Start: 2022-11-15 12:01:09 GMT [jessie] Package: nwchem Version: 6.5+r26243-4 Installed-Size: 65331 Maintainer: Debichem Team Architecture: amd64 Depends: mpi-default-bin, nwchem-data (= 6.5+r26243-4), libc6 (>= 2.16), libgcc1 (>= 1:4.1.1), libgfortran3 (>= 4.6), libopenmpi1.6, libpython2.7 (>= 2.7), libquadmath0 (>= 4.6), zlib1g (>= 1:1.2.0) Description: High-performance computational chemistry software Homepage: http://www.nwchem-sw.org Description-md5: 0725f49597df8feadaf02ebba3676ac2 Tag: field::chemistry, role::program Section: science Priority: optional Filename: pool/main/n/nwchem/nwchem_6.5+r26243-4_amd64.deb Size: 10930508 MD5sum: 599d1b3009e65f69d26f22a4e4bd8bab SHA1: bd76e58ea0d1b4f0a7641c766156b72330f1ec0e SHA256: 7cb2b22591cd94c07e8a54040cabdc090f25a7dcfd31e21b6eca6a35fdf5a510 [jessie-lts] Package: nwchem Version: 6.5+r26243-4 Installed-Size: 65331 Maintainer: Debichem Team Architecture: amd64 Depends: mpi-default-bin, nwchem-data (= 6.5+r26243-4), libc6 (>= 2.16), libgcc1 (>= 1:4.1.1), libgfortran3 (>= 4.6), libopenmpi1.6, libpython2.7 (>= 2.7), libquadmath0 (>= 4.6), zlib1g (>= 1:1.2.0) Description: High-performance computational chemistry software Homepage: http://www.nwchem-sw.org Description-md5: 0725f49597df8feadaf02ebba3676ac2 Tag: field::chemistry, role::program Section: science Priority: optional Filename: pool/main/n/nwchem/nwchem_6.5+r26243-4_amd64.deb Size: 10930508 MD5sum: 599d1b3009e65f69d26f22a4e4bd8bab SHA1: bd76e58ea0d1b4f0a7641c766156b72330f1ec0e SHA256: 7cb2b22591cd94c07e8a54040cabdc090f25a7dcfd31e21b6eca6a35fdf5a510 Executing: sudo env PYTHONPATH=/srv/piuparts.debian.org/lib/python3/dist-packages timeout -s INT -k 5m 80m /srv/piuparts.debian.org/sbin/piuparts --scriptsdir /etc/piuparts/scripts --no-eatmydata --allow-database --warn-on-leftovers-after-purge --scriptsdir /etc/piuparts/scripts-jessie --skip-logrotatefiles-test --warn-on-debsums-errors --warn-on-install-over-symlink --mirror 'http://deb.debian.org/debian/ main' --tmpdir /srv/piuparts.debian.org/tmp --arch amd64 -b /srv/piuparts.debian.org/slave/basetgz/jessie_amd64.tar.gz -d jessie -d jessie-lts -B /srv/piuparts.debian.org/slave/refchroot/jessie2lts/reference-chroot-metadata.dat --apt nwchem=6.5+r26243-4 0m0.0s INFO: ------------------------------------------------------------------------------ 0m0.0s INFO: To quickly glance what went wrong, scroll down to the bottom of this logfile. 0m0.0s INFO: FAQ available at https://wiki.debian.org/piuparts/FAQ 0m0.0s INFO: The FAQ also explains how to contact us in case you think piuparts is wrong. 0m0.0s INFO: ------------------------------------------------------------------------------ 0m0.0s INFO: piuparts version 1.1.5 starting up. 0m0.0s INFO: Command line arguments: /srv/piuparts.debian.org/sbin/piuparts --scriptsdir /etc/piuparts/scripts --no-eatmydata --allow-database --warn-on-leftovers-after-purge --scriptsdir /etc/piuparts/scripts-jessie --skip-logrotatefiles-test --warn-on-debsums-errors --warn-on-install-over-symlink --mirror 'http://deb.debian.org/debian/ main' --tmpdir /srv/piuparts.debian.org/tmp --arch amd64 -b /srv/piuparts.debian.org/slave/basetgz/jessie_amd64.tar.gz -d jessie -d jessie-lts -B /srv/piuparts.debian.org/slave/refchroot/jessie2lts/reference-chroot-metadata.dat --apt nwchem=6.5+r26243-4 0m0.0s INFO: Running on: Linux piu-slave-conova-01 5.10.0-19-amd64 #1 SMP Debian 5.10.149-2 (2022-10-21) x86_64 0m0.0s DEBUG: Created temporary directory /srv/piuparts.debian.org/tmp/tmph8t9uhpi 0m0.0s DEBUG: Unpacking /srv/piuparts.debian.org/slave/basetgz/jessie_amd64.tar.gz into /srv/piuparts.debian.org/tmp/tmph8t9uhpi 0m0.0s DEBUG: Starting command: ['tar', '-C', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', '-zxf', '/srv/piuparts.debian.org/slave/basetgz/jessie_amd64.tar.gz'] 0m1.5s DEBUG: Command ok: ['tar', '-C', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', '-zxf', '/srv/piuparts.debian.org/slave/basetgz/jessie_amd64.tar.gz'] 0m1.5s DEBUG: Starting command: ['mount', '-t', 'proc', 'proc', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi/proc'] 0m1.6s DEBUG: Command ok: ['mount', '-t', 'proc', 'proc', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi/proc'] 0m1.6s DEBUG: Starting command: ['mount', '-t', 'devpts', '-o', 'newinstance,noexec,nosuid,gid=5,mode=0620,ptmxmode=0666', 'devpts', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi/dev/pts'] 0m1.6s DEBUG: Command ok: ['mount', '-t', 'devpts', '-o', 'newinstance,noexec,nosuid,gid=5,mode=0620,ptmxmode=0666', 'devpts', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi/dev/pts'] 0m1.6s DEBUG: Starting command: ['mount', '-o', 'bind', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi/dev/pts/ptmx', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi/dev/ptmx'] 0m1.6s DEBUG: Command ok: ['mount', '-o', 'bind', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi/dev/pts/ptmx', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi/dev/ptmx'] 0m1.6s DEBUG: Starting command: ['mount', '-o', 'bind', '/dev/pts/4', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi/dev/console'] 0m1.6s DEBUG: Command ok: ['mount', '-o', 'bind', '/dev/pts/4', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi/dev/console'] 0m1.6s DEBUG: Starting command: ['mount', '-t', 'tmpfs', '-o', 'size=65536k', 'tmpfs', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi/dev/shm'] 0m1.6s DEBUG: Command ok: ['mount', '-t', 'tmpfs', '-o', 'size=65536k', 'tmpfs', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi/dev/shm'] 0m1.6s DEBUG: sources.list: deb http://deb.debian.org/debian/ jessie main 0m1.6s DEBUG: Created policy-rc.d and chmodded it. 0m1.6s DEBUG: Created resolv.conf. 0m1.6s DEBUG: Copying scriptsdir /etc/piuparts/scripts to /srv/piuparts.debian.org/tmp/tmph8t9uhpi/tmp/scripts/ 0m1.6s DEBUG: Copying scriptsdir /etc/piuparts/scripts-jessie to /srv/piuparts.debian.org/tmp/tmph8t9uhpi/tmp/scripts/ 0m1.6s INFO: Running scripts post_chroot_unpack 0m1.6s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_chroot_unpack_allow_unauthenticated'] 0m1.6s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_chroot_unpack_allow_unauthenticated'] 0m1.6s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-get', 'update'] 0m3.2s DUMP: Ign http://deb.debian.org jessie InRelease Hit http://deb.debian.org jessie Release.gpg Hit http://deb.debian.org jessie Release Hit http://deb.debian.org jessie/main amd64 Packages Hit http://deb.debian.org jessie/main Translation-en Reading package lists... 0m3.2s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-get', 'update'] 0m3.2s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-get', '-yf', 'dist-upgrade'] 0m3.4s DUMP: Reading package lists... Building dependency tree... 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 0m3.4s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-get', '-yf', 'dist-upgrade'] 0m3.4s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'sh', '-c', 'apt-cache dumpavail | md5sum'] 0m3.5s DUMP: c58dd1ad19dd97acb5ff8b7cd65de431 - 0m3.5s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'sh', '-c', 'apt-cache dumpavail | md5sum'] 0m3.5s INFO: Running scripts post_setup 0m3.5s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_setup_dummy_users'] 0m4.2s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_setup_dummy_users'] 0m4.2s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_setup_forbid_home'] 0m4.3s DUMP: Disabling /home Adding 'local diversion of /home to /home.distrib' 0m4.3s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_setup_forbid_home'] 0m4.3s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_setup_force-unsafe-io'] 0m4.3s DUMP: Enabling dpkg --force-unsafe-io. Adding 'local diversion of /bin/sync to /bin/sync.distrib' '/bin/sync' -> 'true' 0m4.3s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_setup_force-unsafe-io'] 0m4.3s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_setup_jessie-fake-essential'] 0m4.8s DUMP: *** Adding fake essential packages *** Reading package lists... Building dependency tree... The following NEW packages will be installed: init-system-helpers ucf 0 upgraded, 2 newly installed, 0 to remove and 0 not upgraded. Need to get 83.7 kB of archives. After this operation, 334 kB of additional disk space will be used. Get:1 http://deb.debian.org/debian/ jessie/main init-system-helpers all 1.22 [14.0 kB] Get:2 http://deb.debian.org/debian/ jessie/main ucf all 3.0030 [69.7 kB] debconf: delaying package configuration, since apt-utils is not installed Fetched 83.7 kB in 0s (3072 kB/s) Selecting previously unselected package init-system-helpers. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 7449 files and directories currently installed.) Preparing to unpack .../init-system-helpers_1.22_all.deb ... Unpacking init-system-helpers (1.22) ... Selecting previously unselected package ucf. Preparing to unpack .../archives/ucf_3.0030_all.deb ... Moving old data out of the way Unpacking ucf (3.0030) ... Setting up init-system-helpers (1.22) ... Setting up ucf (3.0030) ... 0m4.8s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_setup_jessie-fake-essential'] 0m4.8s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_setup_minimize'] 0m4.8s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_setup_minimize'] 0m4.8s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_setup_squeeze-backports'] 0m4.8s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_setup_squeeze-backports'] 0m4.8s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_setup_zz_backports'] 0m4.8s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_setup_zz_backports'] 0m4.8s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'dpkg-query', '-W', '-f', '${Status}\\t${binary:Package}\\t${Package}\\t${Version}\\n'] 0m4.8s DUMP: install ok installed acl acl 2.2.52-2 install ok installed adduser adduser 3.113+nmu3 install ok installed apt apt 1.0.9.8.4 install ok installed base-files base-files 8+deb8u11 install ok installed base-passwd base-passwd 3.5.37 install ok installed bash bash 4.3-11+deb8u1 install ok installed bsdutils bsdutils 1:2.25.2-6 install ok installed coreutils coreutils 8.23-4 install ok installed dash dash 0.5.7-4+b1 install ok installed debconf debconf 1.5.56+deb8u1 install ok installed debconf-i18n debconf-i18n 1.5.56+deb8u1 install ok installed debian-archive-keyring debian-archive-keyring 2017.5~deb8u1 install ok installed debianutils debianutils 4.4+b1 install ok installed diffutils diffutils 1:3.3-1+b1 install ok installed dmsetup dmsetup 2:1.02.90-2.2+deb8u1 install ok installed dpkg dpkg 1.17.27 install ok installed e2fslibs:amd64 e2fslibs 1.42.12-2+b1 install ok installed e2fsprogs e2fsprogs 1.42.12-2+b1 install ok installed findutils findutils 4.4.2-9+b1 install ok installed gcc-4.9-base:amd64 gcc-4.9-base 4.9.2-10+deb8u1 install ok installed gnupg gnupg 1.4.18-7+deb8u5 install ok installed gpgv gpgv 1.4.18-7+deb8u5 install ok installed grep grep 2.20-4.1 install ok installed gzip gzip 1.6-4 install ok installed hostname hostname 3.15 install ok installed init init 1.22 install ok installed init-system-helpers init-system-helpers 1.22 install ok installed initscripts initscripts 2.88dsf-59 install ok installed insserv insserv 1.14.0-5 install ok installed libacl1:amd64 libacl1 2.2.52-2 install ok installed libapt-pkg4.12:amd64 libapt-pkg4.12 1.0.9.8.4 install ok installed libattr1:amd64 libattr1 1:2.4.47-2 install ok installed libaudit-common libaudit-common 1:2.4-1 install ok installed libaudit1:amd64 libaudit1 1:2.4-1+b1 install ok installed libblkid1:amd64 libblkid1 2.25.2-6 install ok installed libbz2-1.0:amd64 libbz2-1.0 1.0.6-7+b3 install ok installed libc-bin libc-bin 2.19-18+deb8u10 install ok installed libc6:amd64 libc6 2.19-18+deb8u10 install ok installed libcap2:amd64 libcap2 1:2.24-8 install ok installed libcap2-bin libcap2-bin 1:2.24-8 install ok installed libcomerr2:amd64 libcomerr2 1.42.12-2+b1 install ok installed libcryptsetup4:amd64 libcryptsetup4 2:1.6.6-5 install ok installed libdb5.3:amd64 libdb5.3 5.3.28-9+deb8u1 install ok installed libdebconfclient0:amd64 libdebconfclient0 0.192 install ok installed libdevmapper1.02.1:amd64 libdevmapper1.02.1 2:1.02.90-2.2+deb8u1 install ok installed libgcc1:amd64 libgcc1 1:4.9.2-10+deb8u1 install ok installed libgcrypt20:amd64 libgcrypt20 1.6.3-2+deb8u4 install ok installed libgpg-error0:amd64 libgpg-error0 1.17-3 install ok installed libkmod2:amd64 libkmod2 18-3 install ok installed liblocale-gettext-perl liblocale-gettext-perl 1.05-8+b1 install ok installed liblzma5:amd64 liblzma5 5.1.1alpha+20120614-2+b3 install ok installed libmount1:amd64 libmount1 2.25.2-6 install ok installed libncurses5:amd64 libncurses5 5.9+20140913-1+deb8u3 install ok installed libncursesw5:amd64 libncursesw5 5.9+20140913-1+deb8u3 install ok installed libpam-modules:amd64 libpam-modules 1.1.8-3.1+deb8u2+b1 install ok installed libpam-modules-bin libpam-modules-bin 1.1.8-3.1+deb8u2+b1 install ok installed libpam-runtime libpam-runtime 1.1.8-3.1+deb8u2 install ok installed libpam0g:amd64 libpam0g 1.1.8-3.1+deb8u2+b1 install ok installed libpcre3:amd64 libpcre3 2:8.35-3.3+deb8u4 install ok installed libprocps3:amd64 libprocps3 2:3.3.9-9+deb8u1 install ok installed libreadline6:amd64 libreadline6 6.3-8+b3 install ok installed libselinux1:amd64 libselinux1 2.3-2 install ok installed libsemanage-common libsemanage-common 2.3-1 install ok installed libsemanage1:amd64 libsemanage1 2.3-1+b1 install ok installed libsepol1:amd64 libsepol1 2.3-2 install ok installed libslang2:amd64 libslang2 2.3.0-2 install ok installed libsmartcols1:amd64 libsmartcols1 2.25.2-6 install ok installed libss2:amd64 libss2 1.42.12-2+b1 install ok installed libstdc++6:amd64 libstdc++6 4.9.2-10+deb8u1 install ok installed libsystemd0:amd64 libsystemd0 215-17+deb8u7 install ok installed libtext-charwidth-perl libtext-charwidth-perl 0.04-7+b3 install ok installed libtext-iconv-perl libtext-iconv-perl 1.7-5+b2 install ok installed libtext-wrapi18n-perl libtext-wrapi18n-perl 0.06-7 install ok installed libtinfo5:amd64 libtinfo5 5.9+20140913-1+deb8u3 install ok installed libudev1:amd64 libudev1 215-17+deb8u7 install ok installed libusb-0.1-4:amd64 libusb-0.1-4 2:0.1.12-25 install ok installed libustr-1.0-1:amd64 libustr-1.0-1 1.0.4-3+b2 install ok installed libuuid1:amd64 libuuid1 2.25.2-6 install ok installed login login 1:4.2-3+deb8u4 install ok installed lsb-base lsb-base 4.1+Debian13+nmu1 install ok installed mawk mawk 1.3.3-17 install ok installed mount mount 2.25.2-6 install ok installed multiarch-support multiarch-support 2.19-18+deb8u10 install ok installed ncurses-base ncurses-base 5.9+20140913-1+deb8u3 install ok installed ncurses-bin ncurses-bin 5.9+20140913-1+deb8u3 install ok installed passwd passwd 1:4.2-3+deb8u4 install ok installed perl-base perl-base 5.20.2-3+deb8u11 install ok installed procps procps 2:3.3.9-9+deb8u1 install ok installed readline-common readline-common 6.3-8 install ok installed sed sed 4.2.2-4+deb8u1 install ok installed sensible-utils sensible-utils 0.0.9+deb8u1 install ok installed startpar startpar 0.59-3 install ok installed systemd systemd 215-17+deb8u7 install ok installed systemd-sysv systemd-sysv 215-17+deb8u7 install ok installed sysv-rc sysv-rc 2.88dsf-59 install ok installed sysvinit-utils sysvinit-utils 2.88dsf-59 install ok installed tar tar 1.27.1-2+deb8u1 install ok installed tzdata tzdata 2018e-0+deb8u1 install ok installed ucf ucf 3.0030 install ok installed udev udev 215-17+deb8u7 install ok installed util-linux util-linux 2.25.2-6 install ok installed zlib1g:amd64 zlib1g 1:1.2.8.dfsg-2+b1 0m4.8s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'dpkg-query', '-W', '-f', '${Status}\\t${binary:Package}\\t${Package}\\t${Version}\\n'] 0m4.8s DEBUG: Loading chroot meta data from /srv/piuparts.debian.org/slave/refchroot/jessie2lts/reference-chroot-metadata.dat 0m4.8s DEBUG: Starting command: ['lsof', '-w', '+D', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi'] 0m5.4s DEBUG: Command failed (status=1), but ignoring error: ['lsof', '-w', '+D', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi'] 0m5.4s INFO: Running scripts is_testable 0m5.4s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/is_testable_uninstallable'] 0m5.4s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/is_testable_uninstallable'] 0m5.4s INFO: Running scripts pre_test 0m5.4s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_test_exceptions'] 0m5.4s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_test_exceptions'] 0m5.4s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_test_root_password'] 0m5.4s DUMP: Enter new UNIX password: Retype new UNIX password: passwd: password updated successfully 0m5.4s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_test_root_password'] 0m5.4s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-cache', 'show', '--no-all-versions', 'nwchem'] 0m5.5s DUMP: Package: nwchem Version: 6.5+r26243-4 Installed-Size: 65331 Maintainer: Debichem Team Architecture: amd64 Depends: mpi-default-bin, nwchem-data (= 6.5+r26243-4), libc6 (>= 2.16), libgcc1 (>= 1:4.1.1), libgfortran3 (>= 4.6), libopenmpi1.6, libpython2.7 (>= 2.7), libquadmath0 (>= 4.6), zlib1g (>= 1:1.2.0) Description-en: High-performance computational chemistry software NWChem is a computational chemistry program package. It provides methods which are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing resources from high-performance parallel supercomputers to conventional workstation clusters. . NWChem can handle: . * Molecular electronic structure methods using gaussian basis functions for high-accuracy calculations of molecules * Pseudopotentials plane-wave electronic structure methods for calculating molecules, liquids, crystals, surfaces, semi-conductors or metals * Ab-initio and classical molecular dynamics simulations * Mixed quantum-classical simulations * Parallel scaling to thousands of processors . Features include: * Molecular electronic structure methods, analytic second derivatives: - Restricted/unrestricted Hartree-Fock (RHF, UHF) - Restricted Density Functional Theory (DFT) using many local, non-local (gradient-corrected) or hybrid (local, non-local, and HF) exchange-correlation potentials * Molecular electronic structure methods, analytic gradients: - Restricted open-shell Hartree-Fock (ROHF) - Unrestricted Density Functional Theory (DFT) - Second-order Moeller-Plesset perturbation theory (MP2), using RHF and UHF reference - Complete active space SCF (CASSCF) - Time-Dependent Density Functional Theory (TDDFT) * Molecular electronic structure methods, single-point energies: - MP2 with resolution of the identity integral approximation (RI-MP2) or spin-component scaled approach (SCS-MP2), using RHF and UHF reference - Coupled cluster singles and doubles, triples or pertubative triples (CCSD, CCSDT, CCSD(T)), with RHF and UHF reference - Configuration interaction (CISD, CISDT, and CISDTQ) - Second-order approximate coupled-cluster singles doubles (CC2) - State-specific multireference coupled cluster methods (MRCC) (Brillouin-Wigner (BW-MRCC) and Mukherjee (Mk-MRCC) approaches) * Further molecular electronic structure features: - Geometry optimization including transition state searches, constraints and minimum energy paths (via the Nudged Elastic Band (NEB) and Zero Temperature String methods) - Vibrational frequencies - Equation-of-motion (EOM)-CCSD, EOM-CCSDT, EOM-CCSD(T), CC2, Configuration-Interaction singles (CIS), time-dependent HF (TDHF) and TDDFT, for excited states with RHF, UHF, RDFT, or UDFT reference - Solvatisation using the Conductor-like screening model (COSMO) for RHF, ROHF and DFT, including analytical gradients - Hybrid calculations using the two- and three-layer ONIOM method - Relativistic effects via spin-free and spin-orbit one-electron Douglas-Kroll and zeroth-order regular approximations (ZORA) and one-electron spin-orbit effects for DFT via spin-orbit potentials * Pseudopotential plane-wave electronic structure: - Pseudopotential Plane-Wave (PSPW), Projector Augmented Wave (PAW) or band structure methods for calculating molecules, liquids, crystals, surfaces, semi-conductors or metals - Geometry/unit cell optimization including transition state searches - Vibrational frequencies - LDA, PBE96, and PBE0 exchange-correlation potentials (restricted and unrestricted) - SIC, pert-OEP, Hartree-Fock, and hybrid functionals (restricted and unrestricted) - Hamann, Troullier-Martins and Hartwigsen-Goedecker-Hutter norm-conserving pseudopotentials with semicore corrections - Wavefunction, density, electrostatic and Wannier plotting - Band structure and density of states generation * Car-Parrinello ab-initio molecular dynamics (CPMD): - Constant energy and constant temperature dynamics - Verlet algorithm for integration - Geometry constraints in cartesian coordinates * Classical molecular dynamics (MD): - Single configuration energy evaluation - Energy minimization - Molecular dynamics simulation - Free energy simulation (multistep thermodynamic perturbation (MSTP) or multiconfiguration thermodynamic integration (MCTI) methods with options of single and/or dual topologies, double wide sampling, and separation- shifted scaling) - Force fields providing effective pair potentials, first order polarization, self consistent polarization, smooth particle mesh Ewald (SPME), periodic boundary conditions and SHAKE constraints * Mixed quantum-classical: - Mixed quantum-mechanics and molecular-mechanics (QM/MM) minimizations and molecular dynamics simulations - Quantum molecular dynamics simulation by using any of the quantum mechanical methods capable of returning gradients. Description-md5: 0725f49597df8feadaf02ebba3676ac2 Homepage: http://www.nwchem-sw.org Tag: field::chemistry, role::program Section: science Priority: optional Filename: pool/main/n/nwchem/nwchem_6.5+r26243-4_amd64.deb Size: 10930508 MD5sum: 599d1b3009e65f69d26f22a4e4bd8bab SHA1: bd76e58ea0d1b4f0a7641c766156b72330f1ec0e SHA256: 7cb2b22591cd94c07e8a54040cabdc090f25a7dcfd31e21b6eca6a35fdf5a510 0m5.5s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-cache', 'show', '--no-all-versions', 'nwchem'] 0m5.5s INFO: apt-cache knows about the following packages: nwchem 0m5.5s INFO: Running scripts pre_install 0m5.5s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_install_database-server'] 0m5.5s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_install_database-server'] 0m5.5s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_install_exceptions'] 0m5.5s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_install_exceptions'] 0m5.5s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_install_extras'] 0m5.5s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_install_extras'] 0m5.5s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_install_foreign_architecture'] 0m5.5s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_install_foreign_architecture'] 0m5.5s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_install_foreign_architecture_i386'] 0m5.5s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_install_foreign_architecture_i386'] 0m5.5s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-cache', 'policy'] 0m5.5s DUMP: Package files: 100 /var/lib/dpkg/status release a=now 500 http://deb.debian.org/debian/ jessie/main Translation-en 500 http://deb.debian.org/debian/ jessie/main amd64 Packages release v=8.11,o=Debian,a=oldoldstable,n=jessie,l=Debian,c=main origin deb.debian.org Pinned packages: 0m5.5s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-cache', 'policy'] 0m5.5s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-cache', 'policy', 'nwchem'] 0m5.5s DUMP: nwchem: Installed: (none) Candidate: 6.5+r26243-4 Version table: 6.5+r26243-4 0 500 http://deb.debian.org/debian/ jessie/main amd64 Packages 0m5.5s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-cache', 'policy', 'nwchem'] 0m5.5s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-get', '-y', 'install', 'nwchem'] 0m11.2s DUMP: Reading package lists... Building dependency tree... Reading state information... The following extra packages will be installed: libcr0 libexpat1 libffi6 libgfortran3 libhwloc5 libibverbs1 libltdl7 libnuma1 libopenmpi1.6 libpython2.7 libpython2.7-minimal libpython2.7-stdlib libquadmath0 libsqlite3-0 libssl1.0.0 mime-support mpi-default-bin nwchem-data openmpi-bin openmpi-common Suggested packages: blcr-dkms libhwloc-contrib-plugins gfortran openmpi-checkpoint Recommended packages: libhwloc-plugins file The following NEW packages will be installed: libcr0 libexpat1 libffi6 libgfortran3 libhwloc5 libibverbs1 libltdl7 libnuma1 libopenmpi1.6 libpython2.7 libpython2.7-minimal libpython2.7-stdlib libquadmath0 libsqlite3-0 libssl1.0.0 mime-support mpi-default-bin nwchem nwchem-data openmpi-bin openmpi-common 0 upgraded, 21 newly installed, 0 to remove and 0 not upgraded. Need to get 24.0 MB of archives. After this operation, 138 MB of additional disk space will be used. Get:1 http://deb.debian.org/debian/ jessie/main libssl1.0.0 amd64 1.0.1t-1+deb8u8 [1044 kB] Get:2 http://deb.debian.org/debian/ jessie/main libsqlite3-0 amd64 3.8.7.1-1+deb8u2 [438 kB] Get:3 http://deb.debian.org/debian/ jessie/main libexpat1 amd64 2.1.0-6+deb8u4 [80.2 kB] Get:4 http://deb.debian.org/debian/ jessie/main libffi6 amd64 3.1-2+deb8u1 [20.2 kB] Get:5 http://deb.debian.org/debian/ jessie/main libquadmath0 amd64 4.9.2-10+deb8u1 [129 kB] Get:6 http://deb.debian.org/debian/ jessie/main libgfortran3 amd64 4.9.2-10+deb8u1 [254 kB] Get:7 http://deb.debian.org/debian/ jessie/main libltdl7 amd64 2.4.2-1.11+b1 [45.4 kB] Get:8 http://deb.debian.org/debian/ jessie/main libnuma1 amd64 2.0.10-1 [32.5 kB] Get:9 http://deb.debian.org/debian/ jessie/main libpython2.7-minimal amd64 2.7.9-2+deb8u1 [378 kB] Get:10 http://deb.debian.org/debian/ jessie/main mime-support all 3.58 [36.0 kB] Get:11 http://deb.debian.org/debian/ jessie/main libpython2.7-stdlib amd64 2.7.9-2+deb8u1 [1847 kB] Get:12 http://deb.debian.org/debian/ jessie/main libpython2.7 amd64 2.7.9-2+deb8u1 [1081 kB] Get:13 http://deb.debian.org/debian/ jessie/main libhwloc5 amd64 1.10.0-3 [86.9 kB] Get:14 http://deb.debian.org/debian/ jessie/main libcr0 amd64 0.8.5-2.2 [32.7 kB] Get:15 http://deb.debian.org/debian/ jessie/main libibverbs1 amd64 1.1.8-1.1 [32.2 kB] Get:16 http://deb.debian.org/debian/ jessie/main libopenmpi1.6 amd64 1.6.5-9.1+deb8u1 [1455 kB] Get:17 http://deb.debian.org/debian/ jessie/main openmpi-common all 1.6.5-9.1+deb8u1 [110 kB] Get:18 http://deb.debian.org/debian/ jessie/main openmpi-bin amd64 1.6.5-9.1+deb8u1 [154 kB] Get:19 http://deb.debian.org/debian/ jessie/main mpi-default-bin amd64 1.0.2+nmu2 [3356 B] Get:20 http://deb.debian.org/debian/ jessie/main nwchem-data all 6.5+r26243-4 [5839 kB] Get:21 http://deb.debian.org/debian/ jessie/main nwchem amd64 6.5+r26243-4 [10.9 MB] debconf: delaying package configuration, since apt-utils is not installed Fetched 24.0 MB in 1s (17.2 MB/s) Selecting previously unselected package libssl1.0.0:amd64. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 7475 files and directories currently installed.) Preparing to unpack .../libssl1.0.0_1.0.1t-1+deb8u8_amd64.deb ... Unpacking libssl1.0.0:amd64 (1.0.1t-1+deb8u8) ... Selecting previously unselected package libsqlite3-0:amd64. Preparing to unpack .../libsqlite3-0_3.8.7.1-1+deb8u2_amd64.deb ... Unpacking libsqlite3-0:amd64 (3.8.7.1-1+deb8u2) ... Selecting previously unselected package libexpat1:amd64. Preparing to unpack .../libexpat1_2.1.0-6+deb8u4_amd64.deb ... Unpacking libexpat1:amd64 (2.1.0-6+deb8u4) ... Selecting previously unselected package libffi6:amd64. Preparing to unpack .../libffi6_3.1-2+deb8u1_amd64.deb ... Unpacking libffi6:amd64 (3.1-2+deb8u1) ... Selecting previously unselected package libquadmath0:amd64. Preparing to unpack .../libquadmath0_4.9.2-10+deb8u1_amd64.deb ... Unpacking libquadmath0:amd64 (4.9.2-10+deb8u1) ... Selecting previously unselected package libgfortran3:amd64. Preparing to unpack .../libgfortran3_4.9.2-10+deb8u1_amd64.deb ... Unpacking libgfortran3:amd64 (4.9.2-10+deb8u1) ... Selecting previously unselected package libltdl7:amd64. Preparing to unpack .../libltdl7_2.4.2-1.11+b1_amd64.deb ... Unpacking libltdl7:amd64 (2.4.2-1.11+b1) ... Selecting previously unselected package libnuma1:amd64. Preparing to unpack .../libnuma1_2.0.10-1_amd64.deb ... Unpacking libnuma1:amd64 (2.0.10-1) ... Selecting previously unselected package libpython2.7-minimal:amd64. Preparing to unpack .../libpython2.7-minimal_2.7.9-2+deb8u1_amd64.deb ... Unpacking libpython2.7-minimal:amd64 (2.7.9-2+deb8u1) ... Selecting previously unselected package mime-support. Preparing to unpack .../mime-support_3.58_all.deb ... Unpacking mime-support (3.58) ... Selecting previously unselected package libpython2.7-stdlib:amd64. Preparing to unpack .../libpython2.7-stdlib_2.7.9-2+deb8u1_amd64.deb ... Unpacking libpython2.7-stdlib:amd64 (2.7.9-2+deb8u1) ... Selecting previously unselected package libpython2.7:amd64. Preparing to unpack .../libpython2.7_2.7.9-2+deb8u1_amd64.deb ... Unpacking libpython2.7:amd64 (2.7.9-2+deb8u1) ... Selecting previously unselected package libhwloc5:amd64. Preparing to unpack .../libhwloc5_1.10.0-3_amd64.deb ... Unpacking libhwloc5:amd64 (1.10.0-3) ... Selecting previously unselected package libcr0. Preparing to unpack .../libcr0_0.8.5-2.2_amd64.deb ... Unpacking libcr0 (0.8.5-2.2) ... Selecting previously unselected package libibverbs1. Preparing to unpack .../libibverbs1_1.1.8-1.1_amd64.deb ... Unpacking libibverbs1 (1.1.8-1.1) ... Selecting previously unselected package libopenmpi1.6. Preparing to unpack .../libopenmpi1.6_1.6.5-9.1+deb8u1_amd64.deb ... Unpacking libopenmpi1.6 (1.6.5-9.1+deb8u1) ... Selecting previously unselected package openmpi-common. Preparing to unpack .../openmpi-common_1.6.5-9.1+deb8u1_all.deb ... Unpacking openmpi-common (1.6.5-9.1+deb8u1) ... Selecting previously unselected package openmpi-bin. Preparing to unpack .../openmpi-bin_1.6.5-9.1+deb8u1_amd64.deb ... Unpacking openmpi-bin (1.6.5-9.1+deb8u1) ... Selecting previously unselected package mpi-default-bin. Preparing to unpack .../mpi-default-bin_1.0.2+nmu2_amd64.deb ... Unpacking mpi-default-bin (1.0.2+nmu2) ... Selecting previously unselected package nwchem-data. Preparing to unpack .../nwchem-data_6.5+r26243-4_all.deb ... Unpacking nwchem-data (6.5+r26243-4) ... Selecting previously unselected package nwchem. Preparing to unpack .../nwchem_6.5+r26243-4_amd64.deb ... Unpacking nwchem (6.5+r26243-4) ... Setting up libssl1.0.0:amd64 (1.0.1t-1+deb8u8) ... Setting up libsqlite3-0:amd64 (3.8.7.1-1+deb8u2) ... Setting up libexpat1:amd64 (2.1.0-6+deb8u4) ... Setting up libffi6:amd64 (3.1-2+deb8u1) ... Setting up libquadmath0:amd64 (4.9.2-10+deb8u1) ... Setting up libgfortran3:amd64 (4.9.2-10+deb8u1) ... Setting up libltdl7:amd64 (2.4.2-1.11+b1) ... Setting up libnuma1:amd64 (2.0.10-1) ... Setting up libpython2.7-minimal:amd64 (2.7.9-2+deb8u1) ... Setting up mime-support (3.58) ... Setting up libpython2.7-stdlib:amd64 (2.7.9-2+deb8u1) ... Setting up libpython2.7:amd64 (2.7.9-2+deb8u1) ... Setting up libhwloc5:amd64 (1.10.0-3) ... Setting up libcr0 (0.8.5-2.2) ... Setting up libibverbs1 (1.1.8-1.1) ... Setting up libopenmpi1.6 (1.6.5-9.1+deb8u1) ... Setting up openmpi-common (1.6.5-9.1+deb8u1) ... Setting up openmpi-bin (1.6.5-9.1+deb8u1) ... update-alternatives: using /usr/bin/mpirun.openmpi to provide /usr/bin/mpirun (mpirun) in auto mode Setting up mpi-default-bin (1.0.2+nmu2) ... Setting up nwchem-data (6.5+r26243-4) ... Setting up nwchem (6.5+r26243-4) ... Processing triggers for libc-bin (2.19-18+deb8u10) ... 0m11.2s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-get', '-y', 'install', 'nwchem'] 0m11.2s INFO: Running scripts post_install 0m11.2s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_install_exceptions'] 0m11.2s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_install_exceptions'] 0m11.2s DEBUG: Starting command: ['lsof', '-w', '+D', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi'] 0m11.8s DEBUG: Command failed (status=1), but ignoring error: ['lsof', '-w', '+D', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi'] 0m11.8s DEBUG: Upgrading /srv/piuparts.debian.org/tmp/tmph8t9uhpi to jessie-lts 0m11.8s DEBUG: sources.list: deb http://deb.debian.org/debian/ jessie main deb http://security.debian.org jessie/updates main 0m11.8s INFO: Running scripts pre_distupgrade 0m11.8s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_distupgrade_allow_unauthenticated'] 0m11.8s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_distupgrade_allow_unauthenticated'] 0m11.8s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_distupgrade_exceptions'] 0m11.8s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_distupgrade_exceptions'] 0m11.8s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_distupgrade_foreign_architecture_i386'] 0m11.8s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_distupgrade_foreign_architecture_i386'] 0m11.8s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_distupgrade_zz_database-server'] 0m11.9s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_distupgrade_zz_database-server'] 0m11.9s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_distupgrade_zz_upgrade_early'] 0m11.9s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_distupgrade_zz_upgrade_early'] 0m11.9s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-get', 'update'] 0m13.7s DUMP: Ign http://deb.debian.org jessie InRelease Get:1 http://security.debian.org jessie/updates InRelease [44.9 kB] Hit http://deb.debian.org jessie Release.gpg Hit http://deb.debian.org jessie Release Get:2 http://security.debian.org jessie/updates/main amd64 Packages [781 kB] Hit http://deb.debian.org jessie/main amd64 Packages Hit http://deb.debian.org jessie/main Translation-en Get:3 http://security.debian.org jessie/updates/main Translation-en [401 kB] Fetched 1227 kB in 0s (1533 kB/s) Reading package lists... 0m13.7s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-get', 'update'] 0m13.7s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-get', '-yf', 'dist-upgrade'] 0m18.3s DUMP: Reading package lists... Building dependency tree... Reading state information... The following packages will be upgraded: apt bash e2fslibs e2fsprogs gcc-4.9-base libapt-pkg4.12 libbz2-1.0 libcomerr2 libexpat1 libgcc1 libgcrypt20 libgfortran3 libpython2.7 libpython2.7-minimal libpython2.7-stdlib libquadmath0 libsqlite3-0 libss2 libssl1.0.0 libstdc++6 libsystemd0 libudev1 perl-base systemd systemd-sysv tar tzdata udev zlib1g 29 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. Need to get 16.2 MB of archives. After this operation, 3915 kB of additional disk space will be used. Get:1 http://security.debian.org/ jessie/updates/main bash amd64 4.3-11+deb8u2 [1173 kB] Get:2 http://security.debian.org/ jessie/updates/main e2fslibs amd64 1.42.12-2+deb8u2 [186 kB] Get:3 http://security.debian.org/ jessie/updates/main e2fsprogs amd64 1.42.12-2+deb8u2 [751 kB] Get:4 http://security.debian.org/ jessie/updates/main perl-base amd64 5.20.2-3+deb8u12 [1231 kB] Get:5 http://security.debian.org/ jessie/updates/main tar amd64 1.27.1-2+deb8u2 [676 kB] Get:6 http://security.debian.org/ jessie/updates/main libbz2-1.0 amd64 1.0.6-7+deb8u2 [43.3 kB] Get:7 http://security.debian.org/ jessie/updates/main libquadmath0 amd64 4.9.2-10+deb8u2 [129 kB] Get:8 http://security.debian.org/ jessie/updates/main libgfortran3 amd64 4.9.2-10+deb8u2 [254 kB] Get:9 http://security.debian.org/ jessie/updates/main gcc-4.9-base amd64 4.9.2-10+deb8u2 [160 kB] Get:10 http://security.debian.org/ jessie/updates/main libgcc1 amd64 1:4.9.2-10+deb8u2 [39.4 kB] Get:11 http://security.debian.org/ jessie/updates/main libstdc++6 amd64 4.9.2-10+deb8u2 [273 kB] Get:12 http://security.debian.org/ jessie/updates/main zlib1g amd64 1:1.2.8.dfsg-2+deb8u1 [88.3 kB] Get:13 http://security.debian.org/ jessie/updates/main libapt-pkg4.12 amd64 1.0.9.8.6 [794 kB] Get:14 http://security.debian.org/ jessie/updates/main apt amd64 1.0.9.8.6 [1109 kB] Get:15 http://security.debian.org/ jessie/updates/main libudev1 amd64 215-17+deb8u13 [58.8 kB] Get:16 http://security.debian.org/ jessie/updates/main udev amd64 215-17+deb8u13 [878 kB] Get:17 http://security.debian.org/ jessie/updates/main libcomerr2 amd64 1.42.12-2+deb8u2 [60.6 kB] Get:18 http://security.debian.org/ jessie/updates/main libss2 amd64 1.42.12-2+deb8u2 [64.9 kB] Get:19 http://security.debian.org/ jessie/updates/main libgcrypt20 amd64 1.6.3-2+deb8u8 [394 kB] Get:20 http://security.debian.org/ jessie/updates/main libsystemd0 amd64 215-17+deb8u13 [90.5 kB] Get:21 http://security.debian.org/ jessie/updates/main systemd amd64 215-17+deb8u13 [2555 kB] Get:22 http://security.debian.org/ jessie/updates/main systemd-sysv amd64 215-17+deb8u13 [37.5 kB] Get:23 http://security.debian.org/ jessie/updates/main libssl1.0.0 amd64 1.0.1t-1+deb8u12 [1049 kB] Get:24 http://security.debian.org/ jessie/updates/main libsqlite3-0 amd64 3.8.7.1-1+deb8u6 [439 kB] Get:25 http://security.debian.org/ jessie/updates/main libexpat1 amd64 2.1.0-6+deb8u6 [80.3 kB] Get:26 http://security.debian.org/ jessie/updates/main libpython2.7 amd64 2.7.9-2+deb8u5 [1080 kB] Get:27 http://security.debian.org/ jessie/updates/main libpython2.7-stdlib amd64 2.7.9-2+deb8u5 [1850 kB] Get:28 http://security.debian.org/ jessie/updates/main libpython2.7-minimal amd64 2.7.9-2+deb8u5 [379 kB] Get:29 http://security.debian.org/ jessie/updates/main tzdata all 2019c-0+deb8u1 [234 kB] debconf: delaying package configuration, since apt-utils is not installed Fetched 16.2 MB in 0s (42.5 MB/s) (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 10018 files and directories currently installed.) Preparing to unpack .../bash_4.3-11+deb8u2_amd64.deb ... Unpacking bash (4.3-11+deb8u2) over (4.3-11+deb8u1) ... Setting up bash (4.3-11+deb8u2) ... update-alternatives: using /usr/share/man/man7/bash-builtins.7.gz to provide /usr/share/man/man7/builtins.7.gz (builtins.7.gz) in auto mode (Reading database ... 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(Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 10017 files and directories currently installed.) Preparing to unpack .../e2fsprogs_1.42.12-2+deb8u2_amd64.deb ... Unpacking e2fsprogs (1.42.12-2+deb8u2) over (1.42.12-2+b1) ... Setting up e2fsprogs (1.42.12-2+deb8u2) ... (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 10016 files and directories currently installed.) Preparing to unpack .../perl-base_5.20.2-3+deb8u12_amd64.deb ... Unpacking perl-base (5.20.2-3+deb8u12) over (5.20.2-3+deb8u11) ... Setting up perl-base (5.20.2-3+deb8u12) ... (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 10016 files and directories currently installed.) Preparing to unpack .../tar_1.27.1-2+deb8u2_amd64.deb ... Unpacking tar (1.27.1-2+deb8u2) over (1.27.1-2+deb8u1) ... Processing triggers for mime-support (3.58) ... Setting up tar (1.27.1-2+deb8u2) ... (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 10016 files and directories currently installed.) Preparing to unpack .../libbz2-1.0_1.0.6-7+deb8u2_amd64.deb ... Unpacking libbz2-1.0:amd64 (1.0.6-7+deb8u2) over (1.0.6-7+b3) ... Setting up libbz2-1.0:amd64 (1.0.6-7+deb8u2) ... Processing triggers for libc-bin (2.19-18+deb8u10) ... (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 10015 files and directories currently installed.) Preparing to unpack .../libquadmath0_4.9.2-10+deb8u2_amd64.deb ... Unpacking libquadmath0:amd64 (4.9.2-10+deb8u2) over (4.9.2-10+deb8u1) ... Preparing to unpack .../libgfortran3_4.9.2-10+deb8u2_amd64.deb ... Unpacking libgfortran3:amd64 (4.9.2-10+deb8u2) over (4.9.2-10+deb8u1) ... Preparing to unpack .../gcc-4.9-base_4.9.2-10+deb8u2_amd64.deb ... Unpacking gcc-4.9-base:amd64 (4.9.2-10+deb8u2) over (4.9.2-10+deb8u1) ... Setting up gcc-4.9-base:amd64 (4.9.2-10+deb8u2) ... (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 10015 files and directories currently installed.) Preparing to unpack .../libgcc1_1%3a4.9.2-10+deb8u2_amd64.deb ... Unpacking libgcc1:amd64 (1:4.9.2-10+deb8u2) over (1:4.9.2-10+deb8u1) ... Setting up libgcc1:amd64 (1:4.9.2-10+deb8u2) ... Processing triggers for libc-bin (2.19-18+deb8u10) ... (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 10015 files and directories currently installed.) Preparing to unpack .../libstdc++6_4.9.2-10+deb8u2_amd64.deb ... Unpacking libstdc++6:amd64 (4.9.2-10+deb8u2) over (4.9.2-10+deb8u1) ... Setting up libstdc++6:amd64 (4.9.2-10+deb8u2) ... Processing triggers for libc-bin (2.19-18+deb8u10) ... (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 10015 files and directories currently installed.) Preparing to unpack .../zlib1g_1%3a1.2.8.dfsg-2+deb8u1_amd64.deb ... Unpacking zlib1g:amd64 (1:1.2.8.dfsg-2+deb8u1) over (1:1.2.8.dfsg-2+b1) ... Setting up zlib1g:amd64 (1:1.2.8.dfsg-2+deb8u1) ... Processing triggers for libc-bin (2.19-18+deb8u10) ... (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 10014 files and directories currently installed.) Preparing to unpack .../libapt-pkg4.12_1.0.9.8.6_amd64.deb ... Unpacking libapt-pkg4.12:amd64 (1.0.9.8.6) over (1.0.9.8.4) ... Setting up libapt-pkg4.12:amd64 (1.0.9.8.6) ... Processing triggers for libc-bin (2.19-18+deb8u10) ... (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 10014 files and directories currently installed.) Preparing to unpack .../apt_1.0.9.8.6_amd64.deb ... Unpacking apt (1.0.9.8.6) over (1.0.9.8.4) ... Setting up apt (1.0.9.8.6) ... Processing triggers for libc-bin (2.19-18+deb8u10) ... (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 10014 files and directories currently installed.) Preparing to unpack .../libudev1_215-17+deb8u13_amd64.deb ... Unpacking libudev1:amd64 (215-17+deb8u13) over (215-17+deb8u7) ... Setting up libudev1:amd64 (215-17+deb8u13) ... Processing triggers for libc-bin (2.19-18+deb8u10) ... (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 10014 files and directories currently installed.) Preparing to unpack .../udev_215-17+deb8u13_amd64.deb ... Unpacking udev (215-17+deb8u13) over (215-17+deb8u7) ... Processing triggers for systemd (215-17+deb8u7) ... Setting up udev (215-17+deb8u13) ... addgroup: The group `input' already exists as a system group. Exiting. A chroot environment has been detected, udev not started. A chroot environment has been detected, udev not started. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 10014 files and directories currently installed.) Preparing to unpack .../libcomerr2_1.42.12-2+deb8u2_amd64.deb ... Unpacking libcomerr2:amd64 (1.42.12-2+deb8u2) over (1.42.12-2+b1) ... Setting up libcomerr2:amd64 (1.42.12-2+deb8u2) ... Processing triggers for libc-bin (2.19-18+deb8u10) ... (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 10013 files and directories currently installed.) Preparing to unpack .../libss2_1.42.12-2+deb8u2_amd64.deb ... Unpacking libss2:amd64 (1.42.12-2+deb8u2) over (1.42.12-2+b1) ... Setting up libss2:amd64 (1.42.12-2+deb8u2) ... Processing triggers for libc-bin (2.19-18+deb8u10) ... (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 10012 files and directories currently installed.) Preparing to unpack .../libgcrypt20_1.6.3-2+deb8u8_amd64.deb ... Unpacking libgcrypt20:amd64 (1.6.3-2+deb8u8) over (1.6.3-2+deb8u4) ... Setting up libgcrypt20:amd64 (1.6.3-2+deb8u8) ... Processing triggers for libc-bin (2.19-18+deb8u10) ... (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 10012 files and directories currently installed.) Preparing to unpack .../libsystemd0_215-17+deb8u13_amd64.deb ... Unpacking libsystemd0:amd64 (215-17+deb8u13) over (215-17+deb8u7) ... Setting up libsystemd0:amd64 (215-17+deb8u13) ... Processing triggers for libc-bin (2.19-18+deb8u10) ... (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 10012 files and directories currently installed.) Preparing to unpack .../systemd_215-17+deb8u13_amd64.deb ... Unpacking systemd (215-17+deb8u13) over (215-17+deb8u7) ... Setting up systemd (215-17+deb8u13) ... addgroup: The group `systemd-journal' already exists as a system group. Exiting. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 10012 files and directories currently installed.) Preparing to unpack .../systemd-sysv_215-17+deb8u13_amd64.deb ... Unpacking systemd-sysv (215-17+deb8u13) over (215-17+deb8u7) ... Setting up systemd-sysv (215-17+deb8u13) ... (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 10012 files and directories currently installed.) Preparing to unpack .../libssl1.0.0_1.0.1t-1+deb8u12_amd64.deb ... Unpacking libssl1.0.0:amd64 (1.0.1t-1+deb8u12) over (1.0.1t-1+deb8u8) ... Preparing to unpack .../libsqlite3-0_3.8.7.1-1+deb8u6_amd64.deb ... Unpacking libsqlite3-0:amd64 (3.8.7.1-1+deb8u6) over (3.8.7.1-1+deb8u2) ... Preparing to unpack .../libexpat1_2.1.0-6+deb8u6_amd64.deb ... Unpacking libexpat1:amd64 (2.1.0-6+deb8u6) over (2.1.0-6+deb8u4) ... Preparing to unpack .../libpython2.7_2.7.9-2+deb8u5_amd64.deb ... Unpacking libpython2.7:amd64 (2.7.9-2+deb8u5) over (2.7.9-2+deb8u1) ... Preparing to unpack .../libpython2.7-stdlib_2.7.9-2+deb8u5_amd64.deb ... Unpacking libpython2.7-stdlib:amd64 (2.7.9-2+deb8u5) over (2.7.9-2+deb8u1) ... Preparing to unpack .../libpython2.7-minimal_2.7.9-2+deb8u5_amd64.deb ... Unpacking libpython2.7-minimal:amd64 (2.7.9-2+deb8u5) over (2.7.9-2+deb8u1) ... Preparing to unpack .../tzdata_2019c-0+deb8u1_all.deb ... Unpacking tzdata (2019c-0+deb8u1) over (2018e-0+deb8u1) ... Setting up tzdata (2019c-0+deb8u1) ... Current default time zone: 'Etc/UTC' Local time is now: Tue Nov 15 12:01:27 UTC 2022. Universal Time is now: Tue Nov 15 12:01:27 UTC 2022. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up libquadmath0:amd64 (4.9.2-10+deb8u2) ... Setting up libgfortran3:amd64 (4.9.2-10+deb8u2) ... Setting up libssl1.0.0:amd64 (1.0.1t-1+deb8u12) ... Setting up libsqlite3-0:amd64 (3.8.7.1-1+deb8u6) ... Setting up libexpat1:amd64 (2.1.0-6+deb8u6) ... Setting up libpython2.7-minimal:amd64 (2.7.9-2+deb8u5) ... Setting up libpython2.7-stdlib:amd64 (2.7.9-2+deb8u5) ... Setting up libpython2.7:amd64 (2.7.9-2+deb8u5) ... Processing triggers for libc-bin (2.19-18+deb8u10) ... 0m18.3s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-get', '-yf', 'dist-upgrade'] 0m18.3s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'sh', '-c', 'apt-cache dumpavail | md5sum'] 0m18.5s DUMP: ea587cb5da6f95fbc79bf1681671e909 - 0m18.5s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'sh', '-c', 'apt-cache dumpavail | md5sum'] 0m18.5s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-cache', 'show', '--no-all-versions', 'nwchem'] 0m18.5s DUMP: Package: nwchem Version: 6.5+r26243-4 Installed-Size: 65331 Maintainer: Debichem Team Architecture: amd64 Depends: mpi-default-bin, nwchem-data (= 6.5+r26243-4), libc6 (>= 2.16), libgcc1 (>= 1:4.1.1), libgfortran3 (>= 4.6), libopenmpi1.6, libpython2.7 (>= 2.7), libquadmath0 (>= 4.6), zlib1g (>= 1:1.2.0) Description-en: High-performance computational chemistry software NWChem is a computational chemistry program package. It provides methods which are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing resources from high-performance parallel supercomputers to conventional workstation clusters. . NWChem can handle: . * Molecular electronic structure methods using gaussian basis functions for high-accuracy calculations of molecules * Pseudopotentials plane-wave electronic structure methods for calculating molecules, liquids, crystals, surfaces, semi-conductors or metals * Ab-initio and classical molecular dynamics simulations * Mixed quantum-classical simulations * Parallel scaling to thousands of processors . Features include: * Molecular electronic structure methods, analytic second derivatives: - Restricted/unrestricted Hartree-Fock (RHF, UHF) - Restricted Density Functional Theory (DFT) using many local, non-local (gradient-corrected) or hybrid (local, non-local, and HF) exchange-correlation potentials * Molecular electronic structure methods, analytic gradients: - Restricted open-shell Hartree-Fock (ROHF) - Unrestricted Density Functional Theory (DFT) - Second-order Moeller-Plesset perturbation theory (MP2), using RHF and UHF reference - Complete active space SCF (CASSCF) - Time-Dependent Density Functional Theory (TDDFT) * Molecular electronic structure methods, single-point energies: - MP2 with resolution of the identity integral approximation (RI-MP2) or spin-component scaled approach (SCS-MP2), using RHF and UHF reference - Coupled cluster singles and doubles, triples or pertubative triples (CCSD, CCSDT, CCSD(T)), with RHF and UHF reference - Configuration interaction (CISD, CISDT, and CISDTQ) - Second-order approximate coupled-cluster singles doubles (CC2) - State-specific multireference coupled cluster methods (MRCC) (Brillouin-Wigner (BW-MRCC) and Mukherjee (Mk-MRCC) approaches) * Further molecular electronic structure features: - Geometry optimization including transition state searches, constraints and minimum energy paths (via the Nudged Elastic Band (NEB) and Zero Temperature String methods) - Vibrational frequencies - Equation-of-motion (EOM)-CCSD, EOM-CCSDT, EOM-CCSD(T), CC2, Configuration-Interaction singles (CIS), time-dependent HF (TDHF) and TDDFT, for excited states with RHF, UHF, RDFT, or UDFT reference - Solvatisation using the Conductor-like screening model (COSMO) for RHF, ROHF and DFT, including analytical gradients - Hybrid calculations using the two- and three-layer ONIOM method - Relativistic effects via spin-free and spin-orbit one-electron Douglas-Kroll and zeroth-order regular approximations (ZORA) and one-electron spin-orbit effects for DFT via spin-orbit potentials * Pseudopotential plane-wave electronic structure: - Pseudopotential Plane-Wave (PSPW), Projector Augmented Wave (PAW) or band structure methods for calculating molecules, liquids, crystals, surfaces, semi-conductors or metals - Geometry/unit cell optimization including transition state searches - Vibrational frequencies - LDA, PBE96, and PBE0 exchange-correlation potentials (restricted and unrestricted) - SIC, pert-OEP, Hartree-Fock, and hybrid functionals (restricted and unrestricted) - Hamann, Troullier-Martins and Hartwigsen-Goedecker-Hutter norm-conserving pseudopotentials with semicore corrections - Wavefunction, density, electrostatic and Wannier plotting - Band structure and density of states generation * Car-Parrinello ab-initio molecular dynamics (CPMD): - Constant energy and constant temperature dynamics - Verlet algorithm for integration - Geometry constraints in cartesian coordinates * Classical molecular dynamics (MD): - Single configuration energy evaluation - Energy minimization - Molecular dynamics simulation - Free energy simulation (multistep thermodynamic perturbation (MSTP) or multiconfiguration thermodynamic integration (MCTI) methods with options of single and/or dual topologies, double wide sampling, and separation- shifted scaling) - Force fields providing effective pair potentials, first order polarization, self consistent polarization, smooth particle mesh Ewald (SPME), periodic boundary conditions and SHAKE constraints * Mixed quantum-classical: - Mixed quantum-mechanics and molecular-mechanics (QM/MM) minimizations and molecular dynamics simulations - Quantum molecular dynamics simulation by using any of the quantum mechanical methods capable of returning gradients. Description-md5: 0725f49597df8feadaf02ebba3676ac2 Homepage: http://www.nwchem-sw.org Tag: field::chemistry, role::program Section: science Priority: optional Filename: pool/main/n/nwchem/nwchem_6.5+r26243-4_amd64.deb Size: 10930508 MD5sum: 599d1b3009e65f69d26f22a4e4bd8bab SHA1: bd76e58ea0d1b4f0a7641c766156b72330f1ec0e SHA256: 7cb2b22591cd94c07e8a54040cabdc090f25a7dcfd31e21b6eca6a35fdf5a510 0m18.5s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-cache', 'show', '--no-all-versions', 'nwchem'] 0m18.5s INFO: apt-cache knows about the following packages: nwchem 0m18.5s INFO: Running scripts pre_install 0m18.5s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_install_database-server'] 0m18.5s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_install_database-server'] 0m18.5s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_install_exceptions'] 0m18.5s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_install_exceptions'] 0m18.5s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_install_extras'] 0m18.6s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_install_extras'] 0m18.6s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_install_foreign_architecture'] 0m18.6s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_install_foreign_architecture'] 0m18.6s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_install_foreign_architecture_i386'] 0m18.6s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_install_foreign_architecture_i386'] 0m18.6s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-cache', 'policy'] 0m18.6s DUMP: Package files: 100 /var/lib/dpkg/status release a=now 500 http://security.debian.org/ jessie/updates/main Translation-en 500 http://security.debian.org/ jessie/updates/main amd64 Packages release v=8,o=Debian,a=oldoldstable,n=jessie,l=Debian-Security,c=main origin security.debian.org 500 http://deb.debian.org/debian/ jessie/main Translation-en 500 http://deb.debian.org/debian/ jessie/main amd64 Packages release v=8.11,o=Debian,a=oldoldstable,n=jessie,l=Debian,c=main origin deb.debian.org Pinned packages: 0m18.6s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-cache', 'policy'] 0m18.6s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-cache', 'policy', 'nwchem'] 0m18.7s DUMP: nwchem: Installed: 6.5+r26243-4 Candidate: 6.5+r26243-4 Version table: *** 6.5+r26243-4 0 500 http://deb.debian.org/debian/ jessie/main amd64 Packages 100 /var/lib/dpkg/status 0m18.7s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-cache', 'policy', 'nwchem'] 0m18.7s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-get', '-y', 'install', 'nwchem'] 0m18.9s DUMP: Reading package lists... Building dependency tree... Reading state information... nwchem is already the newest version. 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 0m18.9s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-get', '-y', 'install', 'nwchem'] 0m18.9s INFO: Running scripts post_install 0m18.9s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_install_exceptions'] 0m18.9s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_install_exceptions'] 0m18.9s INFO: Running scripts post_distupgrade 0m18.9s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_distupgrade_base_cleanup'] 0m18.9s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_distupgrade_base_cleanup'] 0m18.9s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_distupgrade_exceptions'] 0m18.9s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_distupgrade_exceptions'] 0m18.9s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_distupgrade_force-unsafe-io'] 0m18.9s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_distupgrade_force-unsafe-io'] 0m18.9s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_distupgrade_squeeze-backports'] 0m18.9s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_distupgrade_squeeze-backports'] 0m18.9s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_distupgrade_zz_backports'] 0m18.9s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_distupgrade_zz_backports'] 0m18.9s DEBUG: Starting command: ['lsof', '-w', '+D', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi'] 0m19.3s DEBUG: Command failed (status=1), but ignoring error: ['lsof', '-w', '+D', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi'] 0m19.3s DEBUG: Starting command: ['lsof', '-w', '+D', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi'] 0m19.8s DEBUG: Command failed (status=1), but ignoring error: ['lsof', '-w', '+D', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi'] 0m19.8s INFO: Running scripts pre_install 0m19.8s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_install_database-server'] 0m19.8s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_install_database-server'] 0m19.8s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_install_exceptions'] 0m19.8s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_install_exceptions'] 0m19.8s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_install_extras'] 0m19.8s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_install_extras'] 0m19.8s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_install_foreign_architecture'] 0m19.9s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_install_foreign_architecture'] 0m19.9s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_install_foreign_architecture_i386'] 0m19.9s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_install_foreign_architecture_i386'] 0m19.9s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-cache', 'policy'] 0m19.9s DUMP: Package files: 100 /var/lib/dpkg/status release a=now 500 http://security.debian.org/ jessie/updates/main Translation-en 500 http://security.debian.org/ jessie/updates/main amd64 Packages release v=8,o=Debian,a=oldoldstable,n=jessie,l=Debian-Security,c=main origin security.debian.org 500 http://deb.debian.org/debian/ jessie/main Translation-en 500 http://deb.debian.org/debian/ jessie/main amd64 Packages release v=8.11,o=Debian,a=oldoldstable,n=jessie,l=Debian,c=main origin deb.debian.org Pinned packages: 0m19.9s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-cache', 'policy'] 0m19.9s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-cache', 'policy', 'nwchem'] 0m19.9s DUMP: nwchem: Installed: 6.5+r26243-4 Candidate: 6.5+r26243-4 Version table: *** 6.5+r26243-4 0 500 http://deb.debian.org/debian/ jessie/main amd64 Packages 100 /var/lib/dpkg/status 0m19.9s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-cache', 'policy', 'nwchem'] 0m19.9s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-get', '-y', 'install', 'nwchem=6.5+r26243-4'] 0m20.1s DUMP: Reading package lists... Building dependency tree... Reading state information... nwchem is already the newest version. 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 0m20.1s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-get', '-y', 'install', 'nwchem=6.5+r26243-4'] 0m20.1s INFO: Running scripts post_install 0m20.1s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_install_exceptions'] 0m20.1s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_install_exceptions'] 0m20.1s DEBUG: Starting command: ['lsof', '-w', '+D', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi'] 0m20.5s DEBUG: Command failed (status=1), but ignoring error: ['lsof', '-w', '+D', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi'] 0m21.0s DEBUG: Starting command: ['debsums', '--root', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', '-ac', '--ignore-obsolete'] 0m22.0s DEBUG: Command ok: ['debsums', '--root', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', '-ac', '--ignore-obsolete'] 0m22.0s DEBUG: Starting command: ['dpkg-query', '-f', '${Version}\n', '-W', 'adequate'] 0m22.0s DUMP: 0.15.6 0m22.0s DEBUG: Command ok: ['dpkg-query', '-f', '${Version}\n', '-W', 'adequate'] 0m22.0s INFO: Running adequate version 0.15.6 now. 0m22.0s DEBUG: Starting command: ['adequate', '--root', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'nwchem'] 0m22.1s DEBUG: Command ok: ['adequate', '--root', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'nwchem'] 0m22.1s INFO: Running scripts pre_remove 0m22.1s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_remove_40_find_missing_md5sums'] 0m22.1s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_remove_40_find_missing_md5sums'] 0m22.1s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_remove_40_find_obsolete_conffiles'] 0m22.1s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_remove_40_find_obsolete_conffiles'] 0m22.1s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_remove_40_find_unowned_lib_links'] 0m23.3s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_remove_40_find_unowned_lib_links'] 0m23.3s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_remove_50_find_bad_permissions'] 0m23.3s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_remove_50_find_bad_permissions'] 0m23.3s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_remove_50_find_missing_copyright'] 0m23.3s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_remove_50_find_missing_copyright'] 0m23.3s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_remove_exceptions'] 0m23.4s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/pre_remove_exceptions'] 0m23.4s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'dpkg-query', '-W', '-f', '${Status}\\t${binary:Package}\\t${Package}\\t${Version}\\n'] 0m23.4s DUMP: install ok installed acl acl 2.2.52-2 install ok installed adduser adduser 3.113+nmu3 install ok installed apt apt 1.0.9.8.6 install ok installed base-files base-files 8+deb8u11 install ok installed base-passwd base-passwd 3.5.37 install ok installed bash bash 4.3-11+deb8u2 install ok installed bsdutils bsdutils 1:2.25.2-6 install ok installed coreutils coreutils 8.23-4 install ok installed dash dash 0.5.7-4+b1 install ok installed debconf debconf 1.5.56+deb8u1 install ok installed debconf-i18n debconf-i18n 1.5.56+deb8u1 install ok installed debian-archive-keyring debian-archive-keyring 2017.5~deb8u1 install ok installed debianutils debianutils 4.4+b1 install ok installed diffutils diffutils 1:3.3-1+b1 install ok installed dmsetup dmsetup 2:1.02.90-2.2+deb8u1 install ok installed dpkg dpkg 1.17.27 install ok installed e2fslibs:amd64 e2fslibs 1.42.12-2+deb8u2 install ok installed e2fsprogs e2fsprogs 1.42.12-2+deb8u2 install ok installed findutils findutils 4.4.2-9+b1 install ok installed gcc-4.9-base:amd64 gcc-4.9-base 4.9.2-10+deb8u2 install ok installed gnupg gnupg 1.4.18-7+deb8u5 install ok installed gpgv gpgv 1.4.18-7+deb8u5 install ok installed grep grep 2.20-4.1 install ok installed gzip gzip 1.6-4 install ok installed hostname hostname 3.15 install ok installed init init 1.22 install ok installed init-system-helpers init-system-helpers 1.22 install ok installed initscripts initscripts 2.88dsf-59 install ok installed insserv insserv 1.14.0-5 install ok installed libacl1:amd64 libacl1 2.2.52-2 install ok installed libapt-pkg4.12:amd64 libapt-pkg4.12 1.0.9.8.6 install ok installed libattr1:amd64 libattr1 1:2.4.47-2 install ok installed libaudit-common libaudit-common 1:2.4-1 install ok installed libaudit1:amd64 libaudit1 1:2.4-1+b1 install ok installed libblkid1:amd64 libblkid1 2.25.2-6 install ok installed libbz2-1.0:amd64 libbz2-1.0 1.0.6-7+deb8u2 install ok installed libc-bin libc-bin 2.19-18+deb8u10 install ok installed libc6:amd64 libc6 2.19-18+deb8u10 install ok installed libcap2:amd64 libcap2 1:2.24-8 install ok installed libcap2-bin libcap2-bin 1:2.24-8 install ok installed libcomerr2:amd64 libcomerr2 1.42.12-2+deb8u2 install ok installed libcr0 libcr0 0.8.5-2.2 install ok installed libcryptsetup4:amd64 libcryptsetup4 2:1.6.6-5 install ok installed libdb5.3:amd64 libdb5.3 5.3.28-9+deb8u1 install ok installed libdebconfclient0:amd64 libdebconfclient0 0.192 install ok installed libdevmapper1.02.1:amd64 libdevmapper1.02.1 2:1.02.90-2.2+deb8u1 install ok installed libexpat1:amd64 libexpat1 2.1.0-6+deb8u6 install ok installed libffi6:amd64 libffi6 3.1-2+deb8u1 install ok installed libgcc1:amd64 libgcc1 1:4.9.2-10+deb8u2 install ok installed libgcrypt20:amd64 libgcrypt20 1.6.3-2+deb8u8 install ok installed libgfortran3:amd64 libgfortran3 4.9.2-10+deb8u2 install ok installed libgpg-error0:amd64 libgpg-error0 1.17-3 install ok installed libhwloc5:amd64 libhwloc5 1.10.0-3 install ok installed libibverbs1 libibverbs1 1.1.8-1.1 install ok installed libkmod2:amd64 libkmod2 18-3 install ok installed liblocale-gettext-perl liblocale-gettext-perl 1.05-8+b1 install ok installed libltdl7:amd64 libltdl7 2.4.2-1.11+b1 install ok installed liblzma5:amd64 liblzma5 5.1.1alpha+20120614-2+b3 install ok installed libmount1:amd64 libmount1 2.25.2-6 install ok installed libncurses5:amd64 libncurses5 5.9+20140913-1+deb8u3 install ok installed libncursesw5:amd64 libncursesw5 5.9+20140913-1+deb8u3 install ok installed libnuma1:amd64 libnuma1 2.0.10-1 install ok installed libopenmpi1.6 libopenmpi1.6 1.6.5-9.1+deb8u1 install ok installed libpam-modules:amd64 libpam-modules 1.1.8-3.1+deb8u2+b1 install ok installed libpam-modules-bin libpam-modules-bin 1.1.8-3.1+deb8u2+b1 install ok installed libpam-runtime libpam-runtime 1.1.8-3.1+deb8u2 install ok installed libpam0g:amd64 libpam0g 1.1.8-3.1+deb8u2+b1 install ok installed libpcre3:amd64 libpcre3 2:8.35-3.3+deb8u4 install ok installed libprocps3:amd64 libprocps3 2:3.3.9-9+deb8u1 install ok installed libpython2.7:amd64 libpython2.7 2.7.9-2+deb8u5 install ok installed libpython2.7-minimal:amd64 libpython2.7-minimal 2.7.9-2+deb8u5 install ok installed libpython2.7-stdlib:amd64 libpython2.7-stdlib 2.7.9-2+deb8u5 install ok installed libquadmath0:amd64 libquadmath0 4.9.2-10+deb8u2 install ok installed libreadline6:amd64 libreadline6 6.3-8+b3 install ok installed libselinux1:amd64 libselinux1 2.3-2 install ok installed libsemanage-common libsemanage-common 2.3-1 install ok installed libsemanage1:amd64 libsemanage1 2.3-1+b1 install ok installed libsepol1:amd64 libsepol1 2.3-2 install ok installed libslang2:amd64 libslang2 2.3.0-2 install ok installed libsmartcols1:amd64 libsmartcols1 2.25.2-6 install ok installed libsqlite3-0:amd64 libsqlite3-0 3.8.7.1-1+deb8u6 install ok installed libss2:amd64 libss2 1.42.12-2+deb8u2 install ok installed libssl1.0.0:amd64 libssl1.0.0 1.0.1t-1+deb8u12 install ok installed libstdc++6:amd64 libstdc++6 4.9.2-10+deb8u2 install ok installed libsystemd0:amd64 libsystemd0 215-17+deb8u13 install ok installed libtext-charwidth-perl libtext-charwidth-perl 0.04-7+b3 install ok installed libtext-iconv-perl libtext-iconv-perl 1.7-5+b2 install ok installed libtext-wrapi18n-perl libtext-wrapi18n-perl 0.06-7 install ok installed libtinfo5:amd64 libtinfo5 5.9+20140913-1+deb8u3 install ok installed libudev1:amd64 libudev1 215-17+deb8u13 install ok installed libusb-0.1-4:amd64 libusb-0.1-4 2:0.1.12-25 install ok installed libustr-1.0-1:amd64 libustr-1.0-1 1.0.4-3+b2 install ok installed libuuid1:amd64 libuuid1 2.25.2-6 install ok installed login login 1:4.2-3+deb8u4 install ok installed lsb-base lsb-base 4.1+Debian13+nmu1 install ok installed mawk mawk 1.3.3-17 install ok installed mime-support mime-support 3.58 install ok installed mount mount 2.25.2-6 install ok installed mpi-default-bin mpi-default-bin 1.0.2+nmu2 install ok installed multiarch-support multiarch-support 2.19-18+deb8u10 install ok installed ncurses-base ncurses-base 5.9+20140913-1+deb8u3 install ok installed ncurses-bin ncurses-bin 5.9+20140913-1+deb8u3 install ok installed nwchem nwchem 6.5+r26243-4 install ok installed nwchem-data nwchem-data 6.5+r26243-4 install ok installed openmpi-bin openmpi-bin 1.6.5-9.1+deb8u1 install ok installed openmpi-common openmpi-common 1.6.5-9.1+deb8u1 install ok installed passwd passwd 1:4.2-3+deb8u4 install ok installed perl-base perl-base 5.20.2-3+deb8u12 install ok installed procps procps 2:3.3.9-9+deb8u1 install ok installed readline-common readline-common 6.3-8 install ok installed sed sed 4.2.2-4+deb8u1 install ok installed sensible-utils sensible-utils 0.0.9+deb8u1 install ok installed startpar startpar 0.59-3 install ok installed systemd systemd 215-17+deb8u13 install ok installed systemd-sysv systemd-sysv 215-17+deb8u13 install ok installed sysv-rc sysv-rc 2.88dsf-59 install ok installed sysvinit-utils sysvinit-utils 2.88dsf-59 install ok installed tar tar 1.27.1-2+deb8u2 install ok installed tzdata tzdata 2019c-0+deb8u1 install ok installed ucf ucf 3.0030 install ok installed udev udev 215-17+deb8u13 install ok installed util-linux util-linux 2.25.2-6 install ok installed zlib1g:amd64 zlib1g 1:1.2.8.dfsg-2+deb8u1 0m23.4s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'dpkg-query', '-W', '-f', '${Status}\\t${binary:Package}\\t${Package}\\t${Version}\\n'] 0m23.4s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-get', 'remove', 'libcr0', 'libexpat1:amd64', 'libffi6:amd64', 'libgfortran3:amd64', 'libhwloc5:amd64', 'libibverbs1', 'libltdl7:amd64', 'libnuma1:amd64', 'libopenmpi1.6', 'libpython2.7:amd64', 'libpython2.7-minimal:amd64', 'libpython2.7-stdlib:amd64', 'libquadmath0:amd64', 'libsqlite3-0:amd64', 'libssl1.0.0:amd64', 'mime-support', 'mpi-default-bin', 'nwchem-data', 'openmpi-bin', 'openmpi-common', 'nwchem'] 0m24.0s DUMP: Reading package lists... Building dependency tree... Reading state information... The following packages will be REMOVED: libcr0 libexpat1 libffi6 libgfortran3 libhwloc5 libibverbs1 libltdl7 libnuma1 libopenmpi1.6 libpython2.7 libpython2.7-minimal libpython2.7-stdlib libquadmath0 libsqlite3-0 libssl1.0.0 mime-support mpi-default-bin nwchem nwchem-data openmpi-bin openmpi-common 0 upgraded, 0 newly installed, 21 to remove and 0 not upgraded. After this operation, 138 MB disk space will be freed. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 10015 files and directories currently installed.) Removing nwchem (6.5+r26243-4) ... Removing mpi-default-bin (1.0.2+nmu2) ... Removing openmpi-bin (1.6.5-9.1+deb8u1) ... Removing libopenmpi1.6 (1.6.5-9.1+deb8u1) ... Removing libcr0 (0.8.5-2.2) ... Removing libpython2.7:amd64 (2.7.9-2+deb8u5) ... Removing libpython2.7-stdlib:amd64 (2.7.9-2+deb8u5) ... Removing libexpat1:amd64 (2.1.0-6+deb8u6) ... Removing libffi6:amd64 (3.1-2+deb8u1) ... Removing libgfortran3:amd64 (4.9.2-10+deb8u2) ... Removing libhwloc5:amd64 (1.10.0-3) ... Removing libibverbs1 (1.1.8-1.1) ... Removing libltdl7:amd64 (2.4.2-1.11+b1) ... Removing libnuma1:amd64 (2.0.10-1) ... Removing libpython2.7-minimal:amd64 (2.7.9-2+deb8u5) ... Removing libquadmath0:amd64 (4.9.2-10+deb8u2) ... Removing libsqlite3-0:amd64 (3.8.7.1-1+deb8u6) ... Removing libssl1.0.0:amd64 (1.0.1t-1+deb8u12) ... Removing mime-support (3.58) ... Removing nwchem-data (6.5+r26243-4) ... Removing openmpi-common (1.6.5-9.1+deb8u1) ... Processing triggers for libc-bin (2.19-18+deb8u10) ... 0m24.0s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-get', 'remove', 'libcr0', 'libexpat1:amd64', 'libffi6:amd64', 'libgfortran3:amd64', 'libhwloc5:amd64', 'libibverbs1', 'libltdl7:amd64', 'libnuma1:amd64', 'libopenmpi1.6', 'libpython2.7:amd64', 'libpython2.7-minimal:amd64', 'libpython2.7-stdlib:amd64', 'libquadmath0:amd64', 'libsqlite3-0:amd64', 'libssl1.0.0:amd64', 'mime-support', 'mpi-default-bin', 'nwchem-data', 'openmpi-bin', 'openmpi-common', 'nwchem'] 0m24.0s INFO: Running scripts post_remove 0m24.0s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_remove_exceptions'] 0m24.0s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_remove_exceptions'] 0m24.0s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'dpkg', '--purge', 'libcr0', 'libexpat1:amd64', 'libffi6:amd64', 'libgfortran3:amd64', 'libhwloc5:amd64', 'libibverbs1', 'libltdl7:amd64', 'libnuma1:amd64', 'libopenmpi1.6', 'libpython2.7:amd64', 'libpython2.7-minimal:amd64', 'libpython2.7-stdlib:amd64', 'libquadmath0:amd64', 'libsqlite3-0:amd64', 'libssl1.0.0:amd64', 'mime-support', 'mpi-default-bin', 'nwchem-data', 'openmpi-bin', 'openmpi-common'] 0m24.2s DUMP: (Reading database ... 7480 files and directories currently installed.) Removing libcr0 (0.8.5-2.2) ... Purging configuration files for libcr0 (0.8.5-2.2) ... Removing libexpat1:amd64 (2.1.0-6+deb8u6) ... Purging configuration files for libexpat1:amd64 (2.1.0-6+deb8u6) ... Removing libffi6:amd64 (3.1-2+deb8u1) ... Purging configuration files for libffi6:amd64 (3.1-2+deb8u1) ... Removing libgfortran3:amd64 (4.9.2-10+deb8u2) ... Purging configuration files for libgfortran3:amd64 (4.9.2-10+deb8u2) ... Removing libhwloc5:amd64 (1.10.0-3) ... Purging configuration files for libhwloc5:amd64 (1.10.0-3) ... Removing libibverbs1 (1.1.8-1.1) ... Purging configuration files for libibverbs1 (1.1.8-1.1) ... Removing libltdl7:amd64 (2.4.2-1.11+b1) ... Purging configuration files for libltdl7:amd64 (2.4.2-1.11+b1) ... Removing libnuma1:amd64 (2.0.10-1) ... Purging configuration files for libnuma1:amd64 (2.0.10-1) ... Removing libopenmpi1.6 (1.6.5-9.1+deb8u1) ... Purging configuration files for libopenmpi1.6 (1.6.5-9.1+deb8u1) ... Removing libpython2.7:amd64 (2.7.9-2+deb8u5) ... Purging configuration files for libpython2.7:amd64 (2.7.9-2+deb8u5) ... Removing libpython2.7-minimal:amd64 (2.7.9-2+deb8u5) ... Purging configuration files for libpython2.7-minimal:amd64 (2.7.9-2+deb8u5) ... dpkg: warning: ignoring request to remove libpython2.7-stdlib which isn't installed Removing libquadmath0:amd64 (4.9.2-10+deb8u2) ... Purging configuration files for libquadmath0:amd64 (4.9.2-10+deb8u2) ... Removing libsqlite3-0:amd64 (3.8.7.1-1+deb8u6) ... Purging configuration files for libsqlite3-0:amd64 (3.8.7.1-1+deb8u6) ... Removing libssl1.0.0:amd64 (1.0.1t-1+deb8u12) ... Purging configuration files for libssl1.0.0:amd64 (1.0.1t-1+deb8u12) ... Removing mime-support (3.58) ... Purging configuration files for mime-support (3.58) ... dpkg: warning: ignoring request to remove mpi-default-bin which isn't installed dpkg: warning: ignoring request to remove nwchem-data which isn't installed Removing openmpi-bin (1.6.5-9.1+deb8u1) ... Purging configuration files for openmpi-bin (1.6.5-9.1+deb8u1) ... dpkg: warning: ignoring request to remove openmpi-common which isn't installed 0m24.2s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'dpkg', '--purge', 'libcr0', 'libexpat1:amd64', 'libffi6:amd64', 'libgfortran3:amd64', 'libhwloc5:amd64', 'libibverbs1', 'libltdl7:amd64', 'libnuma1:amd64', 'libopenmpi1.6', 'libpython2.7:amd64', 'libpython2.7-minimal:amd64', 'libpython2.7-stdlib:amd64', 'libquadmath0:amd64', 'libsqlite3-0:amd64', 'libssl1.0.0:amd64', 'mime-support', 'mpi-default-bin', 'nwchem-data', 'openmpi-bin', 'openmpi-common'] 0m24.2s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'dpkg', '--purge', 'nwchem'] 0m24.2s DUMP: dpkg: warning: ignoring request to remove nwchem which isn't installed 0m24.2s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'dpkg', '--purge', 'nwchem'] 0m24.2s INFO: Running scripts post_purge 0m24.2s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_purge_exceptions'] 0m24.2s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_purge_exceptions'] 0m24.2s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'dpkg', '--purge', '--pending'] 0m24.2s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'dpkg', '--purge', '--pending'] 0m24.2s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'dpkg', '--remove', '--pending'] 0m24.2s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'dpkg', '--remove', '--pending'] 0m24.2s INFO: Running scripts post_test 0m24.2s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_test_exceptions'] 0m24.2s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'tmp/scripts/post_test_exceptions'] 0m24.2s DEBUG: Starting command: ['lsof', '-w', '+D', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi'] 0m24.6s DEBUG: Command failed (status=1), but ignoring error: ['lsof', '-w', '+D', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi'] 0m24.6s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'dpkg-divert', '--list'] 0m24.6s DUMP: local diversion of /bin/sync to /bin/sync.distrib diversion of /usr/share/man/man1/sh.1.gz to /usr/share/man/man1/sh.distrib.1.gz by dash local diversion of /home to /home.distrib diversion of /bin/sh to /bin/sh.distrib by dash 0m24.6s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'dpkg-divert', '--list'] 0m24.6s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-get', 'clean'] 0m24.6s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi', 'apt-get', 'clean'] 0m24.6s DEBUG: Recording chroot state 0m25.5s DEBUG: Starting command: ['umount', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi/dev/shm'] 0m25.5s DEBUG: Command ok: ['umount', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi/dev/shm'] 0m25.5s DEBUG: Starting command: ['umount', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi/dev/console'] 0m25.5s DEBUG: Command ok: ['umount', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi/dev/console'] 0m25.5s DEBUG: Starting command: ['umount', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi/dev/ptmx'] 0m25.6s DEBUG: Command ok: ['umount', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi/dev/ptmx'] 0m25.6s DEBUG: Starting command: ['umount', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi/dev/pts'] 0m25.6s DEBUG: Command ok: ['umount', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi/dev/pts'] 0m25.6s DEBUG: Starting command: ['umount', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi/proc'] 0m25.6s DEBUG: Command ok: ['umount', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi/proc'] 0m25.6s DEBUG: Starting command: ['rm', '-rf', '--one-file-system', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi'] 0m25.7s DEBUG: Command ok: ['rm', '-rf', '--one-file-system', '/srv/piuparts.debian.org/tmp/tmph8t9uhpi'] 0m25.7s DEBUG: Removed directory tree at /srv/piuparts.debian.org/tmp/tmph8t9uhpi 0m25.7s INFO: PASS: Upgrading between Debian distributions. 0m25.7s INFO: PASS: All tests. 0m25.7s INFO: piuparts run ends. ret=0 End: 2022-11-15 12:01:35 GMT