ergo →
3.2.1-1 →
armhf → 2013-06-22 21:11:40
sbuild (Debian sbuild) 0.63.2 (18 Aug 2012) on testbuildd.raspbian.org
╔══════════════════════════════════════════════════════════════════════════════╗
║ ergo 3.2.1-1 (armhf) 22 Jun 2013 19:27 ║
╚══════════════════════════════════════════════════════════════════════════════╝
Package: ergo
Version: 3.2.1-1
Source Version: 3.2.1-1
Distribution: jessie-staging
Machine Architecture: armhf
Host Architecture: armhf
Build Architecture: armhf
I: NOTICE: Log filtering will replace 'build/ergo-WUFpVI/ergo-3.2.1' with '«PKGBUILDDIR»'
I: NOTICE: Log filtering will replace 'build/ergo-WUFpVI' with '«BUILDDIR»'
I: NOTICE: Log filtering will replace 'var/lib/schroot/mount/jessie-staging-armhf-sbuild-648d3173-6680-42dc-9441-442a5aa2112a' with '«CHROOT»'
┌──────────────────────────────────────────────────────────────────────────────┐
│ Update chroot │
└──────────────────────────────────────────────────────────────────────────────┘
Get:1 http://172.17.0.1 jessie-staging Release.gpg [490 B]
Get:2 http://172.17.0.1 jessie-staging Release [10.8 kB]
Get:3 http://172.17.0.1 jessie-staging/main Sources [6639 kB]
Get:4 http://172.17.0.1 jessie-staging/main armhf Packages [7662 kB]
Ign http://172.17.0.1 jessie-staging/main Translation-en
Fetched 14.3 MB in 37s (381 kB/s)
Reading package lists...
┌──────────────────────────────────────────────────────────────────────────────┐
│ Fetch source files │
└──────────────────────────────────────────────────────────────────────────────┘
Check APT
─────────
Checking available source versions...
Download source files with APT
──────────────────────────────
Reading package lists...
Building dependency tree...
Reading state information...
NOTICE: 'ergo' packaging is maintained in the 'Svn' version control system at:
svn://svn.debian.org/svn/debichem/unstable/ergo/
Need to get 3014 kB of source archives.
Get:1 http://172.17.0.1/private/ jessie-staging/main ergo 3.2.1-1 (dsc) [1283 B]
Get:2 http://172.17.0.1/private/ jessie-staging/main ergo 3.2.1-1 (tar) [3010 kB]
Get:3 http://172.17.0.1/private/ jessie-staging/main ergo 3.2.1-1 (diff) [2827 B]
Fetched 3014 kB in 2s (1116 kB/s)
Download complete and in download only mode
Check arch
──────────
Merged Build-Depends: build-essential, fakeroot
Filtered Build-Depends: build-essential, fakeroot
dpkg-deb: building package `sbuild-build-depends-core-dummy' in `/«BUILDDIR»/resolver-KhHUcE/apt_archive/sbuild-build-depends-core-dummy.deb'.
OK
Reading package lists...
┌──────────────────────────────────────────────────────────────────────────────┐
│ Install core build dependencies (apt-based resolver) │
└──────────────────────────────────────────────────────────────────────────────┘
Installing build dependencies
Reading package lists...
Building dependency tree...
Reading state information...
The following NEW packages will be installed:
sbuild-build-depends-core-dummy
debconf: delaying package configuration, since apt-utils is not installed
0 upgraded, 1 newly installed, 0 to remove and 0 not upgraded.
Need to get 0 B/706 B of archives.
After this operation, 0 B of additional disk space will be used.
Selecting previously unselected package sbuild-build-depends-core-dummy.
(Reading database ... 11338 files and directories currently installed.)
Unpacking sbuild-build-depends-core-dummy (from .../sbuild-build-depends-core-dummy.deb) ...
Setting up sbuild-build-depends-core-dummy (0.invalid.0) ...
Merged Build-Depends: base-files, base-passwd, bash, bsdutils, coreutils, dash, debianutils, diffutils, dpkg, e2fsprogs, findutils, grep, gzip, hostname, libc-bin, login, mount, ncurses-base, ncurses-bin, perl-base, sed, sysvinit, sysvinit-utils, tar, util-linux, libc6-dev | libc-dev, gcc (>= 4:4.4.3), g++ (>= 4:4.4.3), make, dpkg-dev (>= 1.13.5), debhelper (>= 7.0.50~), autotools-dev, bc, libblas-dev, liblapack-dev
Filtered Build-Depends: base-files, base-passwd, bash, bsdutils, coreutils, dash, debianutils, diffutils, dpkg, e2fsprogs, findutils, grep, gzip, hostname, libc-bin, login, mount, ncurses-base, ncurses-bin, perl-base, sed, sysvinit, sysvinit-utils, tar, util-linux, libc6-dev, gcc (>= 4:4.4.3), g++ (>= 4:4.4.3), make, dpkg-dev (>= 1.13.5), debhelper (>= 7.0.50~), autotools-dev, bc, libblas-dev, liblapack-dev
dpkg-deb: building package `sbuild-build-depends-ergo-dummy' in `/«BUILDDIR»/resolver-fgAwN_/apt_archive/sbuild-build-depends-ergo-dummy.deb'.
OK
Reading package lists...
┌──────────────────────────────────────────────────────────────────────────────┐
│ Install ergo build dependencies (apt-based resolver) │
└──────────────────────────────────────────────────────────────────────────────┘
Installing build dependencies
Reading package lists...
Building dependency tree...
Reading state information...
The following extra packages will be installed:
autotools-dev bc bsdmainutils debhelper file gettext gettext-base groff-base
html2text install-info intltool-debian libasprintf0c2 libblas-dev libblas3
libcroco3 libffi6 libgfortran3 libglib2.0-0 liblapack-dev liblapack3
libmagic1 libpipeline1 libunistring0 libxml2 man-db po-debconf
Suggested packages:
wamerican wordlist whois vacation dh-make gettext-doc groff less www-browser
libmail-box-perl
Recommended packages:
curl wget lynx-cur autopoint libasprintf-dev libgettextpo-dev
libglib2.0-data shared-mime-info xml-core libmail-sendmail-perl
The following NEW packages will be installed:
autotools-dev bc bsdmainutils debhelper file gettext gettext-base groff-base
html2text install-info intltool-debian libasprintf0c2 libblas-dev libblas3
libcroco3 libffi6 libgfortran3 libglib2.0-0 liblapack-dev liblapack3
libmagic1 libpipeline1 libunistring0 libxml2 man-db po-debconf
sbuild-build-depends-ergo-dummy
0 upgraded, 27 newly installed, 0 to remove and 0 not upgraded.
Need to get 16.9 MB/16.9 MB of archives.
After this operation, 40.8 MB of additional disk space will be used.
Get:1 http://172.17.0.1/private/ jessie-staging/main libpipeline1 armhf 1.2.3-1 [35.8 kB]
Get:2 http://172.17.0.1/private/ jessie-staging/main groff-base armhf 1.22.2-3 [666 kB]
Get:3 http://172.17.0.1/private/ jessie-staging/main bsdmainutils armhf 9.0.5 [206 kB]
Get:4 http://172.17.0.1/private/ jessie-staging/main man-db armhf 2.6.3-7 [867 kB]
Get:5 http://172.17.0.1/private/ jessie-staging/main libasprintf0c2 armhf 0.18.2.1-1 [28.4 kB]
Get:6 http://172.17.0.1/private/ jessie-staging/main libmagic1 armhf 1:5.14-2 [213 kB]
Get:7 http://172.17.0.1/private/ jessie-staging/main libxml2 armhf 2.8.0+dfsg1-7+nmu1 [822 kB]
Get:8 http://172.17.0.1/private/ jessie-staging/main libffi6 armhf 3.0.13-4 [19.8 kB]
Get:9 http://172.17.0.1/private/ jessie-staging/main libglib2.0-0 armhf 2.36.1-2build1 [1895 kB]
Get:10 http://172.17.0.1/private/ jessie-staging/main libcroco3 armhf 0.6.8-2 [119 kB]
Get:11 http://172.17.0.1/private/ jessie-staging/main libgfortran3 armhf 4.8.0-7+rpi1 [229 kB]
Get:12 http://172.17.0.1/private/ jessie-staging/main libunistring0 armhf 0.9.3-5 [408 kB]
Get:13 http://172.17.0.1/private/ jessie-staging/main install-info armhf 5.1.dfsg.1-3 [189 kB]
Get:14 http://172.17.0.1/private/ jessie-staging/main bc armhf 1.06.95-8 [106 kB]
Get:15 http://172.17.0.1/private/ jessie-staging/main file armhf 1:5.14-2 [53.8 kB]
Get:16 http://172.17.0.1/private/ jessie-staging/main gettext-base armhf 0.18.2.1-1 [131 kB]
Get:17 http://172.17.0.1/private/ jessie-staging/main autotools-dev all 20130515.1 [73.0 kB]
Get:18 http://172.17.0.1/private/ jessie-staging/main html2text armhf 1.3.2a-16 [97.6 kB]
Get:19 http://172.17.0.1/private/ jessie-staging/main gettext armhf 0.18.2.1-1 [1932 kB]
Get:20 http://172.17.0.1/private/ jessie-staging/main intltool-debian all 0.35.0+20060710.1 [29.8 kB]
Get:21 http://172.17.0.1/private/ jessie-staging/main po-debconf all 1.0.16+nmu2 [223 kB]
Get:22 http://172.17.0.1/private/ jessie-staging/main debhelper all 9.20120909 [705 kB]
Get:23 http://172.17.0.1/private/ jessie-staging/main libblas3 armhf 1.2.20110419-5 [201 kB]
Get:24 http://172.17.0.1/private/ jessie-staging/main libblas-dev armhf 1.2.20110419-5 [206 kB]
Get:25 http://172.17.0.1/private/ jessie-staging/main liblapack3 armhf 3.4.2+dfsg-1 [3584 kB]
Get:26 http://172.17.0.1/private/ jessie-staging/main liblapack-dev armhf 3.4.2+dfsg-1 [3890 kB]
debconf: delaying package configuration, since apt-utils is not installed
Fetched 16.9 MB in 18s (914 kB/s)
Selecting previously unselected package libpipeline1:armhf.
(Reading database ... 11338 files and directories currently installed.)
Unpacking libpipeline1:armhf (from .../libpipeline1_1.2.3-1_armhf.deb) ...
Selecting previously unselected package groff-base.
Unpacking groff-base (from .../groff-base_1.22.2-3_armhf.deb) ...
Selecting previously unselected package bsdmainutils.
Unpacking bsdmainutils (from .../bsdmainutils_9.0.5_armhf.deb) ...
Selecting previously unselected package man-db.
Unpacking man-db (from .../man-db_2.6.3-7_armhf.deb) ...
Selecting previously unselected package libasprintf0c2:armhf.
Unpacking libasprintf0c2:armhf (from .../libasprintf0c2_0.18.2.1-1_armhf.deb) ...
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Unpacking libmagic1:armhf (from .../libmagic1_1%3a5.14-2_armhf.deb) ...
Selecting previously unselected package libxml2:armhf.
Unpacking libxml2:armhf (from .../libxml2_2.8.0+dfsg1-7+nmu1_armhf.deb) ...
Selecting previously unselected package libffi6:armhf.
Unpacking libffi6:armhf (from .../libffi6_3.0.13-4_armhf.deb) ...
Selecting previously unselected package libglib2.0-0:armhf.
Unpacking libglib2.0-0:armhf (from .../libglib2.0-0_2.36.1-2build1_armhf.deb) ...
Selecting previously unselected package libcroco3:armhf.
Unpacking libcroco3:armhf (from .../libcroco3_0.6.8-2_armhf.deb) ...
Selecting previously unselected package libgfortran3:armhf.
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Unpacking libunistring0:armhf (from .../libunistring0_0.9.3-5_armhf.deb) ...
Selecting previously unselected package install-info.
Unpacking install-info (from .../install-info_5.1.dfsg.1-3_armhf.deb) ...
Setting up install-info (5.1.dfsg.1-3) ...
Selecting previously unselected package bc.
(Reading database ... 11957 files and directories currently installed.)
Unpacking bc (from .../bc_1.06.95-8_armhf.deb) ...
Selecting previously unselected package file.
Unpacking file (from .../file_1%3a5.14-2_armhf.deb) ...
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Unpacking gettext-base (from .../gettext-base_0.18.2.1-1_armhf.deb) ...
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Selecting previously unselected package html2text.
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Selecting previously unselected package intltool-debian.
Unpacking intltool-debian (from .../intltool-debian_0.35.0+20060710.1_all.deb) ...
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Unpacking debhelper (from .../debhelper_9.20120909_all.deb) ...
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Unpacking libblas-dev (from .../libblas-dev_1.2.20110419-5_armhf.deb) ...
Selecting previously unselected package liblapack3.
Unpacking liblapack3 (from .../liblapack3_3.4.2+dfsg-1_armhf.deb) ...
Selecting previously unselected package liblapack-dev.
Unpacking liblapack-dev (from .../liblapack-dev_3.4.2+dfsg-1_armhf.deb) ...
Selecting previously unselected package sbuild-build-depends-ergo-dummy.
Unpacking sbuild-build-depends-ergo-dummy (from .../sbuild-build-depends-ergo-dummy.deb) ...
Processing triggers for install-info ...
Setting up libpipeline1:armhf (1.2.3-1) ...
Setting up groff-base (1.22.2-3) ...
Setting up bsdmainutils (9.0.5) ...
update-alternatives: using /usr/bin/bsd-write to provide /usr/bin/write (write) in auto mode
update-alternatives: using /usr/bin/bsd-from to provide /usr/bin/from (from) in auto mode
Setting up man-db (2.6.3-7) ...
Not building database; man-db/auto-update is not 'true'.
Setting up libasprintf0c2:armhf (0.18.2.1-1) ...
Setting up libmagic1:armhf (1:5.14-2) ...
Setting up libxml2:armhf (2.8.0+dfsg1-7+nmu1) ...
Setting up libffi6:armhf (3.0.13-4) ...
Setting up libglib2.0-0:armhf (2.36.1-2build1) ...
No schema files found: doing nothing.
Setting up libcroco3:armhf (0.6.8-2) ...
Setting up libgfortran3:armhf (4.8.0-7+rpi1) ...
Setting up libunistring0:armhf (0.9.3-5) ...
Setting up bc (1.06.95-8) ...
Setting up file (1:5.14-2) ...
Setting up gettext-base (0.18.2.1-1) ...
Setting up autotools-dev (20130515.1) ...
Setting up html2text (1.3.2a-16) ...
Setting up gettext (0.18.2.1-1) ...
Setting up intltool-debian (0.35.0+20060710.1) ...
Setting up po-debconf (1.0.16+nmu2) ...
Setting up debhelper (9.20120909) ...
Setting up libblas3 (1.2.20110419-5) ...
update-alternatives: using /usr/lib/libblas/libblas.so.3 to provide /usr/lib/libblas.so.3 (libblas.so.3) in auto mode
Setting up libblas-dev (1.2.20110419-5) ...
update-alternatives: using /usr/lib/libblas/libblas.so to provide /usr/lib/libblas.so (libblas.so) in auto mode
Setting up liblapack3 (3.4.2+dfsg-1) ...
update-alternatives: using /usr/lib/lapack/liblapack.so.3 to provide /usr/lib/liblapack.so.3 (liblapack.so.3) in auto mode
Setting up liblapack-dev (3.4.2+dfsg-1) ...
update-alternatives: using /usr/lib/lapack/liblapack.so to provide /usr/lib/liblapack.so (liblapack.so) in auto mode
Setting up sbuild-build-depends-ergo-dummy (0.invalid.0) ...
Processing triggers for libc-bin ...
ldconfig deferred processing now taking place
┌──────────────────────────────────────────────────────────────────────────────┐
│ Build environment │
└──────────────────────────────────────────────────────────────────────────────┘
Kernel: Linux 3.9.4-imx4 armhf (armv7l)
Toolchain package versions: binutils_2.22-8 dpkg-dev_1.16.10 g++-4.6_4.6.4-2+rpi1 gcc-4.6_4.6.4-2+rpi1 libc6-dev_2.17-3 libstdc++6_4.8.0-7+rpi1 libstdc++6-4.6-dev_4.6.4-2+rpi1 linux-libc-dev_3.2.41-2+rpi1
Package versions: apt_0.9.7.8+rpi1 autotools-dev_20130515.1 base-files_7.2 base-passwd_3.5.26 bash_4.2+dfsg-1 bc_1.06.95-8 binutils_2.22-8 bsdmainutils_9.0.5 bsdutils_1:2.20.1-5.4 build-essential_11.6 bzip2_1.0.6-4 coreutils_8.13-3.5 cpio_2.11+dfsg-1 cpp_4:4.6.3-8 cpp-4.6_4.6.4-2+rpi1 dash_0.5.7-3 debconf_1.5.50 debconf-i18n_1.5.50 debfoster_2.7-1.2 debhelper_9.20120909 debianutils_4.3.4 diffutils_1:3.2-8 dpkg_1.16.10 dpkg-dev_1.16.10 e2fslibs_1.42.5-1.1 e2fsprogs_1.42.5-1.1 fakeroot_1.18.4-2 file_1:5.14-2 findutils_4.4.2-5 g++_4:4.6.3-8 g++-4.6_4.6.4-2+rpi1 gcc_4:4.6.3-8 gcc-4.5-base_4.5.3-12+rpi1 gcc-4.6_4.6.4-2+rpi1 gcc-4.6-base_4.6.4-2+rpi1 gcc-4.7-base_4.7.3-4+rpi1 gcc-4.8-base_4.8.0-7+rpi1 gettext_0.18.2.1-1 gettext-base_0.18.2.1-1 gnupg_1.4.12-7 gpgv_1.4.12-7 grep_2.14-2 groff-base_1.22.2-3 gzip_1.5-1.1 hostname_3.12 html2text_1.3.2a-16 initramfs-tools_0.112 initscripts_2.88dsf-41 insserv_1.14.0-5 install-info_5.1.dfsg.1-3 intltool-debian_0.35.0+20060710.1 klibc-utils_2.0.1-3.1+rpi1 kmod_9-3 libacl1_2.2.52-1 libapt-pkg4.12_0.9.7.8+rpi1 libasprintf0c2_0.18.2.1-1 libattr1_1:2.4.47-1 libblas-dev_1.2.20110419-5 libblas3_1.2.20110419-5 libblkid1_2.20.1-5.4 libbz2-1.0_1.0.6-4 libc-bin_2.17-3 libc-dev-bin_2.17-3 libc6_2.17-3 libc6-dev_2.17-3 libcap2_1:2.22-1.2 libclass-isa-perl_0.36-5 libcomerr2_1.42.5-1.1 libcroco3_0.6.8-2 libdb5.1_5.1.29-5 libdbus-1-3_1.6.10-1 libdpkg-perl_1.16.10 libffi6_3.0.13-4 libgc1c2_1:7.1-9.1 libgcc1_1:4.8.0-7+rpi1 libgdbm3_1.8.3-12 libgfortran3_4.8.0-7+rpi1 libglib2.0-0_2.36.1-2build1 libgmp10_2:5.1.2+dfsg-1 libgomp1_4.8.0-7+rpi1 libklibc_2.0.1-3.1+rpi1 libkmod2_9-3 liblapack-dev_3.4.2+dfsg-1 liblapack3_3.4.2+dfsg-1 liblocale-gettext-perl_1.05-7 liblzma5_5.1.1alpha+20120614-2 libmagic1_1:5.14-2 libmount1_2.20.1-5.4 libmpc2_0.9-4 libmpc3_1.0.1-1 libmpfr4_3.1.1-1 libncurses5_5.9+20130504-1 libncursesw5_5.9+20130504-1 libpam-modules_1.1.3-9 libpam-modules-bin_1.1.3-9 libpam-runtime_1.1.3-9 libpam0g_1.1.3-9 libpcre3_1:8.31-2 libpipeline1_1.2.3-1 libprocps0_1:3.3.4-2 libreadline6_6.2+dfsg-0.1 libselinux1_2.1.13-2 libsemanage-common_2.1.10-2 libsemanage1_2.1.10-2 libsepol1_2.1.9-2 libslang2_2.2.4-15 libss2_1.42.5-1.1 libstdc++6_4.8.0-7+rpi1 libstdc++6-4.6-dev_4.6.4-2+rpi1 libswitch-perl_2.16-2 libtext-charwidth-perl_0.04-7 libtext-iconv-perl_1.7-5 libtext-wrapi18n-perl_0.06-7 libtimedate-perl_1.2000-1 libtinfo5_5.9+20130504-1 libudev0_175-7.2 libunistring0_0.9.3-5 libusb-0.1-4_2:0.1.12-23.2 libustr-1.0-1_1.0.4-3 libuuid1_2.20.1-5.4 libxml2_2.8.0+dfsg1-7+nmu1 linux-libc-dev_3.2.41-2+rpi1 login_1:4.1.5.1-1 lsb-base_4.1+Debian8+rpi1 make_3.81-8.2 makedev_2.3.1-93 man-db_2.6.3-7 mawk_1.3.3-17 mount_2.20.1-5.4 multiarch-support_2.17-3 ncurses-base_5.9+20130504-1 ncurses-bin_5.9+20130504-1 passwd_1:4.1.5.1-1 patch_2.6.1-3 perl_5.14.2-21+rpi1 perl-base_5.14.2-21+rpi1 perl-modules_5.14.2-21+rpi1 plymouth_0.8.8-6 po-debconf_1.0.16+nmu2 procps_1:3.3.4-2 raspbian-archive-keyring_20120528.2 readline-common_6.2+dfsg-0.1 sbuild-build-depends-core-dummy_0.invalid.0 sbuild-build-depends-ergo-dummy_0.invalid.0 sed_4.2.2-1 sensible-utils_0.0.7 sysv-rc_2.88dsf-41 sysvinit_2.88dsf-41 sysvinit-utils_2.88dsf-41 tar_1.26+dfsg-6 tzdata_2013c-2 udev_175-7.2 util-linux_2.20.1-5.4 xz-utils_5.1.1alpha+20120614-2 zlib1g_1:1.2.8.dfsg-1
┌──────────────────────────────────────────────────────────────────────────────┐
│ Build │
└──────────────────────────────────────────────────────────────────────────────┘
Unpack source
─────────────
gpgv: keyblock resource `/sbuild-nonexistent/.gnupg/trustedkeys.gpg': file open error
gpgv: Signature made Sun Apr 28 22:11:53 2013 UTC using DSA key ID 9ED101BF
gpgv: Can't check signature: public key not found
dpkg-source: warning: failed to verify signature on ./ergo_3.2.1-1.dsc
dpkg-source: info: extracting ergo in ergo-3.2.1
dpkg-source: info: unpacking ergo_3.2.1.orig.tar.gz
dpkg-source: info: unpacking ergo_3.2.1-1.debian.tar.gz
dpkg-source: info: applying basis_skip_makefiles.patch
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
LANG=en_US.UTF-8
LC_ALL=POSIX
LOGNAME=root
LS_OPTIONS=--color=auto
MAIL=/var/mail/root
PATH=/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games
PWD=/root
SCHROOT_ALIAS_NAME=jessie-staging-armhf-sbuild
SCHROOT_CHROOT_NAME=jessie-staging-armhf-sbuild
SCHROOT_COMMAND=env
SCHROOT_GID=111
SCHROOT_GROUP=buildd
SCHROOT_SESSION_ID=jessie-staging-armhf-sbuild-648d3173-6680-42dc-9441-442a5aa2112a
SCHROOT_UID=106
SCHROOT_USER=buildd
SHELL=/bin/sh
SHLVL=1
SSH_CLIENT=192.168.1.2 53797 22
SSH_CONNECTION=192.168.1.2 53797 192.168.1.45 22
SSH_TTY=/dev/pts/0
TERM=xterm
USER=root
XDG_SESSION_COOKIE=106ef489ba27ee071ab233f6518d3bce-1371250784.150246-1803625542
_=/etc/init.d/buildd
dpkg-buildpackage
─────────────────
dpkg-buildpackage: source package ergo
dpkg-buildpackage: source version 3.2.1-1
dpkg-source --before-build ergo-3.2.1
dpkg-buildpackage: host architecture armhf
fakeroot debian/rules clean
dh clean
dh_testdir
dh_auto_clean
dh_clean
debian/rules build-arch
dh build-arch
dh_testdir -a
dh_auto_configure -a
configure: WARNING: unrecognized options: --disable-maintainer-mode
checking for a BSD-compatible install... /usr/bin/install -c
checking whether build environment is sane... yes
checking for a thread-safe mkdir -p... /bin/mkdir -p
checking for gawk... no
checking for mawk... mawk
checking whether make sets $(MAKE)... yes
checking whether make supports nested variables... yes
checking which precision to use... DOUBLE
checking whether to use internal linear algebra template library... no
checking for icc... no
checking for pgcc... no
checking for cc... cc
checking whether the C compiler works... yes
checking for C compiler default output file name... a.out
checking for suffix of executables...
checking whether we are cross compiling... no
checking for suffix of object files... o
checking whether we are using the GNU C compiler... yes
checking whether cc accepts -g... yes
checking for cc option to accept ISO C89... none needed
checking for style of include used by make... GNU
checking dependency style of cc... none
checking for icpc... no
checking for pgcpp... no
checking for c++... c++
checking whether we are using the GNU C++ compiler... yes
checking whether c++ accepts -g... yes
checking dependency style of c++... none
checking for ranlib... ranlib
checking for flex... no
checking for lex... no
checking for bison... no
checking for byacc... no
checking how to run the C preprocessor... cc -E
checking for grep that handles long lines and -e... /bin/grep
checking for egrep... /bin/grep -E
checking for ANSI C header files... yes
checking for sys/types.h... yes
checking for sys/stat.h... yes
checking for stdlib.h... yes
checking for string.h... yes
checking for memory.h... yes
checking for strings.h... yes
checking for inttypes.h... yes
checking for stdint.h... yes
checking for unistd.h... yes
checking limits.h usability... yes
checking limits.h presence... yes
checking for limits.h... yes
checking for memory.h... (cached) yes
checking stddef.h usability... yes
checking stddef.h presence... yes
checking for stddef.h... yes
checking for stdlib.h... (cached) yes
checking for string.h... (cached) yes
checking for strings.h... (cached) yes
checking sys/time.h usability... yes
checking sys/time.h presence... yes
checking for sys/time.h... yes
checking for unistd.h... (cached) yes
checking for C/C++ restrict keyword... __restrict
checking for working volatile... yes
checking for size_t... yes
checking for stdlib.h... (cached) yes
checking for GNU libc compatible malloc... yes
checking for stdlib.h... (cached) yes
checking for GNU libc compatible realloc... yes
checking for vprintf... yes
checking for _doprnt... no
checking for atexit... yes
checking for floor... no
checking for memset... yes
checking for rint... no
checking for strcasecmp... yes
checking for strchr... yes
checking for strdup... yes
checking for strncasecmp... yes
checking for pow... no
checking for pow in -lm... yes
checking for pow... (cached) no
checking for powf... yes
checking for powl... yes
checking for sqrt... yes
checking for sqrtf... yes
checking for sqrtl... yes
checking for fabs... yes
checking for fabsf... yes
checking for fabsl... yes
checking for exp... yes
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checking for expl... yes
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checking for erfcl... yes
checking for pthread_create in -lpthread... yes
checking for g77... no
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checking for lf95... no
checking for ftn... no
checking whether we are using the GNU Fortran 77 compiler... no
checking whether accepts -g... no
configure: WARNING: compilation failed
checking how to get verbose linking output from ...
checking for Fortran 77 libraries of ...
checking for dposv_... no
checking for main in -lacml... no
checking for main in -lmkl... no
checking for main in -lessl... no
checking for main in -latlas... no
checking for dgemm_ in -lblas... yes
checking for main in -lmkl_lapack... no
checking for dposv_ in -llapack... yes
checking for 10.0 icpc bug... ok
configure: creating ./config.status
config.status: creating Makefile
config.status: creating source/Makefile
config.status: creating source/basisset/Makefile
config.status: creating source/ci/Makefile
config.status: creating source/dft/Makefile
config.status: creating source/integrals/Makefile
config.status: creating source/matrix/Makefile
config.status: creating source/matrix/template_lapack/Makefile
config.status: creating source/matrix/template_lapack/blas/Makefile
config.status: creating source/matrix/template_lapack/lapack/Makefile
config.status: creating source/densfromf/Makefile
config.status: creating source/scf/Makefile
config.status: creating source/tddft/Makefile
config.status: creating source/test/Makefile
config.status: creating source/utilities/Makefile
config.status: creating source/utilities_basic/Makefile
config.status: creating basis/Makefile
config.status: creating documentation/source/Makefile
config.status: creating params/Makefile
config.status: creating mol/Makefile
config.status: creating test/Makefile
config.status: creating source/config.h
config.status: executing depfiles commands
configure: WARNING: unrecognized options: --disable-maintainer-mode
Selected precision : DOUBLE
Critical warnings : no
Linear Algebra Lib : generic
dh_auto_build -a
make[1]: Entering directory `/«PKGBUILDDIR»'
Making all in source
make[2]: Entering directory `/«PKGBUILDDIR»/source'
make all-recursive
make[3]: Entering directory `/«PKGBUILDDIR»/source'
Making all in basisset
make[4]: Entering directory `/«PKGBUILDDIR»/source/basisset'
CXX basisinfo.o
CXX basisset.o
AR libbasisset.a
make[4]: Leaving directory `/«PKGBUILDDIR»/source/basisset'
Making all in ci
make[4]: Entering directory `/«PKGBUILDDIR»/source/ci'
CXX ci.o
AR libci.a
make[4]: Leaving directory `/«PKGBUILDDIR»/source/ci'
Making all in matrix
make[4]: Entering directory `/«PKGBUILDDIR»/source/matrix'
Making all in template_lapack
make[5]: Entering directory `/«PKGBUILDDIR»/source/matrix/template_lapack'
Making all in blas
make[6]: Entering directory `/«PKGBUILDDIR»/source/matrix/template_lapack/blas'
CXX template_blas_basicmath.o
CXX template_blas_common.o
CXX template_blas_test.o
AR libtemplateblas.a
CXXLD templateblastest
CXX template_blas_test_threaded.o
CXXLD templateblastest_threaded
make[6]: Leaving directory `/«PKGBUILDDIR»/source/matrix/template_lapack/blas'
Making all in lapack
make[6]: Entering directory `/«PKGBUILDDIR»/source/matrix/template_lapack/lapack'
CXX template_lapack_common.o
CXX template_lapack_test.o
AR libtemplatelapack.a
CXXLD templatelapacktest
CXX template_lapack_test_threaded.o
CXXLD templatelapacktest_threaded
make[6]: Leaving directory `/«PKGBUILDDIR»/source/matrix/template_lapack/lapack'
make[6]: Entering directory `/«PKGBUILDDIR»/source/matrix/template_lapack'
make[6]: Nothing to be done for `all-am'.
make[6]: Leaving directory `/«PKGBUILDDIR»/source/matrix/template_lapack'
make[5]: Leaving directory `/«PKGBUILDDIR»/source/matrix/template_lapack'
make[5]: Entering directory `/«PKGBUILDDIR»/source/matrix'
CXX SizesAndBlocks.o
CXX gblas.o
CXX FileWritable.o
CXX matInclude.o
AR libmat.a
CXX API_test.o
API_test.cc: In function 'int mainFun(int, char**) [with real = float]':
API_test.cc:134:5: note: variable tracking size limit exceeded with -fvar-tracking-assignments, retrying without
API_test.cc: In function 'int mainFun(int, char**) [with real = double]':
API_test.cc:134:5: note: variable tracking size limit exceeded with -fvar-tracking-assignments, retrying without
CXXLD mattest
CXX testOmpFail.o
CXXLD omptest
CXX bench.o
CXXLD matbench
CXX bench_gemm_only.o
CXXLD matbenchgemm
CXX blastime.o
CXXLD blastime
CXX Perturb_Test.o
CXXLD perturbtest
make[5]: Leaving directory `/«PKGBUILDDIR»/source/matrix'
make[4]: Leaving directory `/«PKGBUILDDIR»/source/matrix'
Making all in densfromf
make[4]: Entering directory `/«PKGBUILDDIR»/source/densfromf'
CXX densfromf_full.o
CXX densfromf_general.o
CXX densfromf_sparse.o
CXX simple_purification.o
AR libdensfromf.a
make[4]: Leaving directory `/«PKGBUILDDIR»/source/densfromf'
Making all in dft
make[4]: Entering directory `/«PKGBUILDDIR»/source/dft'
CXX aos.o
CXX cubature_rules.o
CXX dft_common.o
CC fun-becke.o
CC fun-cam.o
CC fun-gga.o
CC fun-kt.o
CC fun-lb94.o
CC fun-lyp.o
CC fun-optx.o
CC fun-p86c.o
CC fun-pbec.o
CC fun-pbex.o
CC fun-pw86x.o
CC fun-pw91c.o
CC fun-pw91x.o
CC fun-pw92c.o
CC fun-pz81.o
CC fun-slater.o
CXX fun-tester.o
CC fun-vwn.o
CC functionals.o
CXX grid_atomic.o
CXX grid_hicu.o
CXX grid_reader.o
CXX grid_stream.o
CXX integrator.o
CXX lebedev_laikov.o
CXX lin_trans.o
CXX rho-mat.o
CXX sparse_matrix.o
CXX sparse_pattern.o
CXX xc_matrix.o
CXX xc_matrix_sparse.o
AR libdft.a
make[4]: Leaving directory `/«PKGBUILDDIR»/source/dft'
Making all in integrals
make[4]: Entering directory `/«PKGBUILDDIR»/source/integrals'
CXX basis_func_extent.o
CXX basis_func_extent_1el.o
CXX basis_func_pair_list.o
CXX basis_func_pair_list_1el.o
CXX box_system.o
CXX boysfunction.o
CXX densityfitting.o
CXX exponent_list.o
CXX hermite_conversion_explicit.o
CXX hermite_conversion_prep.o
CXX hermite_conversion_symb.o
CXX integral_info.o
CXX integrals_1el.o
CXX integrals_1el_kinetic.o
CXX integrals_1el_potential.o
CXX integrals_1el_single.o
CXX integrals_2el_boxed.o
CXX integrals_2el_coulomb.o
CXX integrals_2el_exchange.o
CXX integrals_2el_exchange_prep.o
CXX integrals_2el_explicit.o
CXX integrals_2el_layer.o
CXX integrals_2el_repeating.o
CXX integrals_2el_single.o
CXX integrals_2el_utils.o
CXX integrals_general.o
CXX integrals_hermite.o
CXX matrix_norm.o
CXX mm_limit_table.o
CXX monomial_info.o
CXX multipole.o
CXX operator_matrix.o
CXX organize_distrs.o
AR libintegrals.a
make[4]: Leaving directory `/«PKGBUILDDIR»/source/integrals'
Making all in scf
make[4]: Entering directory `/«PKGBUILDDIR»/source/scf'
CXX diis_general.o
CXX diis_restricted.o
CXX diis_unrestricted.o
CXX tdhf_dynamics.o
CXX scf_utils.o
CXX SCF_general.o
CXX SCF_restricted.o
CXX SCF_unrestricted.o
CXX SCF_statistics.o
CXX scf.o
AR libscf.a
make[4]: Leaving directory `/«PKGBUILDDIR»/source/scf'
Making all in utilities
make[4]: Entering directory `/«PKGBUILDDIR»/source/utilities'
CXX integral_matrix_wrappers.o
CXX matrix_utilities.o
CXX matrix_utilities_gao.o
CXX density_description_file_2.o
CXX density_projection.o
CXX densitymanager.o
CC atom_labels.o
CXX xyz_file_parser.o
CXX molecule.o
AR libutilities.a
make[4]: Leaving directory `/«PKGBUILDDIR»/source/utilities'
Making all in utilities_basic
make[4]: Entering directory `/«PKGBUILDDIR»/source/utilities_basic'
CC barrier.o
CXX csr_matrix.o
CXX ergo_math.o
CXX machine_epsilon.o
CXX matrix_algebra.o
CC memorymanag.o
CC output.o
CXX solve_lin_eq_syst.o
CC utilities.o
AR libutilities_basic.a
make[4]: Leaving directory `/«PKGBUILDDIR»/source/utilities_basic'
Making all in .
make[4]: Entering directory `/«PKGBUILDDIR»/source'
CC ergo_input_processor.o
ergo_input_processor.c: In function 'yyparse':
ergo_input_processor.c:1842:9: warning: passing argument 1 of 'yyerror' discards 'const' qualifier from pointer target type [enabled by default]
ergo_input_processor.y:13:5: note: expected 'char *' but argument is of type 'const char *'
CC ergo_input_parser.o
CXX ergo_scripted.o
CXX slr.o
CXXLD ergo
CXX bin2m.o
CXXLD bin2m
CXX fermi_contact.o
CXXLD fermi_contact
make[4]: Leaving directory `/«PKGBUILDDIR»/source'
Making all in tddft
make[4]: Entering directory `/«PKGBUILDDIR»/source/tddft'
CXX tddft.o
CXX tddft_test.o
CXXLD tddft_test
make[4]: Leaving directory `/«PKGBUILDDIR»/source/tddft'
Making all in test
make[4]: Entering directory `/«PKGBUILDDIR»/source/test'
CXX basicmath_test.o
CXXLD basicmath_test
CXX lapack_test.o
CXXLD lapack_test
CXX grid_test.o
CXXLD grid_test
CXX stream_test.o
CXXLD stream_test
CXX tmat_test.o
CXXLD tmat_test
CXX vmat_test.o
CXXLD vmat_test
CXX mat_thread_test.o
CXXLD mat_thread_test
CXX jmat_test.o
CXXLD jmat_test
CXX jmat_extrapolate_test.o
CXXLD jmat_extrapolate_test
CXX kmat_test.o
CXXLD kmat_test
CXX kmat_symm_test.o
CXXLD kmat_symm_test
CXX kmat_nosymm_test.o
CXXLD kmat_nosymm_test
CXX explicit_integral_test.o
CXXLD explicit_integral_test
CXX xcmat_test.o
CXXLD xcmat_test
CXX xcmat_sparse_test.o
CXXLD xcmat_sparse_test
CXX matmem_test.o
CXXLD matmem_test
CXX mmul_simple_test.o
CXXLD mmul_simple_test
CXX mmul_simple_many_test.o
CXXLD mmul_simple_many_test
CXX mmul_rectangular_test.o
CXXLD mmul_rectangular_test
make[4]: Leaving directory `/«PKGBUILDDIR»/source/test'
make[3]: Leaving directory `/«PKGBUILDDIR»/source'
make[2]: Leaving directory `/«PKGBUILDDIR»/source'
Making all in basis
make[2]: Entering directory `/«PKGBUILDDIR»/basis'
make[2]: Nothing to be done for `all'.
make[2]: Leaving directory `/«PKGBUILDDIR»/basis'
Making all in params
make[2]: Entering directory `/«PKGBUILDDIR»/params'
make[2]: Nothing to be done for `all'.
make[2]: Leaving directory `/«PKGBUILDDIR»/params'
Making all in mol
make[2]: Entering directory `/«PKGBUILDDIR»/mol'
make[2]: Nothing to be done for `all'.
make[2]: Leaving directory `/«PKGBUILDDIR»/mol'
Making all in test
make[2]: Entering directory `/«PKGBUILDDIR»/test'
make[2]: Nothing to be done for `all'.
make[2]: Leaving directory `/«PKGBUILDDIR»/test'
Making all in documentation/source
make[2]: Entering directory `/«PKGBUILDDIR»/documentation/source'
make[2]: Nothing to be done for `all'.
make[2]: Leaving directory `/«PKGBUILDDIR»/documentation/source'
make[2]: Entering directory `/«PKGBUILDDIR»'
make[2]: Nothing to be done for `all-am'.
make[2]: Leaving directory `/«PKGBUILDDIR»'
make[1]: Leaving directory `/«PKGBUILDDIR»'
debian/rules override_dh_auto_test
make[1]: Entering directory `/«PKGBUILDDIR»'
dh_auto_test
make[2]: Entering directory `/«PKGBUILDDIR»'
Making check in source
make[3]: Entering directory `/«PKGBUILDDIR»/source'
make check-recursive
make[4]: Entering directory `/«PKGBUILDDIR»/source'
Making check in basisset
make[5]: Entering directory `/«PKGBUILDDIR»/source/basisset'
make[5]: Nothing to be done for `check'.
make[5]: Leaving directory `/«PKGBUILDDIR»/source/basisset'
Making check in ci
make[5]: Entering directory `/«PKGBUILDDIR»/source/ci'
make[5]: Nothing to be done for `check'.
make[5]: Leaving directory `/«PKGBUILDDIR»/source/ci'
Making check in matrix
make[5]: Entering directory `/«PKGBUILDDIR»/source/matrix'
Making check in template_lapack
make[6]: Entering directory `/«PKGBUILDDIR»/source/matrix/template_lapack'
Making check in blas
make[7]: Entering directory `/«PKGBUILDDIR»/source/matrix/template_lapack/blas'
make check-TESTS
make[8]: Entering directory `/«PKGBUILDDIR»/source/matrix/template_lapack/blas'
Testing template_blas
template_blas_nrm2 returned 1.41421
template_blas_gemm finished.
pi = 3.14159
pi = 3.141592653589793
template_blas test OK
Testing template_blas with threads
Thread 1091339360 finished OK.
Thread 1099727968 finished OK.
Thread 1097630816 finished OK.
Thread 1089242208 finished OK.
Thread 1093436512 finished OK.
Thread 1087145056 finished OK.
Thread 1095533664 finished OK.
Thread 1101825120 finished OK.
pi = 3.141592653589793
template_blas_test_threaded test ended OK.
template_blas with threads test OK
PASS: test.sh
=============
1 test passed
=============
make[8]: Leaving directory `/«PKGBUILDDIR»/source/matrix/template_lapack/blas'
make[7]: Leaving directory `/«PKGBUILDDIR»/source/matrix/template_lapack/blas'
Making check in lapack
make[7]: Entering directory `/«PKGBUILDDIR»/source/matrix/template_lapack/lapack'
make check-TESTS
make[8]: Entering directory `/«PKGBUILDDIR»/source/matrix/template_lapack/lapack'
Testing template_lapack
template_blas_gemm finished.
calling template_lapack_spgst
calling template_lapack_tptri
calling template_lapack_sygv
calling template_lapack_trtri
testing template_lapack_gesv()..
OK
solution: -2 0.333333 3
template_lapack tests finished OK.
template_lapack test OK
Testing template_lapack with threads
Thread 1093452896 finished OK.
Thread 1091355744 finished OK.
Thread 1089258592 finished OK.
Thread 1087161440 finished OK.
Thread 1101841504 finished OK.
Thread 1095550048 finished OK.
Thread 1097647200 finished OK.
Thread 1099744352 finished OK.
template_lapack_threaded test finished OK.
template_lapack with threads test OK
PASS: test.sh
=============
1 test passed
=============
make[8]: Leaving directory `/«PKGBUILDDIR»/source/matrix/template_lapack/lapack'
make[7]: Leaving directory `/«PKGBUILDDIR»/source/matrix/template_lapack/lapack'
make[7]: Entering directory `/«PKGBUILDDIR»/source/matrix/template_lapack'
make[7]: Nothing to be done for `check-am'.
make[7]: Leaving directory `/«PKGBUILDDIR»/source/matrix/template_lapack'
make[6]: Leaving directory `/«PKGBUILDDIR»/source/matrix/template_lapack'
make[6]: Entering directory `/«PKGBUILDDIR»/source/matrix'
make check-TESTS
make[7]: Entering directory `/«PKGBUILDDIR»/source/matrix'
Testing code sensitive for some compilers when OpenMP is used
Testing code sensitive when certain compilers are used with OpenMP:
OpenMP is used? NO
Test OK
OpenMP test OK
Testing matrix library
=========================================================
Testing matrix library with double precision:
=========================================================
Running tests with blocksize vector: 5 1 1
Matrix has 682 nonzero elements out of 7569 possible.
Max Absolute Error: 0
Matrix multiply test:
Max Absolute Error: 0 OK
Transposed matrix multiply test:
Max Absolute Error: 8.881784197e-16 OK
Symmetric matrix mul (symm) test:
Max Absolute Error: 8.881784197e-16 OK
Symmetric rank-k update (syrk) test:
Max Absolute Error: 0 OK
Symmetric matrix square test:
Max Absolute Error: 1.776356839e-15 OK
Symmetric-symmetric matrix multiply test:
Max Absolute Error: 8.881784197e-16 OK
Triangular-general matrix multiply test 1:
Max Absolute Error: 5.329070518e-15 OK
Triangular-general matrix multiply test 2:
Max Absolute Error: 3.552713679e-15 OK
Frobenius norm (general matrix) test:
Absolute Difference: 5.329070518e-15 OK
Frobenius norm (symmetric matrix) test:
Absolute Difference: 3.552713679e-15 OK
Frobenius norm (triangular matrix) test:
Absolute Difference: 7.105427358e-14 OK
Frobenius norm diff (general matrix) test:
Absolute Error: 0 OK
Frobenius norm diff (symmetric matrix) test:
Absolute Error: 0 OK
Write to file (general matrix) test:
Absolute Error: 0 OK
Trace (general matrix) test:
Absolute Difference: 0 OK
Addition (general matrix) test:
Absolute Difference: 0 OK
Addition (symmetric matrix) test:
Absolute Difference: 0 OK
Triple matrix multiply test 1:
Max Absolute Error: 5.684341886e-14 OK
Triple matrix multiply test 2:
Max Absolute Error: 7.105427358e-14 OK
Frobenius thresholding test 1:
Requested threshold: 0.01
Received Error: 0.009373231488 OK
Frobenius thresholding test 2:
Requested threshold: 0.1
Received Error: 0.09850751309 OK
Frobenius thresholding test 3:
Requested threshold: 1
Received Error: 0.999078585 OK
Frobenius thresholding test 4:
Requested threshold: 10
Received Error: 9.996607941 OK
Inverse Cholesky test:
Max Absolute Error: 2.775557562e-17 OK
Gersgorin eigenvalue bounds test:
Reference: -41.78708166, 42.67244397
Computed: -41.78708166, 42.67244397 OK
Memory usage function test:
General matrix memory usage : 60552 bytes OK
Symmetric matrix memory usage: 30624 bytes OK
Accumulate test OK.
Vector contructors, copy, and assignment test: OK
Dot product test:
Error: 0 OK
Euclidean norm (vector) test:
Error: 1.110223025e-16 OK
axpy test:
Error: 0 OK
Matrix-vector product test 1:
Max Absolute Error: 0 OK
Matrix-vector product test 2:
Max Absolute Error: 4.440892099e-16 OK
Matrix-vector product test 3:
Max Absolute Error: 8.881784197e-16 OK
Symm Matrix-vector product test 1:
Max Absolute Error: 6.661338148e-16 OK
Symm Matrix-vector product test 2:
Max Absolute Error: 4.440892099e-16 OK
Symm Matrix-vector product test 3:
Max Absolute Error: 1.33226763e-15 OK
Triang Matrix-vector product test 1:
Max Absolute Error: 0 OK
Triang Matrix-vector product test 2:
Max Absolute Error: 2.664535259e-15 OK
Lanczos largest magnitude test :
Requested accuracy: 1.490116119e-09
Indicated Error: 2.790764289e-10
Actual Error: 2.51168951e-10 OK
Lanczos largest magnitude test again (0) :
Requested accuracy: 1e-13
Indicated Error: 6.75080049e-14
'Actual Error' (resVec norm): 6.076061352e-14
Actual Error (really): 5.974387651e-14 OK
Lanczos largest magnitude test again (1) :
Requested accuracy: 1e-13
Indicated Error: 6.66474793e-14
'Actual Error' (resVec norm): 5.998494355e-14
Actual Error (really): 5.104250356e-14 OK
Lanczos largest magnitude test again (2) :
Requested accuracy: 1e-13
Indicated Error: 6.658074696e-14
'Actual Error' (resVec norm): 5.99196809e-14
Actual Error (really): 7.087386233e-14 OK
Lanczos largest magnitude test again (3) :
Requested accuracy: 1e-13
Indicated Error: 6.738192496e-14
'Actual Error' (resVec norm): 6.064114041e-14
Actual Error (really): 5.68017855e-14 OK
Lanczos largest magnitude test again (4) :
Requested accuracy: 1e-13
Indicated Error: 6.569826797e-14
'Actual Error' (resVec norm): 5.912521112e-14
Actual Error (really): 7.47873985e-14 OK
Lanczos largest magnitude test again (5) :
Requested accuracy: 1e-13
Indicated Error: 5.230692301e-14
'Actual Error' (resVec norm): 4.707938712e-14
Actual Error (really): 2.238487173e-14 OK
Lanczos largest magnitude test again (6) :
Requested accuracy: 1e-13
Indicated Error: 6.708455183e-14
'Actual Error' (resVec norm): 6.0371857e-14
Actual Error (really): 5.387357227e-14 OK
Lanczos largest magnitude test again (7) :
Requested accuracy: 1e-13
Indicated Error: 6.732219974e-14
'Actual Error' (resVec norm): 6.058521283e-14
Actual Error (really): 6.541295283e-14 OK
Lanczos largest magnitude test again (8) :
Requested accuracy: 1e-13
Indicated Error: 6.722707892e-14
'Actual Error' (resVec norm): 6.050477482e-14
Actual Error (really): 5.512257317e-14 OK
Lanczos largest magnitude test again (9) :
Requested accuracy: 1e-13
Indicated Error: 6.746662127e-14
'Actual Error' (resVec norm): 6.072381915e-14
Actual Error (really): 5.83977311e-14 OK
Lanczos largest magnitude test again (10) :
Requested accuracy: 1e-13
Indicated Error: 5.162943599e-14
'Actual Error' (resVec norm): 4.646710727e-14
Actual Error (really): 2.161465451e-14 OK
Lanczos largest magnitude test again (11) :
Requested accuracy: 1e-13
Indicated Error: 6.651595876e-14
'Actual Error' (resVec norm): 5.986106699e-14
Actual Error (really): 5.032085859e-14 OK
Lanczos largest magnitude test again (12) :
Requested accuracy: 1e-13
Indicated Error: 6.073389512e-14
'Actual Error' (resVec norm): 5.466317839e-14
Actual Error (really): 8.731210199e-14 OK
Lanczos largest magnitude test again (13) :
Requested accuracy: 1e-13
Indicated Error: 6.697947057e-14
'Actual Error' (resVec norm): 6.028198499e-14
Actual Error (really): 5.309641615e-14 OK
Lanczos largest magnitude test again (14) :
Requested accuracy: 1e-13
Indicated Error: 4.147710589e-14
'Actual Error' (resVec norm): 3.732949014e-14
Actual Error (really): 1.283001483e-14 OK
Lanczos largest magnitude test again (15) :
Requested accuracy: 1e-13
Indicated Error: 6.740393815e-14
'Actual Error' (resVec norm): 6.066115675e-14
Actual Error (really): 6.435824096e-14 OK
Lanczos largest magnitude test again (16) :
Requested accuracy: 1e-13
Indicated Error: 6.276557162e-14
'Actual Error' (resVec norm): 5.649079653e-14
Actual Error (really): 3.837208329e-14 OK
Lanczos largest magnitude test again (17) :
Requested accuracy: 1e-13
Indicated Error: 6.584314193e-14
'Actual Error' (resVec norm): 5.925746868e-14
Actual Error (really): 7.422534809e-14 OK
Lanczos largest magnitude test again (18) :
Requested accuracy: 1e-13
Indicated Error: 6.743015376e-14
'Actual Error' (resVec norm): 6.069365836e-14
Actual Error (really): 6.387251839e-14 OK
Lanczos largest magnitude test again (19) :
Requested accuracy: 1e-13
Indicated Error: 6.704715482e-14
'Actual Error' (resVec norm): 6.034123829e-14
Actual Error (really): 5.358907762e-14 OK
Lanczos largest magnitude test (Diff matrix) :
Requested accuracy: 1.490116119e-09
Indicated Error: 4.440892099e-16
Actual Error: -2.220446049e-16 OK
Euclidean truncation test, symmetric matrices 1:
Requested threshold: 0.01
Received Error: 0.009579419527 OK
Euclidean truncation test, symmetric matrices 2:
Requested threshold: 0.1
Received Error: 0.06121431858 OK
Euclidean truncation test, symmetric matrices 3:
Requested threshold: 1
Received Error: 0.9850758515 OK
Euclidean truncation test, symmetric matrices 4:
Requested threshold: 10
Received Error: 1.371169877 OK
mixed norm res: 0.009368583232
Mixed norm truncation test, symmetric matrices 1:
Requested threshold: 0.01
Received Error (Euclidean norm): 0.009268583259 OK
mixed norm res: 0.09843459291
Mixed norm truncation test, symmetric matrices 2:
Requested threshold: 0.1
Received Error (Euclidean norm): 0.09743459317 OK
mixed norm res: 0.7195938289
Mixed norm truncation test, symmetric matrices 3:
Requested threshold: 1
Received Error (Euclidean norm): 0.7095938354 OK
mixed norm res: 1.511691098
Mixed norm truncation test, symmetric matrices 4:
Requested threshold: 10
Received Error (Euclidean norm): 1.411691187 OK
Euclidean truncation test, triangular matrices 1:
Requested threshold: 0.01
Received Error: 0.002535339278 OK
Euclidean truncation test, triangular matrices 2:
Requested threshold: 0.1
Received Error: 0.02466599259 OK
Euclidean truncation test, triangular matrices 3:
Requested threshold: 1
Received Error: 0.2476925998 OK
Euclidean truncation test, triangular matrices 4:
Requested threshold: 10
Received Error: 1.168702475 OK
Euclidean truncation test, general matrices 1:
Requested threshold: 0.01
Received Error: 0.003015079655 OK
Euclidean truncation test, general matrices 2:
Requested threshold: 0.1
Received Error: 0.02651574925 OK
Euclidean truncation test, general matrices 3:
Requested threshold: 1
Received Error: 0.2393536839 OK
Euclidean truncation test, general matrices 4:
Requested threshold: 10
Received Error: 1.421197989 OK
Test truncation with triple matrix measure:
Requested threshold: 0.01
Received Error: 0.008914966454
Reported Error: 0.009005104542 OK
Test timers in FileWritable:
Initial values :
Write : 0 s
Read : 0 s
Copy and assign : 0 s
After 1st writeToFile :
Write : 1.4e-05 s (MatrixSymmetric) = 1.4e-05 s
Read : 0 s
Copy and assign : 0 s
After 1st readFromFile :
Write : 1.4e-05 s (MatrixSymmetric) = 1.4e-05 s
Read : 8.1e-06 s (MatrixSymmetric) = 8.1e-06 s
Copy and assign : 0 s
After 2nd writeToFile :
Write : 1.4e-05 s (MatrixSymmetric) + 7.2e-06 s (VectorGeneral) = 2.1e-05 s
Read : 8.1e-06 s (MatrixSymmetric) = 8.1e-06 s
Copy and assign : 0 s
After 2nd readFromFile :
Write : 1.4e-05 s (MatrixSymmetric) + 7.2e-06 s (VectorGeneral) = 2.1e-05 s
Read : 8.1e-06 s (MatrixSymmetric) + 5e-06 s (VectorGeneral) = 1.3e-05 s
Copy and assign : 0 s
Total counts :
Write : 1 (MatrixSymmetric) + 1 (VectorGeneral) = 2
Read : 1 (MatrixSymmetric) + 1 (VectorGeneral) = 2
Copy and assign : 0
Matrix library tests with double precision completed successfully!
=========================================================
Testing matrix library with single precision:
=========================================================
Running tests with blocksize vector: 5 1 1
Matrix has 781 nonzero elements out of 7569 possible.
Max Absolute Error: 0
Matrix multiply test:
Max Absolute Error: 0 OK
Transposed matrix multiply test:
Max Absolute Error: 4.768371582e-07 OK
Symmetric matrix mul (symm) test:
Max Absolute Error: 4.768371582e-07 OK
Symmetric rank-k update (syrk) test:
Max Absolute Error: 0 OK
Symmetric matrix square test:
Max Absolute Error: 1.907348633e-06 OK
Symmetric-symmetric matrix multiply test:
Max Absolute Error: 4.768371582e-07 OK
Triangular-general matrix multiply test 1:
Max Absolute Error: 2.861022949e-06 OK
Triangular-general matrix multiply test 2:
Max Absolute Error: 9.536743164e-07 OK
Frobenius norm (general matrix) test:
Absolute Difference: 4.768371582e-06 OK
Frobenius norm (symmetric matrix) test:
Absolute Difference: 1.907348633e-06 OK
Frobenius norm (triangular matrix) test:
Absolute Difference: 3.814697266e-06 OK
Frobenius norm diff (general matrix) test:
Absolute Error: 0 OK
Frobenius norm diff (symmetric matrix) test:
Absolute Error: 0 OK
Write to file (general matrix) test:
Absolute Error: 0 OK
Trace (general matrix) test:
Absolute Difference: 0 OK
Addition (general matrix) test:
Absolute Difference: 0 OK
Addition (symmetric matrix) test:
Absolute Difference: 0 OK
Triple matrix multiply test 1:
Max Absolute Error: 3.051757812e-05 OK
Triple matrix multiply test 2:
Max Absolute Error: 3.814697266e-05 OK
Frobenius thresholding test 1:
Requested threshold: 0.009999999776
Received Error: 0.009765628725 OK
Frobenius thresholding test 2:
Requested threshold: 0.1000000015
Received Error: 0.09971819073 OK
Frobenius thresholding test 3:
Requested threshold: 1
Received Error: 0.9984552264 OK
Frobenius thresholding test 4:
Requested threshold: 10
Received Error: 9.996099472 OK
Skipping inverse Cholesky test since lapack
single precision Cholesky (spptrf) is unstable.
Gersgorin eigenvalue bounds test:
Reference: -36.72556305, 38.64684296
Computed: -36.72556305, 38.64684296 OK
Memory usage function test:
General matrix memory usage : 30276 bytes OK
Symmetric matrix memory usage: 15312 bytes OK
Accumulate test OK.
Vector contructors, copy, and assignment test: OK
Dot product test:
Error: 1.192092896e-07 OK
Euclidean norm (vector) test:
Error: 5.960464478e-08 OK
axpy test:
Error: 0 OK
Matrix-vector product test 1:
Max Absolute Error: 0 OK
Matrix-vector product test 2:
Max Absolute Error: 2.384185791e-07 OK
Matrix-vector product test 3:
Max Absolute Error: 2.384185791e-07 OK
Symm Matrix-vector product test 1:
Max Absolute Error: 2.384185791e-07 OK
Symm Matrix-vector product test 2:
Max Absolute Error: 2.384185791e-07 OK
Symm Matrix-vector product test 3:
Max Absolute Error: 4.768371582e-07 OK
Triang Matrix-vector product test 1:
Max Absolute Error: 0 OK
Triang Matrix-vector product test 2:
Max Absolute Error: 1.192092896e-06 OK
Skipping Lanczos test for single precision.
Skipping Lanczos test for single precision.
Skipping Lanczos (Diff) test for single precision.
Euclidean truncation test, symmetric matrices 1:
Requested threshold: 0.009999999776
Received Error: 0.009233999066 OK
Euclidean truncation test, symmetric matrices 2:
Requested threshold: 0.1000000015
Received Error: 0.06537216157 OK
Euclidean truncation test, symmetric matrices 3:
Requested threshold: 1
Received Error: 0.6567284465 OK
Euclidean truncation test, symmetric matrices 4:
Requested threshold: 10
Received Error: 1.315787554 OK
mixed norm res: 0.007000158075
Mixed norm truncation test, symmetric matrices 1:
Requested threshold: 0.009999999776
Received Error (Euclidean norm): 0.006900889333 OK
mixed norm res: 0.08167488128
Mixed norm truncation test, symmetric matrices 2:
Requested threshold: 0.1000000015
Received Error (Euclidean norm): 0.08068466932 OK
mixed norm res: 0.8052093387
Mixed norm truncation test, symmetric matrices 3:
Requested threshold: 1
Received Error (Euclidean norm): 0.7952739 OK
mixed norm res: 1.456463099
Mixed norm truncation test, symmetric matrices 4:
Requested threshold: 10
Received Error (Euclidean norm): 1.357659221 OK
Euclidean truncation test, triangular matrices 1:
Requested threshold: 0.009999999776
Received Error: 0.002889560303 OK
Euclidean truncation test, triangular matrices 2:
Requested threshold: 0.1000000015
Received Error: 0.02458819002 OK
Euclidean truncation test, triangular matrices 3:
Requested threshold: 1
Received Error: 0.2337097228 OK
Euclidean truncation test, triangular matrices 4:
Requested threshold: 10
Received Error: 1.114465237 OK
Euclidean truncation test, general matrices 1:
Requested threshold: 0.009999999776
Received Error: 0.002592610661 OK
Euclidean truncation test, general matrices 2:
Requested threshold: 0.1000000015
Received Error: 0.02659651078 OK
Euclidean truncation test, general matrices 3:
Requested threshold: 1
Received Error: 0.255449295 OK
Euclidean truncation test, general matrices 4:
Requested threshold: 10
Received Error: 1.357917309 OK
Test truncation with triple matrix measure:
Requested threshold: 0.009999999776
Received Error: 0.007639791816
Reported Error: 0.007729408331 OK
Test timers in FileWritable:
Initial values :
Write : 0 s
Read : 0 s
Copy and assign : 0 s
After 1st writeToFile :
Write : 1.3e-05 s (MatrixSymmetric) = 1.3e-05 s
Read : 0 s
Copy and assign : 0 s
After 1st readFromFile :
Write : 1.3e-05 s (MatrixSymmetric) = 1.3e-05 s
Read : 6e-06 s (MatrixSymmetric) = 6e-06 s
Copy and assign : 0 s
After 2nd writeToFile :
Write : 1.3e-05 s (MatrixSymmetric) + 6e-06 s (VectorGeneral) = 1.9e-05 s
Read : 6e-06 s (MatrixSymmetric) = 6e-06 s
Copy and assign : 0 s
After 2nd readFromFile :
Write : 1.3e-05 s (MatrixSymmetric) + 6e-06 s (VectorGeneral) = 1.9e-05 s
Read : 6e-06 s (MatrixSymmetric) + 5e-06 s (VectorGeneral) = 1.1e-05 s
Copy and assign : 0 s
Total counts :
Write : 1 (MatrixSymmetric) + 1 (VectorGeneral) = 2
Read : 1 (MatrixSymmetric) + 1 (VectorGeneral) = 2
Copy and assign : 0
Matrix library tests with single precision completed successfully!
All matrix library tests OK
Skipping matrix library benchmark
To run benchmark, run check as: make check RUN_BENCHMARK=1
PASS: test.sh
=============
1 test passed
=============
make[7]: Leaving directory `/«PKGBUILDDIR»/source/matrix'
make[6]: Leaving directory `/«PKGBUILDDIR»/source/matrix'
make[5]: Leaving directory `/«PKGBUILDDIR»/source/matrix'
Making check in densfromf
make[5]: Entering directory `/«PKGBUILDDIR»/source/densfromf'
make[5]: Nothing to be done for `check'.
make[5]: Leaving directory `/«PKGBUILDDIR»/source/densfromf'
Making check in dft
make[5]: Entering directory `/«PKGBUILDDIR»/source/dft'
make[5]: Nothing to be done for `check'.
make[5]: Leaving directory `/«PKGBUILDDIR»/source/dft'
Making check in integrals
make[5]: Entering directory `/«PKGBUILDDIR»/source/integrals'
make[5]: Nothing to be done for `check'.
make[5]: Leaving directory `/«PKGBUILDDIR»/source/integrals'
Making check in scf
make[5]: Entering directory `/«PKGBUILDDIR»/source/scf'
make[5]: Nothing to be done for `check'.
make[5]: Leaving directory `/«PKGBUILDDIR»/source/scf'
Making check in utilities
make[5]: Entering directory `/«PKGBUILDDIR»/source/utilities'
make[5]: Nothing to be done for `check'.
make[5]: Leaving directory `/«PKGBUILDDIR»/source/utilities'
Making check in utilities_basic
make[5]: Entering directory `/«PKGBUILDDIR»/source/utilities_basic'
make[5]: Nothing to be done for `check'.
make[5]: Leaving directory `/«PKGBUILDDIR»/source/utilities_basic'
Making check in .
make[5]: Entering directory `/«PKGBUILDDIR»/source'
make[5]: Leaving directory `/«PKGBUILDDIR»/source'
Making check in tddft
make[5]: Entering directory `/«PKGBUILDDIR»/source/tddft'
make[5]: Nothing to be done for `check'.
make[5]: Leaving directory `/«PKGBUILDDIR»/source/tddft'
Making check in test
make[5]: Entering directory `/«PKGBUILDDIR»/source/test'
make check-TESTS
make[6]: Entering directory `/«PKGBUILDDIR»/source/test'
machine_epsilon = 2.22045e-16 Run with env VERBOSE for more info.
Basic math functions test succeeded.
PASS: basicmath_test
machine_epsilon = 2.22045e-16 Run with env VERBOSE for more info.
LAPACK test succeeded.
PASS: lapack_test
Default number of threads: 4Grid generation 500 times succeeded.
PASS: grid_test
PASS: stream_test
XC GC2 LDA/SVWN5 test OK
XC Turbo LDA/SVWN5 test OK
XC LMG LDA/SVWN5 test OK
XC LMG GGA/BP86 test OK
XC Turbo GGA/BP86 test OK
XC LMG LDA/Combine Slater=1 PZ81=1 test OK
XC LMG GGA/BLYP test OK
PASS: xcmat_test
Sparse XC BLYP (grid std ) test OK
Sparse XC SVWN5 (grid std ) test OK
Sparse XC BLYP (grid HiCu) test OK
Sparse XC SVWN5 (grid HiCu) test OK
Success: YES
PASS: xcmat_sparse_test
T test succeeded.
PASS: tmat_test
diff = 0.00020431877
S vs V comparison test OK.
maxAbsDiff = 0.000000001432081
maxAbsDiff2 = 0.000000001432081
test_V_by_explicit_comparison OK.
test_V_by_explicit_comparison_tight test repeated, 100 times, errorCount = 0
V matrix tests OK.
PASS: vmat_test
A2 = 1.0 * A * A operation took 0.030 wall seconds.
inch operation took 0.025 wall seconds.
X = transpose(Z) * X * Z operation took 0.014 wall seconds.
mat_thread_test finished OK.
PASS: mat_thread_test
J test OK, diffNorm = 1.867e-06
PASS: jmat_test
Scan result:
1.3335e-08 5.5697e-06 1.9085e-06 8.0484e-07
1.7783e-08 8.6979e-06 3.2486e-06 1.0667e-06
2.3714e-08 1.4644e-05 5.8201e-06 1.7157e-06
3.1623e-08 2.1293e-05 7.7484e-06 2.0547e-06
J extrapolate test OK
PASS: jmat_extrapolate_test
K test OK, diffNorm = 2.073e-07
PASS: kmat_test
K test OK, maxabsdiff_explicitcheck = 3.846e-08
PASS: kmat_symm_test
K nosymm test OK, maxabsdiff_explicitcheck = 3.916e-08
PASS: kmat_nosymm_test
machine_epsilon = 2.2204e-16, using h = 2.2204e-12
try_integral_diffs finished OK, count = 560.
PASS: explicit_integral_test
Matrix mem usage test OK
PASS: matmem_test
mmul_simple_test start, matrix size n = 500.
random matrices A and B generated OK.
do_naive_mmul took 4.785 wall seconds.
verify_mmul_result, verified 212 elements, maxabsdiff = 0
BLAS gemm call took 4.908 wall seconds.
Max abs diff (elementwise) between naive and BLAS gemm results: 0
verify_mmul_result, verified 250 elements, maxabsdiff = 0
BLAS gemm call took 4.943 wall seconds.
Max abs diff (elementwise) between naive and BLAS gemm results: 0
verify_mmul_result, verified 251 elements, maxabsdiff = 0
mmul_simple_test finished OK.
PASS: mmul_simple_test
mmul_simple_many_test start, m = 10, matrix size n = 500.
random matrix lists A and B generated OK.
do_naive_mmul took 42.447 wall seconds.
BLAS gemm call took 48.853 wall seconds.
Max abs diff (elementwise) between naive and BLAS gemm results: 0
BLAS gemm call took 48.774 wall seconds.
Max abs diff (elementwise) between naive and BLAS gemm results: 0
mmul_simple_many_test finished OK.
PASS: mmul_simple_many_test
mmul_simple_test start, matrix sizes n = 500, m = 500, p = 500.
random matrices A and B generated OK.
do_naive_mmul took 4.720 wall seconds.
verify_mmul_result, verified 212 elements, maxabsdiff = 0
BLAS gemm call took 4.888 wall seconds.
Max abs diff (elementwise) between naive and BLAS gemm results: 0
verify_mmul_result, verified 250 elements, maxabsdiff = 0
BLAS gemm call took 4.901 wall seconds.
Max abs diff (elementwise) between naive and BLAS gemm results: 0
verify_mmul_result, verified 251 elements, maxabsdiff = 0
mmul_simple_test finished OK.
PASS: mmul_rectangular_test
===================
All 19 tests passed
===================
make[6]: Leaving directory `/«PKGBUILDDIR»/source/test'
make[5]: Leaving directory `/«PKGBUILDDIR»/source/test'
make[4]: Leaving directory `/«PKGBUILDDIR»/source'
make[3]: Leaving directory `/«PKGBUILDDIR»/source'
Making check in basis
make[3]: Entering directory `/«PKGBUILDDIR»/basis'
make[3]: Nothing to be done for `check'.
make[3]: Leaving directory `/«PKGBUILDDIR»/basis'
Making check in params
make[3]: Entering directory `/«PKGBUILDDIR»/params'
make[3]: Nothing to be done for `check'.
make[3]: Leaving directory `/«PKGBUILDDIR»/params'
Making check in mol
make[3]: Entering directory `/«PKGBUILDDIR»/mol'
make[3]: Nothing to be done for `check'.
make[3]: Leaving directory `/«PKGBUILDDIR»/mol'
Making check in test
make[3]: Entering directory `/«PKGBUILDDIR»/test'
make check-TESTS
make[4]: Entering directory `/«PKGBUILDDIR»/test'
Testing H2 HF/6-311++Gss followed by TDHF electron dynamics
Inline main molecule with 2 atoms.
computed -1.132507430
reference -1.132507400
Energy OK
computed -0.000000010
reference 0.000000000
Dipole value at time 0 OK
computed -0.110392771
reference -0.108660000
Dipole value at time 14 OK
computed -0.137740590
reference -0.141730000
Dipole value at time 21 OK
computed -0.068456590
reference -0.085040000
Dipole value at time 28 OK
computed 0.347093635
reference 0.340160000
Dipole value at time 45 OK
computed 0.375979852
reference 0.373230000
Dipole value at time 49 OK
computed 0.318679243
reference 0.340160000
Dipole value at time 54 OK
computed -0.476241727
reference -0.477170000
Dipole value at time 75 OK
computed -0.494592325
reference -0.500790000
Dipole value at time 79 OK
computed -0.450316908
reference -0.462990000
Dipole value at time 83 OK
computed 0.467383468
reference 0.444090000
Dipole value at time 105 OK
computed 0.473974635
reference 0.477170000
Dipole value at time 107 OK
computed 0.462554057
reference 0.453540000
Dipole value at time 110 OK
computed 0.484315926
reference 0.481890000
Dipole value at time 114 OK
computed 0.434203010
reference 0.434650000
Dipole value at time 116 OK
TDHF-dynamics tests completed successfully!
PASS: test_tdhf_dynamics.sh
Testing H UHF STO-3G
computed -0.466581855
reference -0.466581900
OK
Testing H UHF 6-31G**
computed -0.498232518
reference -0.498232900
OK
Testing H2[+] UHF STO-3G
computed -0.538511301
reference -0.538511300
OK
Testing h2o HF 6-31G**
computed -76.022640894
reference -76.022643100
OK
Testing Be[-] UHF STO-2G
computed -13.662578151
reference -13.662579200
OK
Testing Be[-] UHF 6-31G*
computed -14.493898166
reference -14.493903900
OK
Low accuracy tests completed successfully!
PASS: test_lowacc.sh
Testing h2o B3LYP/6-31G** using g03-style B3LYP
computed -76.418054212
reference -76.418048700
OK
Testing cnof B3LYP/6-31G using g03-style B3LYP
computed -265.391322538
reference -265.391329000
OK
Testing nh3[+] UB3LYP/6-31G** using g03-style B3LYP
computed -56.163583557
reference -56.163575000
OK
computed 0.752351760
reference 0.752352000
OK
Hybrid DFT tests completed successfully!
PASS: test_dft_hybrid.sh
Testing cnof BLYP/STO-2G
computed -253.073104481
reference -253.073095400
OK
Testing h2o BLYP/6-31G**
computed -76.396253202
reference -76.396247000
OK
Testing cnof BLYP/6-31G
computed -265.352225112
reference -265.352229094
OK
Testing nh3[+] UBLYP/6-31G**
computed -56.138236791
reference -56.138227200
OK
computed 0.752002207
reference 0.752002000
OK
Pure DFT tests completed successfully!
PASS: test_dft_pure.sh
Testing twisted h2o BLYP/6-31G** with HiCu grid
computed -76.347433146
reference -76.347465600
OK
Testing H4 BHandHLYP/cc-pVDZ with HiCu grid
computed -0.261445007
reference -0.261429400
OK
Testing H2 BPW91/cc-pVTZ with HiCu grid
computed -0.704247412
reference -0.704259300
OK
Testing c2h8 LDA/4-31G with sparse XC and HiCu grid
computed -80.097355915
reference -80.097373423
OK
DFT HiCu grid tests completed successfully!
PASS: test_dft_hicu.sh
Testing c2h8 LDA/6-31G*
computed -80.097376765
reference -80.097373423
OK
Testing h2o BLYP/6-31G**
computed -76.396253202
reference -76.396247000
OK
Sparse DFT tests completed successfully!
PASS: test_dft_sparse.sh
Testing cnof BHANDHLYP/6-31G
computed -265.266735806
reference -265.266739400
Energy OK
computed 0.010086800
reference 0.010101500
Dipole X OK
computed -0.016956000
reference -0.016942400
Dipole Y OK
computed -0.503510800
reference -0.503515700
Dipole Z OK
computed -0.068199800
reference -0.068157000
Mulliken charge OK
computed 0.579865400
reference 0.579839000
Mulliken charge OK
computed -0.321492100
reference -0.321502000
Mulliken charge OK
computed -0.190173500
reference -0.190181000
Mulliken charge OK
Testing nh3-triplet BHANDHLYP/6-31G**
computed -56.244489193
reference -56.244485400
OK
computed 2.001894127
reference 2.001894000
OK
computed -0.069203000
reference -0.069211200
Dipole X OK
computed -0.106022800
reference -0.106011100
Dipole Y OK
computed -0.051484600
reference -0.051525700
Dipole Z OK
computed 0.087433500
reference 0.087443000
Mulliken charge OK
computed -0.029128500
reference -0.029146000
Mulliken charge OK
computed -0.029148900
reference -0.029148000
Mulliken charge OK
computed -0.029156100
reference -0.029149000
Mulliken charge OK
computed 0.744608500
reference 0.744599000
Mulliken spin density OK
computed 0.418440900
reference 0.418462000
Mulliken spin density OK
computed 0.418477100
reference 0.418473000
Mulliken spin density OK
computed 0.418473500
reference 0.418465000
Mulliken spin density OK
Dipole moment and Mulliken pop tests completed successfully!
PASS: test_dipole_moment.sh
Testing cnof HF/STO-3G, no field
computed -260.048429469
reference -260.048429600
OK
Testing cnof HF/STO-3G, field in X direction
computed -260.052282132
reference -260.052282300
OK
Testing cnof HF/STO-3G, field in Y direction
computed -260.044512598
reference -260.044512700
OK
Testing cnof HF/STO-3G, field in Z direction
computed -260.049829286
reference -260.049829400
OK
External electric field tests completed successfully!
PASS: test_ext_elec_field.sh
Testing four_h2o HF/6-31G using FMM
computed -303.760652168
reference -303.760652100
OK
Testing four_h2o HF/6-31G* using FMM
computed -303.835270364
reference -303.835270400
OK
FMM tests completed successfully!
PASS: test_fmm.sh
Testing four_h2o B3LYP/6-31G using FMM and g03-style B3LYP
computed -305.389363916
reference -305.389359800
OK
FMM B3LYP tests completed successfully!
PASS: test_fmm_b3lyp.sh
Testing four_h2o CAMB3LYP/6-31G using FMM
computed -305.279056048
reference -305.279060700
OK
Testing cnof CAMB3LYP/6-31G using FMM
computed -265.311289973
reference -265.311290620
OK
Testing h2o CAMB3LYP/cc-pVDZ using FMM
computed -76.391781792
reference -76.391777086
OK
FMM CAMB3LYP tests completed successfully!
PASS: test_fmm_camb3lyp.sh
Testing h2o HF/6-31G** with extra basis funcs from ghost molecule
computed -76.025973510
reference -76.025973506
OK
Ghost-molecule tests completed successfully!
PASS: test_ghost.sh
Testing h2 with bond distance 1 au, HF/STO-3G
computed -1.065999459
reference -1.065999500
OK
Testing h2o HF/6-31G**
computed -76.022643114
reference -76.022643100
OK
Testing h2o HF/6-31++G**
computed -76.030489134
reference -76.030489100
OK
Testing h2o HF/cc-pVTZ
computed -76.057163033
reference -76.057163000
OK
Testing cnof HF/6-31G
computed -264.054267894
reference -264.054268200
OK
Testing nh3[+] UHF/6-31G**
computed -55.854623576
reference -55.854623500
OK
computed 0.757013227
reference 0.757013000
OK
Hartree-Fock tests completed successfully!
PASS: test_hf.sh
Testing h2o HF/6-31G** with 6 d-functions
computed -76.023158691
reference -76.023158700
OK
Testing h2o HF/6-31++G** with 6 d-functions
computed -76.030771898
reference -76.030771900
OK
Testing nh3[+] UHF/6-31G** with 6 d-functions
computed -55.854792516
reference -55.854792400
OK
computed 0.757024841
reference 0.757025000
OK
6-d-function tests completed successfully!
PASS: test_6_d_funcs.sh
Testing h2o HF/6-31G** with matrix blocksize = 1
computed -76.022643114
reference -76.022643100
OK
Testing cnof HF/6-31G with matrix blocksize = 1
computed -264.054267894
reference -264.054268200
OK
Testing nh3[+] UHF/6-31G** with matrix blocksize = 1
computed -55.854623576
reference -55.854623500
OK
computed 0.757013227
reference 0.757013000
OK
Block size 1 tests completed successfully!
PASS: test_hf_blsz1.sh
Testing h2o HF/6-31G** with matrix blocksize = 2
computed -76.022643114
reference -76.022643100
OK
Testing cnof HF/6-31G with matrix blocksize = 2
computed -264.054267894
reference -264.054268200
OK
Testing nh3[+] UHF/6-31G** with matrix blocksize = 2
computed -55.854623576
reference -55.854623500
OK
computed 0.757013227
reference 0.757013000
OK
Block size 2 tests completed successfully!
PASS: test_hf_blsz2.sh
Testing h2o HF/Ahlrichs-VTZ with Fermi-Dirac smearing at T=20000K
computed -76.008385779
reference -76.008385440
OK
Testing cnof HF/6-31G with Fermi-Dirac smearing at T=20000K
computed -264.029586865
reference -264.029586180
OK
Hartree-Fock Fermi-Dirac T tests completed successfully!
PASS: test_hf_fd.sh
Testing CO PBE/6-31Gss
Inline main molecule with 2 atoms.
Step 1: ssize: 8 |r|= 0.203653 shift= 0.296593
Step 2: ssize: 16 |r|= 0.0429662 shift= 0.282297
Step 3: ssize: 24 |r|= 0.0082135 shift= 0.281877
Step 4: ssize: 32 |r|= 0.000828507 shift= 0.281849
Step 5: ssize: 40 |r|= 4.57534e-05 shift= 0.281849
Step 6: ssize: 48 |r|= 0.00043248 shift= 0.323975
Step 7: ssize: 50 |r|= 3.75786e-05 shift= 0.323975
STATE 1 TRANSITION MOMENT: -0.0596528 ENERGY 7.669318 eV
STATE 2 TRANSITION MOMENT: -0.481441 ENERGY 7.669318 eV
STATE 3 TRANSITION MOMENT: -5.9643e-15 ENERGY 8.420662 eV
STATE 4 TRANSITION MOMENT: 1.21931e-16 ENERGY 8.815585 eV
STATE 1 TRANSITION MOMENT: -0.481105 ENERGY 7.669318 eV
STATE 2 TRANSITION MOMENT: 0.056877 ENERGY 7.669318 eV
STATE 3 TRANSITION MOMENT: 5.83806e-16 ENERGY 8.420662 eV
STATE 4 TRANSITION MOMENT: -3.03563e-15 ENERGY 8.815585 eV
STATE 1 TRANSITION MOMENT: 1.715e-15 ENERGY 7.669318 eV
STATE 2 TRANSITION MOMENT: -9.81207e-17 ENERGY 7.669318 eV
STATE 3 TRANSITION MOMENT: 1.1407e-07 ENERGY 8.420662 eV
STATE 4 TRANSITION MOMENT: 5.24037e-07 ENERGY 8.815585 eV
Eigenvalue 1: 0.281848988 Tran.Mom.: 0.484789256
Eigenvalue 2: 0.281848988 Tran.Mom.: 0.484789256
Eigenvalue 3: 0.309461005 Tran.Mom.: 1.14070415e-07
Eigenvalue 4: 0.323974518 Tran.Mom.: 5.24037021e-07
computed -113.172411039
reference -113.172417359
Energy OK
computed 0.281848988
reference 0.281814700
Eigenvalue 1 OK
computed 0.281848988
reference 0.281814700
Eigenvalue 2 OK
computed 0.309461005
reference 0.309447904
Eigenvalue 3 OK
Pure TD-DFT tests completed successfully!
PASS: test_lr_exc.sh
Testing CNOF HF/STO-2G
Inline main molecule with 4 atoms.
Step 1: ssize: 8 |r|= 0.179368 shift= 0.131918
Step 2: ssize: 16 |r|= 0.044901 shift= 0.114581
Step 3: ssize: 24 |r|= 0.00853825 shift= 0.113678
Step 4: ssize: 32 |r|= 0.00237298 shift= 0.113642
Step 5: ssize: 40 |r|= 0.000390658 shift= 0.113641
Step 6: ssize: 48 |r|= 5.06271e-05 shift= 0.113641
Step 7: ssize: 56 |r|= 5.10004e-05 shift= 0.239561
Step 8: ssize: 62 |r|= 2.34438e-05 shift= 0.313192
Step 9: ssize: 66 |r|= 2.34496e-05 shift= 0.378067
STATE 1 TRANSITION MOMENT: 0.132348 ENERGY 3.092263 eV
STATE 2 TRANSITION MOMENT: 0.246215 ENERGY 6.518643 eV
STATE 3 TRANSITION MOMENT: -0.219893 ENERGY 8.522195 eV
STATE 4 TRANSITION MOMENT: 0.394737 ENERGY 10.287478 eV
STATE 1 TRANSITION MOMENT: -0.183985 ENERGY 3.092263 eV
STATE 2 TRANSITION MOMENT: 0.0709556 ENERGY 6.518643 eV
STATE 3 TRANSITION MOMENT: -0.144949 ENERGY 8.522195 eV
STATE 4 TRANSITION MOMENT: 0.0830352 ENERGY 10.287478 eV
STATE 1 TRANSITION MOMENT: 0.0275899 ENERGY 3.092263 eV
STATE 2 TRANSITION MOMENT: -0.110648 ENERGY 6.518643 eV
STATE 3 TRANSITION MOMENT: 0.213145 ENERGY 8.522195 eV
STATE 4 TRANSITION MOMENT: 0.42368 ENERGY 10.287478 eV
Eigenvalue 1: 0.113641288 Tran.Mom.: 0.228314985
Eigenvalue 2: 0.239561431 Tran.Mom.: 0.279104885
Eigenvalue 3: 0.313192384 Tran.Mom.: 0.338813081
Eigenvalue 4: 0.378066892 Tran.Mom.: 0.584993537
computed -252.028041451
reference -252.028041455
Energy OK
computed 0.113641288
reference 0.113641340
Eigenvalue 1 OK
computed 0.239561431
reference 0.239561530
Eigenvalue 2 OK
computed 0.313192384
reference 0.313192480
Eigenvalue 3 OK
TD-HF tests completed successfully!
PASS: test_lr_exc_hf.sh
Testing CO SVWN5/4-31G polarizability
Inline main molecule with 4 atoms.
Step 1: ssize: 2 |r|= 0.665646 shift= 0.000000
Step 2: ssize: 4 |r|= 0.0353372 shift= 0.000000
Step 3: ssize: 6 |r|= 0.00129968 shift= 0.000000
Step 4: ssize: 8 |r|= 9.22839e-05 shift= 0.000000
Response << X | X >> at freq 0.000000000: -7.877236203
Response << Y | X >> at freq 0.000000000: 2.241982782e-14
Response << Z | X >> at freq 0.000000000: 4.449556914e-14
Step 1: ssize: 2 |r|= 0.683934 shift= 0.000000
Step 2: ssize: 4 |r|= 0.188612 shift= 0.000000
Step 3: ssize: 6 |r|= 0.0206612 shift= 0.000000
Step 4: ssize: 8 |r|= 0.000508812 shift= 0.000000
Step 5: ssize: 10 |r|= 3.88773e-05 shift= 0.000000
Response << X | Y >> at freq 0.000000000: 8.437944425e-14
Response << Y | Y >> at freq 0.000000000: -7.936293526
Response << Z | Y >> at freq 0.000000000: 0.2016009547
Step 1: ssize: 2 |r|= 0.125831 shift= 0.000000
Step 2: ssize: 4 |r|= 0.0534551 shift= 0.000000
Step 3: ssize: 6 |r|= 0.00714745 shift= 0.000000
Step 4: ssize: 8 |r|= 0.000178387 shift= 0.000000
Step 5: ssize: 10 |r|= 2.50874e-05 shift= 0.000000
Response << X | Z >> at freq 0.000000000: 2.687136527e-12
Response << Y | Z >> at freq 0.000000000: 0.2016010497
Response << Z | Z >> at freq 0.000000000: -2.458870529
Step 1: ssize: 2 |r|= 1.05538 shift= 0.200000
Step 2: ssize: 4 |r|= 0.0871235 shift= 0.200000
Step 3: ssize: 6 |r|= 0.00750815 shift= 0.200000
Step 4: ssize: 8 |r|= 0.000760225 shift= 0.200000
Step 5: ssize: 10 |r|= 8.60762e-05 shift= 0.200000
Step 6: ssize: 12 |r|= 1.02508e-05 shift= 0.200000
Response << X | X >> at freq 0.200000000: -8.774082774
Response << Y | X >> at freq 0.200000000: -2.463486767e-13
Response << Z | X >> at freq 0.200000000: -8.556214051e-15
Step 1: ssize: 2 |r|= 1.12037 shift= 0.200000
Step 2: ssize: 4 |r|= 0.304967 shift= 0.200000
Step 3: ssize: 6 |r|= 0.0441749 shift= 0.200000
Step 4: ssize: 8 |r|= 0.00474827 shift= 0.200000
Step 5: ssize: 10 |r|= 0.00141248 shift= 0.200000
Step 6: ssize: 12 |r|= 0.000547612 shift= 0.200000
Step 7: ssize: 14 |r|= 7.72445e-05 shift= 0.200000
Response << X | Y >> at freq 0.200000000: -9.706516848e-14
Response << Y | Y >> at freq 0.200000000: -8.880467471
Response << Z | Y >> at freq 0.200000000: 0.2234719348
Step 1: ssize: 2 |r|= 1.70255 shift= 0.200000
Step 2: ssize: 4 |r|= 0.129137 shift= 0.200000
Step 3: ssize: 6 |r|= 0.030532 shift= 0.200000
Step 4: ssize: 8 |r|= 0.00885443 shift= 0.200000
Step 5: ssize: 10 |r|= 0.000751002 shift= 0.200000
Step 6: ssize: 12 |r|= 0.000214355 shift= 0.200000
Step 7: ssize: 14 |r|= 4.44382e-05 shift= 0.200000
Response << X | Z >> at freq 0.200000000: -9.010548904e-15
Response << Y | Z >> at freq 0.200000000: 0.2234696162
Response << Z | Z >> at freq 0.200000000: -2.849382703
computed -55.985633367
reference -55.985633009
Energy OK
Polarisability X X at frequency 0.0 OK
Polarisability Y X at frequency 0.0 OK
Polarisability Z X at frequency 0.0 OK
Polarisability X Y at frequency 0.0 OK
Polarisability Y Y at frequency 0.0 OK
Polarisability Z Y at frequency 0.0 OK
Polarisability X Z at frequency 0.0 OK
Polarisability Y Z at frequency 0.0 OK
Polarisability Z Z at frequency 0.0 OK
Polarisability X X at frequency 0.2 OK
Polarisability Y X at frequency 0.2 OK
Polarisability Z X at frequency 0.2 OK
Polarisability X Y at frequency 0.2 OK
Polarisability Y Y at frequency 0.2 OK
Polarisability Z Y at frequency 0.2 OK
Polarisability X Z at frequency 0.2 OK
Polarisability Y Z at frequency 0.2 OK
Polarisability Z Z at frequency 0.2 OK
Testing HF CAM-B3LYP/aug-cc-pVDZ polarizability
Inline main molecule with 2 atoms.
Step 1: ssize: 2 |r|= 0.773554 shift= 0.000000
Step 2: ssize: 4 |r|= 0.195947 shift= 0.000000
Step 3: ssize: 6 |r|= 0.0167043 shift= 0.000000
Step 4: ssize: 8 |r|= 0.00223267 shift= 0.000000
Step 5: ssize: 10 |r|= 0.000285376 shift= 0.000000
Step 6: ssize: 12 |r|= 1.62208e-05 shift= 0.000000
Response << X | X >> at freq 0.000000000: -4.458511951
Response << Y | X >> at freq 0.000000000: 2.300907986e-15
Response << Z | X >> at freq 0.000000000: -4.048204092e-15
Step 1: ssize: 2 |r|= 0.773554 shift= 0.000000
Step 2: ssize: 4 |r|= 0.195947 shift= 0.000000
Step 3: ssize: 6 |r|= 0.0167043 shift= 0.000000
Step 4: ssize: 8 |r|= 0.00223267 shift= 0.000000
Step 5: ssize: 10 |r|= 0.000285376 shift= 0.000000
Step 6: ssize: 12 |r|= 1.62208e-05 shift= 0.000000
Response << X | Y >> at freq 0.000000000: 3.586102102e-15
Response << Y | Y >> at freq 0.000000000: -4.458511951
Response << Z | Y >> at freq 0.000000000: 2.857647476e-13
Step 1: ssize: 2 |r|= 1.7161 shift= 0.000000
Step 2: ssize: 4 |r|= 0.476422 shift= 0.000000
Step 3: ssize: 6 |r|= 0.0973386 shift= 0.000000
Step 4: ssize: 8 |r|= 0.00800128 shift= 0.000000
Step 5: ssize: 10 |r|= 0.000902639 shift= 0.000000
Step 6: ssize: 12 |r|= 5.64239e-05 shift= 0.000000
Response << X | Z >> at freq 0.000000000: 3.517112429e-16
Response << Y | Z >> at freq 0.000000000: 1.01733683e-15
Response << Z | Z >> at freq 0.000000000: -6.444213289
Step 1: ssize: 2 |r|= 1.18922 shift= 0.100000
Step 2: ssize: 4 |r|= 0.2247 shift= 0.100000
Step 3: ssize: 6 |r|= 0.0201179 shift= 0.100000
Step 4: ssize: 8 |r|= 0.00200545 shift= 0.100000
Step 5: ssize: 10 |r|= 0.000281116 shift= 0.100000
Step 6: ssize: 12 |r|= 4.22725e-05 shift= 0.100000
Response << X | X >> at freq 0.100000000: -4.583028294
Response << Y | X >> at freq 0.100000000: -4.397256012e-15
Response << Z | X >> at freq 0.100000000: -2.767262889e-14
Step 1: ssize: 2 |r|= 1.18922 shift= 0.100000
Step 2: ssize: 4 |r|= 0.2247 shift= 0.100000
Step 3: ssize: 6 |r|= 0.0201179 shift= 0.100000
Step 4: ssize: 8 |r|= 0.00200545 shift= 0.100000
Step 5: ssize: 10 |r|= 0.000281116 shift= 0.100000
Step 6: ssize: 12 |r|= 4.22725e-05 shift= 0.100000
Response << X | Y >> at freq 0.100000000: -4.419551557e-15
Response << Y | Y >> at freq 0.100000000: -4.583028294
Response << Z | Y >> at freq 0.100000000: -9.094285146e-14
Step 1: ssize: 2 |r|= 2.01393 shift= 0.100000
Step 2: ssize: 4 |r|= 0.346064 shift= 0.100000
Step 3: ssize: 6 |r|= 0.0285336 shift= 0.100000
Step 4: ssize: 8 |r|= 0.00521687 shift= 0.100000
Step 5: ssize: 10 |r|= 0.000647897 shift= 0.100000
Step 6: ssize: 12 |r|= 7.11544e-05 shift= 0.100000
Response << X | Z >> at freq 0.100000000: 5.812517422e-16
Response << Y | Z >> at freq 0.100000000: 4.223136352e-16
Response << Z | Z >> at freq 0.100000000: -6.584667899
computed -100.435402198
reference -100.435400640
Energy OK
Polarisability X X at frequency 0.000000000 OK
Polarisability Y X at frequency 0.000000000 OK
Polarisability Z X at frequency 0.000000000 OK
Polarisability X Y at frequency 0.000000000 OK
Polarisability Y Y at frequency 0.000000000 OK
Polarisability Z Y at frequency 0.000000000 OK
Polarisability X Z at frequency 0.000000000 OK
Polarisability Y Z at frequency 0.000000000 OK
Polarisability Z Z at frequency 0.000000000 OK
Polarisability X X at frequency 0.100000000 OK
Polarisability Y X at frequency 0.100000000 OK
Polarisability Z X at frequency 0.100000000 OK
Polarisability X Y at frequency 0.100000000 OK
Polarisability Y Y at frequency 0.100000000 OK
Polarisability Z Y at frequency 0.100000000 OK
Polarisability X Z at frequency 0.100000000 OK
Polarisability Y Z at frequency 0.100000000 OK
Polarisability Z Z at frequency 0.100000000 OK
LR polarizability tests completed successfully!
PASS: test_lr_pol.sh
Testing three h2o with HF and mixed basis 6-31G 6-31G* 6-31G**
Inline main molecule with 9 atoms.
Assigning range MAIN 0 [0:2] = 6-31G
Assigning range MAIN 1 [3:5] = 6-31Gs
computed -228.016771306
reference -228.016771000
OK
Mixed basis set tests completed successfully!
PASS: test_mixedbasis.sh
Testing Li ROHF 3-21G
computed -7.381510983
reference -7.381510983
OK
Testing O2 SVWN5/6-31Gss
computed -149.250773842
reference -149.250773843
OK
Testing H2O[+] B3LYP/6-31Gss
computed -75.860561653
reference -75.860561961
OK
Restricted Open-shell tests completed successfully!
PASS: test_roks.sh
Testing H UHF STO-3G
computed -0.466581855
reference -0.466581900
OK
Testing H UHF 6-31G**
computed -0.498232911
reference -0.498232900
OK
Testing H2[+] UHF STO-3G
computed -0.538511345
reference -0.538511300
OK
Testing Be[-] UHF STO-2G
computed -13.662578159
reference -13.662579200
OK
Testing Be[-] UHF 6-31G*
computed -14.493903834
reference -14.493903900
OK
computed 0.752685357
reference 0.752685000
OK
Unrestricted Hartree-Fock tests completed successfully!
PASS: test_uhf.sh
Testing h2 FCI 6-31G**
computed -0.033869092
reference -0.033870000
OK
Testing h2o FCI STO-3G
computed -75.012425819
reference -75.012425800
OK
Testing h2o[+] FCI STO-3G
computed -74.694771329
reference -74.694771300
OK
Configuration Interaction [CI] tests completed successfully!
PASS: test_ci.sh
===================
All 24 tests passed
===================
make[4]: Leaving directory `/«PKGBUILDDIR»/test'
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Making check in documentation/source
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fakeroot debian/rules binary-arch
dh binary-arch
dh_testroot -a
dh_prep -a
dh_installdirs -a
dh_auto_install -a
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Making install in source
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Making install in basisset
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Making install in template_lapack
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Making install in blas
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/bin/mkdir -p '/«PKGBUILDDIR»/debian/ergo/usr/bin'
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dpkg-deb: building package `ergo' in `../ergo_3.2.1-1_armhf.deb'.
dpkg-genchanges -B -mRaspbian nitrogen6x test autobuilder <root@raspbian.org> >../ergo_3.2.1-1_armhf.changes
dpkg-genchanges: arch-specific upload - not including arch-independent packages
dpkg-genchanges: binary-only upload - not including any source code
dpkg-source --after-build ergo-3.2.1
dpkg-buildpackage: binary only upload (no source included)
────────────────────────────────────────────────────────────────────────────────
Build finished at 20130622-2111
Finished
────────
I: Built successfully
┌──────────────────────────────────────────────────────────────────────────────┐
│ Changes │
└──────────────────────────────────────────────────────────────────────────────┘
ergo_3.2.1-1_armhf.changes:
───────────────────────────
Format: 1.8
Date: Sun, 28 Apr 2013 23:50:49 +0200
Source: ergo
Binary: ergo
Architecture: armhf
Version: 3.2.1-1
Distribution: jessie-staging
Urgency: low
Maintainer: Raspbian nitrogen6x test autobuilder <root@raspbian.org>
Changed-By: Michael Banck <mbanck@debian.org>
Description:
ergo - Quantum chemistry program for large-scale calculations
Closes: 701932
Changes:
ergo (3.2.1-1) unstable; urgency=low
.
* Initial release (Closes: #701932).
Checksums-Sha1:
7e3794baa14a0ae9aebf45877f4b6f2f5b7800c1 1905156 ergo_3.2.1-1_armhf.deb
Checksums-Sha256:
66cd277e210c2a61799f1f027cc83418e8c251ab656da0c800fc19dfcb1d84b4 1905156 ergo_3.2.1-1_armhf.deb
Files:
edc28aa7ec3248b4edbce861ea31bfc0 1905156 science optional ergo_3.2.1-1_armhf.deb
┌──────────────────────────────────────────────────────────────────────────────┐
│ Package contents │
└──────────────────────────────────────────────────────────────────────────────┘
ergo_3.2.1-1_armhf.deb
──────────────────────
new debian package, version 2.0.
size 1905156 bytes: control archive=4235 bytes.
1537 bytes, 31 lines control
7840 bytes, 119 lines md5sums
Package: ergo
Version: 3.2.1-1
Architecture: armhf
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 7584
Depends: libblas3 | libblas.so.3 | libatlas3-base, libc6 (>= 2.7), libgcc1 (>= 1:4.4.0), liblapack3 | liblapack.so.3 | libatlas3-base, libstdc++6 (>= 4.6)
Section: science
Priority: optional
Homepage: http://ergoscf.org/
Description: Quantum chemistry program for large-scale calculations
ErgoSCF is a quantum chemistry program for large-scale self-consistent field
calculations. It employs modern linear scaling techniques like fast multipole
methods, hierarchic sparse matrix algebra, density matrix purification, and
efficient integral screening. Linear scaling is achieved not only in terms of
CPU usage but also memory utilization. It uses Gaussian basis sets.
.
It can compute single-point energies for the following methods:
* Restricted and unrestricted Hartree-Fock (HF) theory
* Restricted and unrestricted Kohn-Sham density functional theory (DFT)
* Full Configuration-Interaction (FCI)
.
The following Exchange-Correlational (XC) density functionals are included:
* Local Density Approximation (LDA)
* Gradient-corrected (GGA) XC functionals BLYP, BP86, PW91 and PBE
* Hybrid XC functionals B3LYP, BHandHLYP, PBE0 and CAMB3LYP
.
Further features include:
* Linear response calculations (polarizabilities and excitation energies) for
restricted reference densities
* External electric fields
* Electron dynamics via Time-Dependent Hartree-Fock (TDHF)
drwxr-xr-x root/root 0 2013-06-22 21:10 ./
drwxr-xr-x root/root 0 2013-06-22 21:10 ./usr/
drwxr-xr-x root/root 0 2013-06-22 21:11 ./usr/bin/
-rwxr-xr-x root/root 2228904 2013-06-22 21:11 ./usr/bin/ergo
-rwxr-xr-x root/root 51260 2013-06-22 21:11 ./usr/bin/bin2m
drwxr-xr-x root/root 0 2013-06-22 21:10 ./usr/share/
drwxr-xr-x root/root 0 2013-06-22 21:10 ./usr/share/ergo/
drwxr-xr-x root/root 0 2013-06-22 21:10 ./usr/share/ergo/basis/
-rw-r--r-- root/root 93740 2013-06-22 21:10 ./usr/share/ergo/basis/hybrid-guess-basis
-rw-r--r-- root/root 94023 2013-06-22 21:10 ./usr/share/ergo/basis/3-21G
-rw-r--r-- root/root 20109 2013-06-22 21:10 ./usr/share/ergo/basis/3-21++G
-rw-r--r-- root/root 10810 2013-06-22 21:10 ./usr/share/ergo/basis/4-31G
-rw-r--r-- root/root 32912 2013-06-22 21:10 ./usr/share/ergo/basis/6-311G
-rw-r--r-- root/root 29950 2013-06-22 21:10 ./usr/share/ergo/basis/6-31G
-rw-r--r-- root/root 46244 2013-06-22 21:10 ./usr/share/ergo/basis/6-31Gs
-rw-r--r-- root/root 35511 2013-06-22 21:10 ./usr/share/ergo/basis/6-31Gss
-rw-r--r-- root/root 28837 2013-06-22 21:10 ./usr/share/ergo/basis/6-31+G
-rw-r--r-- root/root 28980 2013-06-22 21:10 ./usr/share/ergo/basis/6-31++G
-rw-r--r-- root/root 31057 2013-06-22 21:10 ./usr/share/ergo/basis/6-31++Gs
-rw-r--r-- root/root 31180 2013-06-22 21:10 ./usr/share/ergo/basis/6-31++Gss
-rw-r--r-- root/root 15287 2013-06-22 21:10 ./usr/share/ergo/basis/6-311++Gss
-rw-r--r-- root/root 29912 2013-06-22 21:10 ./usr/share/ergo/basis/6-31Gfixed
-rw-r--r-- root/root 121897 2013-06-22 21:10 ./usr/share/ergo/basis/Ahlrichs-Coulomb-Fit
-rw-r--r-- root/root 19880 2013-06-22 21:10 ./usr/share/ergo/basis/AhlrichsDenFit
-rw-r--r-- root/root 55415 2013-06-22 21:10 ./usr/share/ergo/basis/Ahlrichs-pVDZ
-rw-r--r-- root/root 70764 2013-06-22 21:10 ./usr/share/ergo/basis/Ahlrichs-TZV
-rw-r--r-- root/root 43535 2013-06-22 21:10 ./usr/share/ergo/basis/AhlrichsVDZ
-rw-r--r-- root/root 43541 2013-06-22 21:10 ./usr/share/ergo/basis/Ahlrichs-VDZ
-rw-r--r-- root/root 56797 2013-06-22 21:10 ./usr/share/ergo/basis/AhlrichsVTZ
-rw-r--r-- root/root 57049 2013-06-22 21:10 ./usr/share/ergo/basis/Ahlrichs-VTZ
-rw-r--r-- root/root 19464 2013-06-22 21:10 ./usr/share/ergo/basis/Almlof-Taylor-ANO
-rw-r--r-- root/root 39634 2013-06-22 21:10 ./usr/share/ergo/basis/ano-1
-rw-r--r-- root/root 36740 2013-06-22 21:10 ./usr/share/ergo/basis/ano-2
-rw-r--r-- root/root 68919 2013-06-22 21:10 ./usr/share/ergo/basis/ano-3
-rw-r--r-- root/root 108711 2013-06-22 21:10 ./usr/share/ergo/basis/ano-4
-rw-r--r-- root/root 456735 2013-06-22 21:10 ./usr/share/ergo/basis/ano-5
-rw-r--r-- root/root 39681 2013-06-22 21:10 ./usr/share/ergo/basis/aug-cc-pCV5Z
-rw-r--r-- root/root 25568 2013-06-22 21:10 ./usr/share/ergo/basis/aug-cc-pCVDZ
-rw-r--r-- root/root 69048 2013-06-22 21:10 ./usr/share/ergo/basis/aug-cc-pCVQZ
-rw-r--r-- root/root 44986 2013-06-22 21:10 ./usr/share/ergo/basis/aug-cc-pCVTZ
-rw-r--r-- root/root 14575 2013-06-22 21:10 ./usr/share/ergo/basis/aug-cc-pCVTZ-CTOCD-uc
-rw-r--r-- root/root 102429 2013-06-22 21:10 ./usr/share/ergo/basis/aug-cc-pV5Z
-rw-r--r-- root/root 74924 2013-06-22 21:10 ./usr/share/ergo/basis/aug-cc-pV6Z
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-rw-r--r-- root/root 75775 2013-06-22 21:10 ./usr/share/ergo/basis/aug-cc-pVQZ
-rw-r--r-- root/root 56070 2013-06-22 21:10 ./usr/share/ergo/basis/aug-cc-pVTZ
-rw-r--r-- root/root 18820 2013-06-22 21:10 ./usr/share/ergo/basis/aug-cc-pVTZ-J
-rw-r--r-- root/root 40456 2013-06-22 21:10 ./usr/share/ergo/basis/aug-pV7Z
-rw-r--r-- root/root 37842 2013-06-22 21:10 ./usr/share/ergo/basis/cc-pCV5Z
-rw-r--r-- root/root 24093 2013-06-22 21:10 ./usr/share/ergo/basis/cc-pCVDZ
-rw-r--r-- root/root 66709 2013-06-22 21:10 ./usr/share/ergo/basis/cc-pCVQZ
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-rw-r--r-- root/root 24878 2013-06-22 21:10 ./usr/share/ergo/basis/cc-pV(5+d)Z
-rw-r--r-- root/root 89620 2013-06-22 21:10 ./usr/share/ergo/basis/cc-pV5Z
-rw-r--r-- root/root 13906 2013-06-22 21:10 ./usr/share/ergo/basis/cc-pV5Zdenfit
-rw-r--r-- root/root 83216 2013-06-22 21:10 ./usr/share/ergo/basis/cc-pV5Z-DK
-rw-r--r-- root/root 32047 2013-06-22 21:10 ./usr/share/ergo/basis/cc-pV(6+d)Z
-rw-r--r-- root/root 58754 2013-06-22 21:10 ./usr/share/ergo/basis/cc-pV6Z
-rw-r--r-- root/root 9154 2013-06-22 21:10 ./usr/share/ergo/basis/cc-pV(D+d)Z
-rw-r--r-- root/root 30292 2013-06-22 21:10 ./usr/share/ergo/basis/cc-pVDZ
-rw-r--r-- root/root 28512 2013-06-22 21:10 ./usr/share/ergo/basis/cc-pVDZ-DK
-rw-r--r-- root/root 17637 2013-06-22 21:10 ./usr/share/ergo/basis/cc-pV(Q+d)Z
-rw-r--r-- root/root 54144 2013-06-22 21:10 ./usr/share/ergo/basis/cc-pVQZ
-rw-r--r-- root/root 12251 2013-06-22 21:10 ./usr/share/ergo/basis/cc-pVQZdenfit
-rw-r--r-- root/root 59538 2013-06-22 21:10 ./usr/share/ergo/basis/cc-pVQZ-DK
-rw-r--r-- root/root 13179 2013-06-22 21:10 ./usr/share/ergo/basis/cc-pV(T+d)Z
-rw-r--r-- root/root 21715 2013-06-22 21:10 ./usr/share/ergo/basis/cc-pVTZ
-rw-r--r-- root/root 11015 2013-06-22 21:10 ./usr/share/ergo/basis/cc-pVTZdenfit
-rw-r--r-- root/root 42739 2013-06-22 21:10 ./usr/share/ergo/basis/cc-pVTZ-DK
-rw-r--r-- root/root 79293 2013-06-22 21:10 ./usr/share/ergo/basis/cc-pwCV5Z
-rw-r--r-- root/root 20554 2013-06-22 21:10 ./usr/share/ergo/basis/cc-pwCVDZ
-rw-r--r-- root/root 55690 2013-06-22 21:10 ./usr/share/ergo/basis/cc-pwCVQZ
-rw-r--r-- root/root 34720 2013-06-22 21:10 ./usr/share/ergo/basis/cc-pwCVTZ
-rw-r--r-- root/root 14695 2013-06-22 21:10 ./usr/share/ergo/basis/DunningDZ
-rw-r--r-- root/root 9940 2013-06-22 21:10 ./usr/share/ergo/basis/DunningTZ
-rw-r--r-- root/root 52056 2013-06-22 21:10 ./usr/share/ergo/basis/ECP
-rw-r--r-- root/root 65122 2013-06-22 21:10 ./usr/share/ergo/basis/ECP_pseudo
-rw-r--r-- root/root 56038 2013-06-22 21:10 ./usr/share/ergo/basis/ecp-sdd-DZ
-rw-r--r-- root/root 65122 2013-06-22 21:10 ./usr/share/ergo/basis/ecp-sdd-pseudo
-rw-r--r-- root/root 10807 2013-06-22 21:10 ./usr/share/ergo/basis/GAMESS-PVTZ
-rw-r--r-- root/root 25851 2013-06-22 21:10 ./usr/share/ergo/basis/GAMESS-VTZ
-rw-r--r-- root/root 65837 2013-06-22 21:10 ./usr/share/ergo/basis/Huckel
-rw-r--r-- root/root 9390 2013-06-22 21:10 ./usr/share/ergo/basis/Huz-II
-rw-r--r-- root/root 14157 2013-06-22 21:10 ./usr/share/ergo/basis/Huz-III
-rw-r--r-- root/root 25724 2013-06-22 21:10 ./usr/share/ergo/basis/Huz-IIIsu3
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-rw-r--r-- root/root 32067 2013-06-22 21:10 ./usr/share/ergo/basis/Huz-IVsu4
-rw-r--r-- root/root 19214 2013-06-22 21:10 ./usr/share/ergo/basis/japrtano
-rw-r--r-- root/root 16076 2013-06-22 21:10 ./usr/share/ergo/basis/McLean-Chandler-VTZ
-rw-r--r-- root/root 4058 2013-06-22 21:10 ./usr/share/ergo/basis/MIDI
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-rw-r--r-- root/root 14666 2013-06-22 21:10 ./usr/share/ergo/basis/pV6Z
-rw-r--r-- root/root 31831 2013-06-22 21:10 ./usr/share/ergo/basis/pV7Z
-rw-r--r-- root/root 96383 2013-06-22 21:10 ./usr/share/ergo/basis/raf-r
-rw-r--r-- root/root 17443 2013-06-22 21:10 ./usr/share/ergo/basis/RoosAugDZANO
-rw-r--r-- root/root 14130 2013-06-22 21:10 ./usr/share/ergo/basis/sad-J
-rw-r--r-- root/root 73715 2013-06-22 21:10 ./usr/share/ergo/basis/sadlej
-rw-r--r-- root/root 74338 2013-06-22 21:10 ./usr/share/ergo/basis/Sadlej-pVTZ
-rw-r--r-- root/root 14236 2013-06-22 21:10 ./usr/share/ergo/basis/Sadlej-pVTZ-J
-rw-r--r-- root/root 4553 2013-06-22 21:10 ./usr/share/ergo/basis/STO-1G
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drwxr-xr-x root/root 0 2013-06-22 21:10 ./usr/share/doc/
drwxr-xr-x root/root 0 2013-06-22 21:11 ./usr/share/doc/ergo/
-rw-r--r-- root/root 1109 2012-02-29 13:43 ./usr/share/doc/ergo/ergo_release_notes_3_1.txt
-rw-r--r-- root/root 291 2012-11-21 07:46 ./usr/share/doc/ergo/ergo_release_notes_3_2_1.txt
-rw-r--r-- root/root 301 2012-07-05 10:23 ./usr/share/doc/ergo/ergo_release_notes_3_2.txt
-rw-r--r-- root/root 1272 2013-02-24 13:38 ./usr/share/doc/ergo/copyright
-rw-r--r-- root/root 154 2013-04-28 21:50 ./usr/share/doc/ergo/changelog.Debian.gz
-rw-r--r-- root/root 747 2012-02-29 13:43 ./usr/share/doc/ergo/changelog.gz
┌──────────────────────────────────────────────────────────────────────────────┐
│ Post Build │
└──────────────────────────────────────────────────────────────────────────────┘
┌──────────────────────────────────────────────────────────────────────────────┐
│ Cleanup │
└──────────────────────────────────────────────────────────────────────────────┘
Purging /«BUILDDIR»
Not cleaning session: cloned chroot in use
┌──────────────────────────────────────────────────────────────────────────────┐
│ Summary │
└──────────────────────────────────────────────────────────────────────────────┘
Build Architecture: armhf
Build-Space: 182348
Build-Time: 6012
Distribution: jessie-staging
Host Architecture: armhf
Install-Time: 150
Job: ergo_3.2.1-1
Machine Architecture: armhf
Package: ergo
Package-Time: 6221
Source-Version: 3.2.1-1
Space: 182348
Status: successful
Version: 3.2.1-1
────────────────────────────────────────────────────────────────────────────────
Finished at 20130622-2111
Build needed 01:43:41, 182348k disc space