp.linux-armhf-2.7/src/components/codcif/cif_compiler.o build/temp.linux-armhf-2.7/src/components/codcif/ciflist.o build/temp.linux-armhf-2.7/src/components/codcif/cif_grammar.tab.o build/temp.linux-armhf-2.7/src/components/codcif/cif2_grammar.tab.o build/temp.linux-armhf-2.7/pycodcif_wrap.o build/temp.linux-armhf-2.7/pycodcif.o -o /<<BUILDDIR>>/cod-tools-2.3+dfsg/.pybuild/cpython2_2.7_pycodcif/build/pycodcif/_pycodcif.so
copying ./__init__.py -> /<<BUILDDIR>>/cod-tools-2.3+dfsg/.pybuild/cpython2_2.7_pycodcif/build/pycodcif
copying ./pycodcif.py -> /<<BUILDDIR>>/cod-tools-2.3+dfsg/.pybuild/cpython2_2.7_pycodcif/build/pycodcif
I: pybuild base:217: /usr/bin/python3 setup.py build
running build
running build_py
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-armhf-3.7
creating build/temp.linux-armhf-3.7/src
creating build/temp.linux-armhf-3.7/src/externals
creating build/temp.linux-armhf-3.7/src/externals/cexceptions
creating build/temp.linux-armhf-3.7/src/components
creating build/temp.linux-armhf-3.7/src/components/codcif
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/externals/cexceptions/cxprintf.c -o build/temp.linux-armhf-3.7/src/externals/cexceptions/cxprintf.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/externals/cexceptions/stringx.c -o build/temp.linux-armhf-3.7/src/externals/cexceptions/stringx.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/externals/cexceptions/allocx.c -o build/temp.linux-armhf-3.7/src/externals/cexceptions/allocx.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/externals/cexceptions/stdiox.c -o build/temp.linux-armhf-3.7/src/externals/cexceptions/stdiox.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/externals/cexceptions/cexceptions.c -o build/temp.linux-armhf-3.7/src/externals/cexceptions/cexceptions.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/components/codcif/cif_options.c -o build/temp.linux-armhf-3.7/src/components/codcif/cif_options.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/components/codcif/common.c -o build/temp.linux-armhf-3.7/src/components/codcif/common.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/components/codcif/ciftable.c -o build/temp.linux-armhf-3.7/src/components/codcif/ciftable.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/components/codcif/cif2_lexer.c -o build/temp.linux-armhf-3.7/src/components/codcif/cif2_lexer.o
src/components/codcif/cif2_lexer.c: In function 'pushchar':
src/components/codcif/cif2_lexer.c:599:21: 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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/components/codcif/cifvalue.c -o build/temp.linux-armhf-3.7/src/components/codcif/cifvalue.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/components/codcif/cifmessage.c -o build/temp.linux-armhf-3.7/src/components/codcif/cifmessage.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/components/codcif/cif_grammar_flex.c -o build/temp.linux-armhf-3.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/components/codcif/cif_lexer.c -o build/temp.linux-armhf-3.7/src/components/codcif/cif_lexer.o
src/components/codcif/cif_lexer.c: In function 'pushchar':
src/components/codcif/cif_lexer.c:506:21: 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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/components/codcif/cif.c -o build/temp.linux-armhf-3.7/src/components/codcif/cif.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/components/codcif/datablock.c -o build/temp.linux-armhf-3.7/src/components/codcif/datablock.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/components/codcif/cif_compiler.c -o build/temp.linux-armhf-3.7/src/components/codcif/cif_compiler.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/components/codcif/ciflist.c -o build/temp.linux-armhf-3.7/src/components/codcif/ciflist.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/components/codcif/cif_grammar.tab.c -o build/temp.linux-armhf-3.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/components/codcif/cif2_grammar.tab.c -o build/temp.linux-armhf-3.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c pycodcif_wrap.c -o build/temp.linux-armhf-3.7/pycodcif_wrap.o
arm-linux-gnueabihf-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c pycodcif.c -o build/temp.linux-armhf-3.7/pycodcif.o
creating /<<BUILDDIR>>/cod-tools-2.3+dfsg/.pybuild/cpython3_3.7_pycodcif/build/pycodcif
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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 build/temp.linux-armhf-3.7/src/externals/cexceptions/cxprintf.o build/temp.linux-armhf-3.7/src/externals/cexceptions/stringx.o build/temp.linux-armhf-3.7/src/externals/cexceptions/allocx.o build/temp.linux-armhf-3.7/src/externals/cexceptions/stdiox.o build/temp.linux-armhf-3.7/src/externals/cexceptions/cexceptions.o build/temp.linux-armhf-3.7/src/components/codcif/cif_options.o build/temp.linux-armhf-3.7/src/components/codcif/common.o build/temp.linux-armhf-3.7/src/components/codcif/ciftable.o build/temp.linux-armhf-3.7/src/components/codcif/cif2_lexer.o build/temp.linux-armhf-3.7/src/components/codcif/cifvalue.o build/temp.linux-armhf-3.7/src/components/codcif/cifmessage.o build/temp.linux-armhf-3.7/src/components/codcif/cif_grammar_flex.o build/temp.linux-armhf-3.7/src/components/codcif/cif_lexer.o build/temp.linux-armhf-3.7/src/components/codcif/cif.o build/temp.linux-armhf-3.7/src/components/codcif/datablock.o build/temp.linux-armhf-3.7/src/components/codcif/cif_compiler.o build/temp.linux-armhf-3.7/src/components/codcif/ciflist.o build/temp.linux-armhf-3.7/src/components/codcif/cif_grammar.tab.o build/temp.linux-armhf-3.7/src/components/codcif/cif2_grammar.tab.o build/temp.linux-armhf-3.7/pycodcif_wrap.o build/temp.linux-armhf-3.7/pycodcif.o -o /<<BUILDDIR>>/cod-tools-2.3+dfsg/.pybuild/cpython3_3.7_pycodcif/build/pycodcif/_pycodcif.cpython-37m-arm-linux-gnueabihf.so
copying ./__init__.py -> /<<BUILDDIR>>/cod-tools-2.3+dfsg/.pybuild/cpython3_3.7_pycodcif/build/pycodcif
copying ./pycodcif.py -> /<<BUILDDIR>>/cod-tools-2.3+dfsg/.pybuild/cpython3_3.7_pycodcif/build/pycodcif
make[1]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+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-2.3+dfsg'
dh_auto_install -- PREFIX=/<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr
make -j1 install DESTDIR=/<<BUILDDIR>>/cod-tools-2.3\+dfsg/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" PREFIX=/<<BUILDDIR>>/cod-tools-2.3\+dfsg/debian/tmp/usr
make[2]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg'
make -C src
make[3]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src'
make[4]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/externals'
make[5]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/externals/cexceptions'
cc -shared -Xlinker -soname=libcexceptions.so.0 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -Wl,-z,relro -Wl,-z,now -L../cexceptions/lib -o lib/libcexceptions.so.0.01 obj/cxprintf.o obj/stringx.o obj/allocx.o obj/stdiox.o obj/cexceptions.o
cc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -c tests/subsystem_a.c -o obj/subsystem_a.o
cc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -c tests/subsystem_b.c -o obj/subsystem_b.o
cc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -Wl,-z,relro -Wl,-z,now -L../cexceptions/lib tests/programs/texceptions.c obj/subsystem_a.o obj/subsystem_b.o lib/libcexceptions.a -o bin/texceptions -lm -lcexceptions
cc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -Wl,-z,relro -Wl,-z,now -L../cexceptions/lib tests/programs/fopenx.c obj/subsystem_a.o obj/subsystem_b.o lib/libcexceptions.a -o bin/fopenx -lm -lcexceptions
cc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -Wl,-z,relro -Wl,-z,now -L../cexceptions/lib tests/programs/tfinaly.c obj/subsystem_a.o obj/subsystem_b.o lib/libcexceptions.a -o bin/tfinaly -lm -lcexceptions
cc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -Wl,-z,relro -Wl,-z,now -L../cexceptions/lib tests/programs/tsubsystems.c obj/subsystem_a.o obj/subsystem_b.o lib/libcexceptions.a -o bin/tsubsystems -lm -lcexceptions
cc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -Wl,-z,relro -Wl,-z,now -L../cexceptions/lib tests/programs/tstrdupx.c obj/subsystem_a.o obj/subsystem_b.o lib/libcexceptions.a -o bin/tstrdupx -lm -lcexceptions
cc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -Wl,-z,relro -Wl,-z,now -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-2.3+dfsg/src/externals/cexceptions'
make[5]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/externals/getoptions'
cc -shared -Xlinker -soname=libgetoptions.so.0 -g -O2 -fdebug-prefix-map=/<<BUILDDIR>>/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I../cexceptions -fPIC -Wl,-z,relro -Wl,-z,now -L../cexceptions/lib -o lib/libgetoptions.so.0.01 obj/getoptions.o
make[5]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/externals/getoptions'
make[4]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/externals'
make[4]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/components'
make[5]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/components/codcif'
make[5]: Nothing to be done for 'all'.
make[5]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/components/codcif'
make[5]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/components/pycodcif'
make[5]: Nothing to be done for 'all'.
make[5]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/components/pycodcif'
make[4]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/components'
make[4]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib'
make[5]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5'
make[6]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD'
make[7]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/SPGLib'
make[7]: Nothing to be done for 'all'.
make[7]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/SPGLib'
make[7]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae'
make[8]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser'
make[9]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/AdHoc'
make[9]: Nothing to be done for 'all'.
make[9]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/AdHoc'
make[9]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/IUCr'
make[9]: Nothing to be done for 'all'.
make[9]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/IUCr'
make[8]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser'
make[7]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae'
make[7]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF'
make[8]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser'
make[9]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Yapp'
make[9]: Nothing to be done for 'all'.
make[9]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Yapp'
make[9]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Bison'
make[9]: Nothing to be done for 'all'.
make[9]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Bison'
make[8]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser'
make[7]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF'
make[6]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD'
make[5]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5'
make[4]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib'
make[3]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src'
make install -C src
make[3]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src'
make[4]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/externals'
make[5]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/externals/cexceptions'
mkdir -p /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/include
mkdir -p /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/lib
cp *.h /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/include
cp lib/libcexceptions.a lib/libcexceptions.so.0.01 /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/lib
ln -fs libcexceptions.so.0.01 /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/lib/libcexceptions.so.0
ln -fs libcexceptions.so.0 /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/lib/libcexceptions.so
make[5]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/externals/cexceptions'
make[5]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/externals/getoptions'
mkdir -p /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/include
mkdir -p /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/lib
cp *.h /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/include
cp lib/libgetoptions.a lib/libgetoptions.so.0.01 /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/lib
ln -fs libgetoptions.so.0.01 /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/lib/libgetoptions.so.0
ln -fs libgetoptions.so.0 /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/lib/libgetoptions.so
make[5]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/externals/getoptions'
make[4]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/externals'
make[4]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/components'
make[5]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/components/codcif'
mkdir -p /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/include
mkdir -p /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/lib
mkdir -p /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/bin
cp *.h /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/include
cp lib/libcodcif.a lib/libcodcif.so.2.3 /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/lib
cp cifparse cifvalues cif_list_tags /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/bin
ln -fs libcodcif.so.2.3 /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/lib/libcodcif.so.2
ln -fs libcodcif.so.2 /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/lib/libcodcif.so
make[5]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/components/codcif'
make[5]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/components/pycodcif'
python setup.py install --root /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr
running install
running build
running build_py
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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/externals/cexceptions/cxprintf.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/externals/cexceptions/stringx.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/externals/cexceptions/allocx.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/externals/cexceptions/stdiox.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/externals/cexceptions/cexceptions.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif_options.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/common.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/ciftable.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif2_lexer.c -o build/temp.linux-armv7l-2.7/src/components/codcif/cif2_lexer.o
src/components/codcif/cif2_lexer.c: In function 'pushchar':
src/components/codcif/cif2_lexer.c:599:21: 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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cifvalue.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cifmessage.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif_grammar_flex.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif_lexer.c -o build/temp.linux-armv7l-2.7/src/components/codcif/cif_lexer.o
src/components/codcif/cif_lexer.c: In function 'pushchar':
src/components/codcif/cif_lexer.c:506:21: 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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/datablock.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif_compiler.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/ciflist.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif_grammar.tab.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif2_grammar.tab.c -o build/temp.linux-armv7l-2.7/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c pycodcif.c -o build/temp.linux-armv7l-2.7/pycodcif.o
creating build/lib.linux-armv7l-2.7
creating build/lib.linux-armv7l-2.7/pycodcif
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/python2.7-7yWIbs/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-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 build/temp.linux-armv7l-2.7/src/externals/cexceptions/cxprintf.o build/temp.linux-armv7l-2.7/src/externals/cexceptions/stringx.o build/temp.linux-armv7l-2.7/src/externals/cexceptions/allocx.o build/temp.linux-armv7l-2.7/src/externals/cexceptions/stdiox.o build/temp.linux-armv7l-2.7/src/externals/cexceptions/cexceptions.o build/temp.linux-armv7l-2.7/src/components/codcif/cif_options.o build/temp.linux-armv7l-2.7/src/components/codcif/common.o build/temp.linux-armv7l-2.7/src/components/codcif/ciftable.o build/temp.linux-armv7l-2.7/src/components/codcif/cif2_lexer.o build/temp.linux-armv7l-2.7/src/components/codcif/cifvalue.o build/temp.linux-armv7l-2.7/src/components/codcif/cifmessage.o build/temp.linux-armv7l-2.7/src/components/codcif/cif_grammar_flex.o build/temp.linux-armv7l-2.7/src/components/codcif/cif_lexer.o build/temp.linux-armv7l-2.7/src/components/codcif/cif.o build/temp.linux-armv7l-2.7/src/components/codcif/datablock.o build/temp.linux-armv7l-2.7/src/components/codcif/cif_compiler.o build/temp.linux-armv7l-2.7/src/components/codcif/ciflist.o build/temp.linux-armv7l-2.7/src/components/codcif/cif_grammar.tab.o build/temp.linux-armv7l-2.7/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
copying ./__init__.py -> build/lib.linux-armv7l-2.7/pycodcif
copying ./pycodcif.py -> build/lib.linux-armv7l-2.7/pycodcif
running install_lib
creating /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/usr
creating /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/usr/local
creating /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/usr/local/lib
creating /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/usr/local/lib/python2.7
creating /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/usr/local/lib/python2.7/dist-packages
creating /<<BUILDDIR>>/cod-tools-2.3+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-2.3+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-2.3+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-2.3+dfsg/debian/tmp/usr/usr/local/lib/python2.7/dist-packages/pycodcif
byte-compiling /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/usr/local/lib/python2.7/dist-packages/pycodcif/__init__.py to __init__.pyc
byte-compiling /<<BUILDDIR>>/cod-tools-2.3+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'
reading manifest template 'MANIFEST.in'
writing manifest file 'pycodcif.egg-info/SOURCES.txt'
Copying pycodcif.egg-info to /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/usr/local/lib/python2.7/dist-packages/pycodcif-2.3.egg-info
running install_scripts
make[5]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/components/pycodcif'
make[4]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/components'
make[4]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib'
make[5]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5'
make[6]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD'
make[7]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/SPGLib'
mkdir -p /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr//lib/arm-linux-gnueabihf/perl5/5.28/COD
mkdir -p /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr//lib/arm-linux-gnueabihf/perl5/5.28/auto/COD/SPGLib
cp lib/COD/SPGLib.pm /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr//lib/arm-linux-gnueabihf/perl5/5.28/COD
cp lib/auto/COD/SPGLib/SPGLib.so /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr//lib/arm-linux-gnueabihf/perl5/5.28/auto/COD/SPGLib
make[7]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/SPGLib'
make[7]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae'
make[8]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser'
make[9]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/AdHoc'
mkdir -p /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/share/perl5/COD/Formulae/Parser
cp lib/COD/Formulae/Parser/AdHoc.pm /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/share/perl5/COD/Formulae/Parser
make[9]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/AdHoc'
make[9]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/IUCr'
mkdir -p /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/share/perl5/COD/Formulae/Parser
cp lib/COD/Formulae/Parser/IUCr.pm /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/share/perl5/COD/Formulae/Parser
make[9]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/IUCr'
make[8]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser'
make[7]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae'
make[7]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF'
make[8]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser'
make[9]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Yapp'
mkdir -p /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/share/perl5/COD/CIF/Parser
cp lib/COD/CIF/Parser/Yapp.pm /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/share/perl5/COD/CIF/Parser
make[9]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Yapp'
make[9]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Bison'
mkdir -p /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr//lib/arm-linux-gnueabihf/perl5/5.28/COD/CIF/Parser
mkdir -p /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr//lib/arm-linux-gnueabihf/perl5/5.28/auto/COD/CIF/Parser/Bison
cp lib/COD/CIF/Parser/Bison.pm /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr//lib/arm-linux-gnueabihf/perl5/5.28/COD/CIF/Parser
cp lib/auto/COD/CIF/Parser/Bison/Bison.so /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr//lib/arm-linux-gnueabihf/perl5/5.28/auto/COD/CIF/Parser/Bison
make[9]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Bison'
make[8]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser'
make[7]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF'
make[6]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5/COD'
make[5]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib/perl5'
make[4]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src/lib'
make[3]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg/src'
test -d /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/bin || mkdir -p /<<BUILDDIR>>/cod-tools-2.3+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-2.3+dfsg/debian/tmp/usr/bin
for i in perl5/COD/Algebra.pm perl5/COD/Algebra/JacobiEigen.pm perl5/COD/Algebra/JacobiEigenSimple.pm perl5/COD/Algebra/Vector.pm perl5/COD/AtomBricks.pm perl5/COD/AtomNeighbours.pm perl5/COD/AtomProperties.pm perl5/COD/AuthorNames.pm perl5/COD/CIF/DDL/Ranges.pm perl5/COD/CIF/DDL/Validate.pm perl5/COD/CIF/Data.pm perl5/COD/CIF/Data/AtomList.pm perl5/COD/CIF/Data/CIF2COD.pm perl5/COD/CIF/Data/CODFlags.pm perl5/COD/CIF/Data/CODNumbers.pm perl5/COD/CIF/Data/CODPredepositionCheck.pm perl5/COD/CIF/Data/CellContents.pm perl5/COD/CIF/Data/Check.pm perl5/COD/CIF/Data/Classifier.pm perl5/COD/CIF/Data/Diff.pm perl5/COD/CIF/Data/EstimateZ.pm perl5/COD/CIF/Data/ExcludeFromStatistics.pm perl5/COD/CIF/Data/SymmetryGenerator.pm perl5/COD/CIF/JSON.pm perl5/COD/CIF/Parser.pm perl5/COD/CIF/Tags/AMCSD.pm perl5/COD/CIF/Tags/COD.pm perl5/COD/CIF/Tags/CanonicalNames.pm perl5/COD/CIF/Tags/DFT.pm perl5/COD/CIF/Tags/DictTags.pm perl5/COD/CIF/Tags/Excluded.pm perl5/COD/CIF/Tags/Manage.pm perl5/COD/CIF/Tags/Merge.pm perl5/COD/CIF/Tags/Print.pm perl5/COD/CIF/Tags/TCOD.pm perl5/COD/CIF/Unicode2CIF.pm perl5/COD/Cell.pm perl5/COD/Cell/Conventional/deWG91.pm perl5/COD/Cell/Delaunay/Delaunay.pm perl5/COD/Cell/Niggli/KG76.pm perl5/COD/CromerMann.pm perl5/COD/DateTime.pm perl5/COD/ErrorHandler.pm perl5/COD/Escape.pm perl5/COD/Formulae/Print.pm perl5/COD/Fractional.pm perl5/COD/MorganFingerprints.pm perl5/COD/Overlays/Kabsch.pm perl5/COD/Overlays/Kearsley.pm perl5/COD/Overlays/Theobald.pm perl5/COD/Precision.pm perl5/COD/RDF.pm perl5/COD/SOptions.pm perl5/COD/SUsage.pm perl5/COD/Serialise.pm perl5/COD/ShowStruct.pm perl5/COD/Spacegroups/Builder.pm perl5/COD/Spacegroups/Cosets.pm perl5/COD/Spacegroups/Lookup.pm perl5/COD/Spacegroups/Lookup/CCP4.pm perl5/COD/Spacegroups/Lookup/COD.pm perl5/COD/Spacegroups/Names.pm perl5/COD/Spacegroups/Symop/Algebra.pm perl5/COD/Spacegroups/Symop/Parse.pm perl5/COD/Spacegroups/Symop/SSGParse.pm perl5/COD/UserMessage.pm perl5/COD/ToolsVersion.pm; \
do \
test -d /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/share/$(dirname $i) \
|| mkdir -p /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/share/$(dirname $i); \
install --mode 644 src/lib/$i /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/tmp/usr/share/$i; \
done
make[2]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg'
dh_auto_install -O--buildsystem=pybuild -- --dir src/components/pycodcif
I: pybuild base:217: /usr/bin/python setup.py install --root /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/python-pycodcif
running install
running build
running build_py
running build_ext
copying ./pycodcif.py -> /<<BUILDDIR>>/cod-tools-2.3+dfsg/.pybuild/cpython2_2.7_pycodcif/build/pycodcif
running install_lib
creating /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/python-pycodcif
creating /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/python-pycodcif/usr
creating /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/python-pycodcif/usr/lib
creating /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/python-pycodcif/usr/lib/python2.7
creating /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/python-pycodcif/usr/lib/python2.7/dist-packages
creating /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/python-pycodcif/usr/lib/python2.7/dist-packages/pycodcif
copying /<<BUILDDIR>>/cod-tools-2.3+dfsg/.pybuild/cpython2_2.7_pycodcif/build/pycodcif/_pycodcif.so -> /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/python-pycodcif/usr/lib/python2.7/dist-packages/pycodcif
copying /<<BUILDDIR>>/cod-tools-2.3+dfsg/.pybuild/cpython2_2.7_pycodcif/build/pycodcif/__init__.py -> /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/python-pycodcif/usr/lib/python2.7/dist-packages/pycodcif
copying /<<BUILDDIR>>/cod-tools-2.3+dfsg/.pybuild/cpython2_2.7_pycodcif/build/pycodcif/pycodcif.py -> /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/python-pycodcif/usr/lib/python2.7/dist-packages/pycodcif
byte-compiling /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/python-pycodcif/usr/lib/python2.7/dist-packages/pycodcif/__init__.py to __init__.pyc
byte-compiling /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/python-pycodcif/usr/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'
reading manifest template 'MANIFEST.in'
writing manifest file 'pycodcif.egg-info/SOURCES.txt'
Copying pycodcif.egg-info to /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/python-pycodcif/usr/lib/python2.7/dist-packages/pycodcif-2.3.egg-info
Skipping SOURCES.txt
running install_scripts
I: pybuild base:217: /usr/bin/python3 setup.py install --root /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/python3-pycodcif
running install
running build
running build_py
running build_ext
copying ./pycodcif.py -> /<<BUILDDIR>>/cod-tools-2.3+dfsg/.pybuild/cpython3_3.7_pycodcif/build/pycodcif
running install_lib
creating /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/python3-pycodcif
creating /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/python3-pycodcif/usr
creating /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/python3-pycodcif/usr/lib
creating /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/python3-pycodcif/usr/lib/python3.7
creating /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/python3-pycodcif/usr/lib/python3.7/dist-packages
creating /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/python3-pycodcif/usr/lib/python3.7/dist-packages/pycodcif
copying /<<BUILDDIR>>/cod-tools-2.3+dfsg/.pybuild/cpython3_3.7_pycodcif/build/pycodcif/_pycodcif.cpython-37m-arm-linux-gnueabihf.so -> /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/python3-pycodcif/usr/lib/python3.7/dist-packages/pycodcif
copying /<<BUILDDIR>>/cod-tools-2.3+dfsg/.pybuild/cpython3_3.7_pycodcif/build/pycodcif/__init__.py -> /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/python3-pycodcif/usr/lib/python3.7/dist-packages/pycodcif
copying /<<BUILDDIR>>/cod-tools-2.3+dfsg/.pybuild/cpython3_3.7_pycodcif/build/pycodcif/pycodcif.py -> /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/python3-pycodcif/usr/lib/python3.7/dist-packages/pycodcif
byte-compiling /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/python3-pycodcif/usr/lib/python3.7/dist-packages/pycodcif/__init__.py to __init__.cpython-37.pyc
byte-compiling /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/python3-pycodcif/usr/lib/python3.7/dist-packages/pycodcif/pycodcif.py to pycodcif.cpython-37.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'
reading manifest template 'MANIFEST.in'
writing manifest file 'pycodcif.egg-info/SOURCES.txt'
Copying pycodcif.egg-info to /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/python3-pycodcif/usr/lib/python3.7/dist-packages/pycodcif-2.3.egg-info
Skipping SOURCES.txt
running install_scripts
make[1]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg'
debian/rules override_dh_install-arch
make[1]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+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-2.3+dfsg/debian/tmp/usr/bin/cif_parse_old_star doc/man/cif_parse_old_star.1
dh_install
rm -rf /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/cod-tools/usr/share/perl5/COD/CIF/Parser
rm /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/cod-tools/usr/share/perl5/COD/Precision.pm
rm /<<BUILDDIR>>/cod-tools-2.3+dfsg/debian/cod-tools/usr/share/perl5/COD/UserMessage.pm
make[1]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg'
dh_installdocs -a -O--no-parallel
debian/rules override_dh_installchangelogs
make[1]: Entering directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg'
dh_installchangelogs CHANGELOG
make[1]: Leaving directory '/<<BUILDDIR>>/cod-tools-2.3+dfsg'
dh_installman -a -O--no-parallel
dh_python2 -a -O--no-parallel
I: dh_python2 fs:329: renaming _pycodcif.so to _pycodcif.arm-linux-gnueabihf.so
dh_python3 -a -O--no-parallel
dh_installinit -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 fopenx used by debian/libcodcif2/usr/lib/arm-linux-gnueabihf/libcodcif.so.2.3 found in none of the libraries
dpkg-shlibdeps: warning: symbol mallocx used by debian/libcodcif2/usr/lib/arm-linux-gnueabihf/libcodcif.so.2.3 found in none of the libraries
dpkg-shlibdeps: warning: symbol cxprintf used by debian/libcodcif2/usr/lib/arm-linux-gnueabihf/libcodcif.so.2.3 found in none of the libraries
dpkg-shlibdeps: warning: symbol callocx used by debian/libcodcif2/usr/lib/arm-linux-gnueabihf/libcodcif.so.2.3 found in none of the libraries
dpkg-shlibdeps: warning: symbol pow used by debian/libcodcif2/usr/lib/arm-linux-gnueabihf/libcodcif.so.2.3 found in none of the libraries
dpkg-shlibdeps: warning: symbol fclosex used by debian/libcodcif2/usr/lib/arm-linux-gnueabihf/libcodcif.so.2.3 found in none of the libraries
dpkg-shlibdeps: warning: symbol cexception_message used by debian/libcodcif2/usr/lib/arm-linux-gnueabihf/libcodcif.so.2.3 found in none of the libraries
dpkg-shlibdeps: warning: symbol cexception_raise_at used by debian/libcodcif2/usr/lib/arm-linux-gnueabihf/libcodcif.so.2.3 found in none of the libraries
dpkg-shlibdeps: warning: symbol cexception_syserror used by debian/libcodcif2/usr/lib/arm-linux-gnueabihf/libcodcif.so.2.3 found in none of the libraries
dpkg-shlibdeps: warning: symbol progname used by debian/libcodcif2/usr/lib/arm-linux-gnueabihf/libcodcif.so.2.3 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 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 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 reallocx 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 'cod-tools' in '../cod-tools_2.3+dfsg-3_armhf.deb'.
dpkg-deb: building package 'libcod-cif-parser-bison-perl-dbgsym' in '../libcod-cif-parser-bison-perl-dbgsym_2.3+dfsg-3_armhf.deb'.
dpkg-deb: building package 'libgetoptions-dev' in '../libgetoptions-dev_2.3+dfsg-3_armhf.deb'.
dpkg-deb: building package 'libcexceptions0' in '../libcexceptions0_2.3+dfsg-3_armhf.deb'.
dpkg-deb: building package 'libcexceptions0-dbgsym' in '../libcexceptions0-dbgsym_2.3+dfsg-3_armhf.deb'.
dpkg-deb: building package 'libcodcif2' in '../libcodcif2_2.3+dfsg-3_armhf.deb'.
dpkg-deb: building package 'python-pycodcif' in '../python-pycodcif_2.3+dfsg-3_armhf.deb'.
dpkg-deb: building package 'libcexceptions-dev' in '../libcexceptions-dev_2.3+dfsg-3_armhf.deb'.
dpkg-deb: building package 'libgetoptions0' in '../libgetoptions0_2.3+dfsg-3_armhf.deb'.
dpkg-deb: building package 'libcodcif2-dbgsym' in '../libcodcif2-dbgsym_2.3+dfsg-3_armhf.deb'.
dpkg-deb: building package 'python-pycodcif-dbgsym' in '../python-pycodcif-dbgsym_2.3+dfsg-3_armhf.deb'.
dpkg-deb: building package 'libgetoptions0-dbgsym' in '../libgetoptions0-dbgsym_2.3+dfsg-3_armhf.deb'.
dpkg-deb: building package 'libcodcif-dev' in '../libcodcif-dev_2.3+dfsg-3_armhf.deb'.
dpkg-deb: building package 'python3-pycodcif' in '../python3-pycodcif_2.3+dfsg-3_armhf.deb'.
dpkg-deb: building package 'python3-pycodcif-dbgsym' in '../python3-pycodcif-dbgsym_2.3+dfsg-3_armhf.deb'.
dpkg-deb: building package 'libcod-cif-parser-bison-perl' in '../libcod-cif-parser-bison-perl_2.3+dfsg-3_armhf.deb'.
dpkg-deb: building package 'cod-tools-dbgsym' in '../cod-tools-dbgsym_2.3+dfsg-3_armhf.deb'.
dpkg-genbuildinfo --build=any
dpkg-genchanges --build=any -mRaspbian wandboard test autobuilder <root@raspbian.org> >../cod-tools_2.3+dfsg-3_armhf.changes
dpkg-genchanges: info: binary-only arch-specific upload (source code and arch-indep packages not included)
dpkg-source --after-build .
dpkg-buildpackage: info: binary-only upload (no source included)
--------------------------------------------------------------------------------
Build finished at 2019-02-05T12:55:29Z
Finished
--------
I: Built successfully
+------------------------------------------------------------------------------+
| Post Build Chroot |
+------------------------------------------------------------------------------+
+------------------------------------------------------------------------------+
| Changes |
+------------------------------------------------------------------------------+
cod-tools_2.3+dfsg-3_armhf.changes:
-----------------------------------
Format: 1.8
Date: Fri, 01 Feb 2019 10:04:07 -0500
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: 2.3+dfsg-3
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
Changes:
cod-tools (2.3+dfsg-3) unstable; urgency=medium
.
* Passing CFLAGS to Swig object compilation.
* Adding ${CPPFLAGS} to all C compiler calls to make function hardening
possible.
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+------------------------------------------------------------------------------+
| Package contents |
+------------------------------------------------------------------------------+
cod-tools-dbgsym_2.3+dfsg-3_armhf.deb
-------------------------------------
new Debian package, version 2.0.
size 395592 bytes: control archive=704 bytes.
514 bytes, 12 lines control
424 bytes, 4 lines md5sums
Package: cod-tools-dbgsym
Source: cod-tools
Version: 2.3+dfsg-3
Auto-Built-Package: debug-symbols
Architecture: armhf
Maintainer: Debian Science Maintainers <debian-science-maintainers@lists.alioth.debian.org>
Installed-Size: 488
Depends: cod-tools (= 2.3+dfsg-3)
Section: debug
Priority: optional
Description: debug symbols for cod-tools
Build-Ids: 57b947dce45792b5a7e3839b48352ff4f5711c6c 5d42170ff34523bf2d6d083f8db0aabdd493bc74 b6edb07b6aaa9c8ef01ffa16450a57f64dbdb1fd d9e1b25f0ae219ab3784ff7d45d3fecedf269a18
drwxr-xr-x root/root 0 2019-02-01 15:04 ./
drwxr-xr-x root/root 0 2019-02-01 15:04 ./usr/
drwxr-xr-x root/root 0 2019-02-01 15:04 ./usr/lib/
drwxr-xr-x root/root 0 2019-02-01 15:04 ./usr/lib/debug/
drwxr-xr-x root/root 0 2019-02-01 15:04 ./usr/lib/debug/.build-id/
drwxr-xr-x root/root 0 2019-02-01 15:04 ./usr/lib/debug/.build-id/57/
-rw-r--r-- root/root 143656 2019-02-01 15:04 ./usr/lib/debug/.build-id/57/b947dce45792b5a7e3839b48352ff4f5711c6c.debug
drwxr-xr-x root/root 0 2019-02-01 15:04 ./usr/lib/debug/.build-id/5d/
-rw-r--r-- root/root 141412 2019-02-01 15:04 ./usr/lib/debug/.build-id/5d/42170ff34523bf2d6d083f8db0aabdd493bc74.debug
drwxr-xr-x root/root 0 2019-02-01 15:04 ./usr/lib/debug/.build-id/b6/
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drwxr-xr-x root/root 0 2019-02-01 15:04 ./usr/lib/debug/.build-id/d9/
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drwxr-xr-x root/root 0 2019-02-01 15:04 ./usr/share/
drwxr-xr-x root/root 0 2019-02-01 15:04 ./usr/share/doc/
lrwxrwxrwx root/root 0 2019-02-01 15:04 ./usr/share/doc/cod-tools-dbgsym -> cod-tools
cod-tools_2.3+dfsg-3_armhf.deb
------------------------------
new Debian package, version 2.0.
size 407168 bytes: control archive=6752 bytes.
969 bytes, 13 lines control
15958 bytes, 235 lines md5sums
Package: cod-tools
Version: 2.3+dfsg-3
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, libparse-yapp-perl, libwww-curl-perl, libxml-simple-perl, openbabel, perl (>= 5.28.1-3), perlapi-5.28.1, libc6 (>= 2.11), libsymspg1 (>= 1.12.1)
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.
drwxr-xr-x root/root 0 2019-02-01 15:04 ./
drwxr-xr-x root/root 0 2019-02-01 15:04 ./usr/
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libcexceptions-dev_2.3+dfsg-3_armhf.deb
---------------------------------------
new Debian package, version 2.0.
size 22264 bytes: control archive=936 bytes.
621 bytes, 17 lines control
606 bytes, 9 lines md5sums
Package: libcexceptions-dev
Source: cod-tools
Version: 2.3+dfsg-3
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Maintainer: Debian Science Maintainers <debian-science-maintainers@lists.alioth.debian.org>
Installed-Size: 48
Depends: libcexceptions0 (= 2.3+dfsg-3)
Section: libdevel
Priority: optional
Multi-Arch: same
Homepage: http://wiki.crystallography.net/cod-tools
Description: C exception handling library (development files)
Wrappers for C functions, allowing usage of try ... catch ... blocks
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.
This package contains static library and header files.
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-rw-r--r-- root/root 2151 2019-02-01 06:50 ./usr/share/doc/libcexceptions-dev/copyright
libcexceptions0-dbgsym_2.3+dfsg-3_armhf.deb
-------------------------------------------
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425 bytes, 13 lines control
106 bytes, 1 lines md5sums
Package: libcexceptions0-dbgsym
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lrwxrwxrwx root/root 0 2019-02-01 15:04 ./usr/share/doc/libcexceptions0-dbgsym -> libcexceptions0
libcexceptions0_2.3+dfsg-3_armhf.deb
------------------------------------
new Debian package, version 2.0.
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520 bytes, 15 lines control
470 bytes, 6 lines md5sums
33 bytes, 1 lines shlibs
63 bytes, 2 lines triggers
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Installed-Size: 43
Depends: libc6 (>= 2.11)
Section: libs
Priority: optional
Multi-Arch: same
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 2019-02-01 15:04 ./
drwxr-xr-x root/root 0 2019-02-01 15:04 ./usr/
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libcod-cif-parser-bison-perl-dbgsym_2.3+dfsg-3_armhf.deb
--------------------------------------------------------
new Debian package, version 2.0.
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448 bytes, 12 lines control
106 bytes, 1 lines md5sums
Package: libcod-cif-parser-bison-perl-dbgsym
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Maintainer: Debian Science Maintainers <debian-science-maintainers@lists.alioth.debian.org>
Installed-Size: 197
Depends: libcod-cif-parser-bison-perl (= 2.3+dfsg-3)
Section: debug
Priority: optional
Description: debug symbols for libcod-cif-parser-bison-perl
Build-Ids: bf1c6132d6942722e86035797359c1502704fc54
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drwxr-xr-x root/root 0 2019-02-01 15:04 ./usr/lib/debug/.build-id/
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lrwxrwxrwx root/root 0 2019-02-01 15:04 ./usr/share/doc/libcod-cif-parser-bison-perl-dbgsym -> libcod-cif-parser-bison-perl
libcod-cif-parser-bison-perl_2.3+dfsg-3_armhf.deb
-------------------------------------------------
new Debian package, version 2.0.
size 63884 bytes: control archive=920 bytes.
764 bytes, 16 lines control
479 bytes, 5 lines md5sums
Package: libcod-cif-parser-bison-perl
Source: cod-tools
Version: 2.3+dfsg-3
Architecture: armhf
Maintainer: Debian Science Maintainers <debian-science-maintainers@lists.alioth.debian.org>
Installed-Size: 160
Depends: libc6 (>= 2.11), perl (>= 5.28.1-3), perlapi-5.28.1, 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.
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drwxr-xr-x root/root 0 2019-02-01 15:04 ./usr/lib/arm-linux-gnueabihf/perl5/5.28/auto/COD/CIF/
drwxr-xr-x root/root 0 2019-02-01 15:04 ./usr/lib/arm-linux-gnueabihf/perl5/5.28/auto/COD/CIF/Parser/
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-rw-r--r-- root/root 13875 2019-01-29 07:12 ./usr/share/doc/libcod-cif-parser-bison-perl/changelog.gz
-rw-r--r-- root/root 2151 2019-02-01 06:50 ./usr/share/doc/libcod-cif-parser-bison-perl/copyright
libcodcif-dev_2.3+dfsg-3_armhf.deb
----------------------------------
new Debian package, version 2.0.
size 64948 bytes: control archive=1296 bytes.
674 bytes, 17 lines control
1361 bytes, 22 lines md5sums
Package: libcodcif-dev
Source: cod-tools
Version: 2.3+dfsg-3
Architecture: armhf
Maintainer: Debian Science Maintainers <debian-science-maintainers@lists.alioth.debian.org>
Installed-Size: 221
Depends: libcodcif2 (= 2.3+dfsg-3)
Section: libdevel
Priority: optional
Multi-Arch: same
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.
.
This package contains static library and header files.
drwxr-xr-x root/root 0 2019-02-01 15:04 ./
drwxr-xr-x root/root 0 2019-02-01 15:04 ./usr/
drwxr-xr-x root/root 0 2019-02-01 15:04 ./usr/include/
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-rw-r--r-- root/root 3172 2019-02-01 15:04 ./usr/include/cif2_grammar.tab.h
-rw-r--r-- root/root 674 2019-02-01 15:04 ./usr/include/cif2_grammar_y.h
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-rw-r--r-- root/root 996 2019-02-01 15:04 ./usr/include/ciflist.h
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-rw-r--r-- root/root 845 2019-02-01 15:04 ./usr/include/ciftable.h
-rw-r--r-- root/root 1343 2019-02-01 15:04 ./usr/include/cifvalue.h
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-rw-r--r-- root/root 424 2019-02-01 15:04 ./usr/include/version.h
-rw-r--r-- root/root 280 2019-02-01 15:04 ./usr/include/yy.h
drwxr-xr-x root/root 0 2019-02-01 15:04 ./usr/lib/
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-rw-r--r-- root/root 156650 2019-02-01 15:04 ./usr/lib/arm-linux-gnueabihf/libcodcif.a
lrwxrwxrwx root/root 0 2019-02-01 15:04 ./usr/lib/arm-linux-gnueabihf/libcodcif.so -> libcodcif.so.2
drwxr-xr-x root/root 0 2019-02-01 15:04 ./usr/share/
drwxr-xr-x root/root 0 2019-02-01 15:04 ./usr/share/doc/
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-rw-r--r-- root/root 2144 2019-02-01 15:04 ./usr/share/doc/libcodcif-dev/changelog.Debian.gz
-rw-r--r-- root/root 13875 2019-01-29 07:12 ./usr/share/doc/libcodcif-dev/changelog.gz
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libcodcif2-dbgsym_2.3+dfsg-3_armhf.deb
--------------------------------------
new Debian package, version 2.0.
size 105120 bytes: control archive=560 bytes.
411 bytes, 13 lines control
106 bytes, 1 lines md5sums
Package: libcodcif2-dbgsym
Source: cod-tools
Version: 2.3+dfsg-3
Auto-Built-Package: debug-symbols
Architecture: armhf
Maintainer: Debian Science Maintainers <debian-science-maintainers@lists.alioth.debian.org>
Installed-Size: 132
Depends: libcodcif2 (= 2.3+dfsg-3)
Section: debug
Priority: optional
Multi-Arch: same
Description: debug symbols for libcodcif2
Build-Ids: 3c894f81f1c87fffd287403b4e9797465405cab3
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drwxr-xr-x root/root 0 2019-02-01 15:04 ./usr/lib/
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drwxr-xr-x root/root 0 2019-02-01 15:04 ./usr/lib/debug/.build-id/
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drwxr-xr-x root/root 0 2019-02-01 15:04 ./usr/share/
drwxr-xr-x root/root 0 2019-02-01 15:04 ./usr/share/doc/
lrwxrwxrwx root/root 0 2019-02-01 15:04 ./usr/share/doc/libcodcif2-dbgsym -> libcodcif2
libcodcif2_2.3+dfsg-3_armhf.deb
-------------------------------
new Debian package, version 2.0.
size 55084 bytes: control archive=884 bytes.
616 bytes, 15 lines control
299 bytes, 4 lines md5sums
23 bytes, 1 lines shlibs
63 bytes, 2 lines triggers
Package: libcodcif2
Source: cod-tools
Version: 2.3+dfsg-3
Architecture: armhf
Maintainer: Debian Science Maintainers <debian-science-maintainers@lists.alioth.debian.org>
Installed-Size: 125
Depends: libc6 (>= 2.4), libcexceptions0 (>= 2.3+dfsg-3)
Section: libs
Priority: optional
Multi-Arch: same
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 2019-02-01 15:04 ./
drwxr-xr-x root/root 0 2019-02-01 15:04 ./usr/
drwxr-xr-x root/root 0 2019-02-01 15:04 ./usr/lib/
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lrwxrwxrwx root/root 0 2019-02-01 15:04 ./usr/lib/arm-linux-gnueabihf/libcodcif.so.2 -> libcodcif.so.2.3
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drwxr-xr-x root/root 0 2019-02-01 15:04 ./usr/share/
drwxr-xr-x root/root 0 2019-02-01 15:04 ./usr/share/doc/
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-rw-r--r-- root/root 2144 2019-02-01 15:04 ./usr/share/doc/libcodcif2/changelog.Debian.gz
-rw-r--r-- root/root 13875 2019-01-29 07:12 ./usr/share/doc/libcodcif2/changelog.gz
-rw-r--r-- root/root 2151 2019-02-01 06:50 ./usr/share/doc/libcodcif2/copyright
libgetoptions-dev_2.3+dfsg-3_armhf.deb
--------------------------------------
new Debian package, version 2.0.
size 21956 bytes: control archive=852 bytes.
710 bytes, 18 lines control
378 bytes, 5 lines md5sums
Package: libgetoptions-dev
Source: cod-tools
Version: 2.3+dfsg-3
Architecture: armhf
Maintainer: Debian Science Maintainers <debian-science-maintainers@lists.alioth.debian.org>
Installed-Size: 40
Depends: libgetoptions0 (= 2.3+dfsg-3)
Section: libdevel
Priority: optional
Multi-Arch: same
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 2019-02-01 15:04 ./
drwxr-xr-x root/root 0 2019-02-01 15:04 ./usr/
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lrwxrwxrwx root/root 0 2019-02-01 15:04 ./usr/lib/arm-linux-gnueabihf/libgetoptions.so -> libgetoptions.so.0
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drwxr-xr-x root/root 0 2019-02-01 15:04 ./usr/share/doc/
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-rw-r--r-- root/root 13875 2019-01-29 07:12 ./usr/share/doc/libgetoptions-dev/changelog.gz
-rw-r--r-- root/root 2151 2019-02-01 06:50 ./usr/share/doc/libgetoptions-dev/copyright
libgetoptions0-dbgsym_2.3+dfsg-3_armhf.deb
------------------------------------------
new Debian package, version 2.0.
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-----------------------------------
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Section: libs
Priority: optional
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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.
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python-pycodcif-dbgsym_2.3+dfsg-3_armhf.deb
-------------------------------------------
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python-pycodcif_2.3+dfsg-3_armhf.deb
------------------------------------
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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.
.
This package installs the library for Python 2.
Python-Version: 2.7
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python3-pycodcif-dbgsym_2.3+dfsg-3_armhf.deb
--------------------------------------------
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lrwxrwxrwx root/root 0 2019-02-01 15:04 ./usr/share/doc/python3-pycodcif-dbgsym -> python3-pycodcif
python3-pycodcif_2.3+dfsg-3_armhf.deb
-------------------------------------
new Debian package, version 2.0.
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828 bytes, 9 lines md5sums
258 bytes, 12 lines * postinst #!/bin/sh
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Provides: python3.7-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
dictionary.
.
This package installs the library for Python 3.
Python-Version: 3.7
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+------------------------------------------------------------------------------+
| Post Build |
+------------------------------------------------------------------------------+
+------------------------------------------------------------------------------+
| Cleanup |
+------------------------------------------------------------------------------+
Purging /<<BUILDDIR>>
Not cleaning session: cloned chroot in use
+------------------------------------------------------------------------------+
| Summary |
+------------------------------------------------------------------------------+
Build Architecture: armhf
Build-Space: 147064
Build-Time: 11224
Distribution: buster-staging
Host Architecture: armhf
Install-Time: 1142
Job: cod-tools_2.3+dfsg-3
Machine Architecture: armhf
Package: cod-tools
Package-Time: 12468
Source-Version: 2.3+dfsg-3
Space: 147064
Status: successful
Version: 2.3+dfsg-3
--------------------------------------------------------------------------------
Finished at 2019-02-05T12:55:29Z
Build needed 03:27:48, 147064k disc space