RUN: /usr/share/launchpad-buildd/slavebin/slave-prep ['slave-prep'] Forking launchpad-buildd slave process... Kernel version: Linux lgw01-12 3.19.0-28-generic #30~14.04.1-Ubuntu SMP Tue Sep 1 09:32:55 UTC 2015 x86_64 Buildd toolchain package versions: launchpad-buildd_133 python-lpbuildd_133 sbuild_0.65.2-1ubuntu2~ubuntu14.04.1~ppa6 bzr-builder_0.7.3+bzr174~ppa13~ubuntu14.04.1 bzr_2.6.0+bzr6593-1ubuntu1.1 dpkg-dev_1.17.5ubuntu5.4 python-debian_0.1.27ubuntu1~ubuntu14.04.1~ppa1. Syncing the system clock with the buildd NTP service... 9 Sep 11:46:28 ntpdate[1650]: adjust time server 10.211.37.1 offset -0.000039 sec RUN: /usr/share/launchpad-buildd/slavebin/unpack-chroot ['unpack-chroot', 'PACKAGEBUILD-7889858', '/home/buildd/filecache-default/e932d6a8ef5222a86281ff9bcc6696f79f9ecaa4'] Unpacking chroot for build PACKAGEBUILD-7889858 RUN: /usr/share/launchpad-buildd/slavebin/mount-chroot ['mount-chroot', 'PACKAGEBUILD-7889858'] Mounting chroot for build PACKAGEBUILD-7889858 RUN: /usr/share/launchpad-buildd/slavebin/override-sources-list ['override-sources-list', 'PACKAGEBUILD-7889858', 'deb http://ppa.launchpad.net/ginggs/backports/ubuntu vivid main', 'deb http://ftpmaster.internal/ubuntu vivid main restricted universe multiverse', 'deb http://ftpmaster.internal/ubuntu vivid-security main restricted universe multiverse', 'deb http://ftpmaster.internal/ubuntu vivid-updates main restricted universe multiverse', 'deb http://ftpmaster.internal/ubuntu vivid-proposed main restricted universe multiverse'] Overriding sources.list in build-PACKAGEBUILD-7889858 RUN: /usr/share/launchpad-buildd/slavebin/update-debian-chroot ['update-debian-chroot', 'PACKAGEBUILD-7889858', 'amd64'] Updating debian chroot for build PACKAGEBUILD-7889858 Ign http://ppa.launchpad.net vivid InRelease Get:1 http://ppa.launchpad.net vivid Release.gpg [316 B] Get:2 http://ppa.launchpad.net vivid Release [15.1 kB] Ign http://ppa.launchpad.net vivid Release Get:3 http://ppa.launchpad.net vivid/main amd64 Packages [2046 B] Get:4 http://ppa.launchpad.net vivid/main Translation-en [1399 B] Ign http://ftpmaster.internal vivid InRelease Ign http://ftpmaster.internal vivid-security InRelease Ign http://ftpmaster.internal vivid-updates InRelease Ign http://ftpmaster.internal vivid-proposed InRelease Hit http://ftpmaster.internal vivid Release.gpg Get:5 http://ftpmaster.internal vivid-security Release.gpg [933 B] Get:6 http://ftpmaster.internal vivid-updates Release.gpg [933 B] Get:7 http://ftpmaster.internal vivid-proposed Release.gpg [933 B] Hit http://ftpmaster.internal vivid Release Get:8 http://ftpmaster.internal vivid-security Release [63.5 kB] Get:9 http://ftpmaster.internal vivid-updates Release [63.5 kB] Get:10 http://ftpmaster.internal vivid-proposed Release [217 kB] Hit http://ftpmaster.internal vivid/main amd64 Packages Hit http://ftpmaster.internal vivid/restricted amd64 Packages Hit http://ftpmaster.internal vivid/universe amd64 Packages Hit http://ftpmaster.internal vivid/multiverse amd64 Packages Hit http://ftpmaster.internal vivid/main Translation-en Hit http://ftpmaster.internal vivid/multiverse Translation-en Hit http://ftpmaster.internal vivid/restricted Translation-en Hit http://ftpmaster.internal vivid/universe Translation-en Get:11 http://ftpmaster.internal vivid-security/main amd64 Packages [114 kB] Get:12 http://ftpmaster.internal vivid-security/restricted amd64 Packages [28 B] Get:13 http://ftpmaster.internal vivid-security/universe amd64 Packages [52.8 kB] Get:14 http://ftpmaster.internal vivid-security/multiverse amd64 Packages [3496 B] Get:15 http://ftpmaster.internal vivid-security/main Translation-en [60.0 kB] Get:16 http://ftpmaster.internal vivid-security/multiverse Translation-en [1580 B] Get:17 http://ftpmaster.internal vivid-security/restricted Translation-en [14 B] Get:18 http://ftpmaster.internal vivid-security/universe Translation-en [33.2 kB] Get:19 http://ftpmaster.internal vivid-updates/main amd64 Packages [195 kB] Get:20 http://ftpmaster.internal vivid-updates/restricted amd64 Packages [3283 B] Get:21 http://ftpmaster.internal vivid-updates/universe amd64 Packages [101 kB] Get:22 http://ftpmaster.internal vivid-updates/multiverse amd64 Packages [3496 B] Get:23 http://ftpmaster.internal vivid-updates/main Translation-en [95.5 kB] Get:24 http://ftpmaster.internal vivid-updates/multiverse Translation-en [1580 B] Get:25 http://ftpmaster.internal vivid-updates/restricted Translation-en [569 B] Get:26 http://ftpmaster.internal vivid-updates/universe Translation-en [60.1 kB] Get:27 http://ftpmaster.internal vivid-proposed/main amd64 Packages [65.6 kB] Get:28 http://ftpmaster.internal vivid-proposed/restricted amd64 Packages [28 B] Get:29 http://ftpmaster.internal vivid-proposed/universe amd64 Packages [19.0 kB] Get:30 http://ftpmaster.internal vivid-proposed/multiverse amd64 Packages [551 B] Get:31 http://ftpmaster.internal vivid-proposed/main Translation-en [21.6 kB] Get:32 http://ftpmaster.internal vivid-proposed/multiverse Translation-en [374 B] Get:33 http://ftpmaster.internal vivid-proposed/restricted Translation-en [28 B] Get:34 http://ftpmaster.internal vivid-proposed/universe Translation-en [15.8 kB] Fetched 1214 kB in 2s (493 kB/s) Reading package lists... W: GPG error: http://ppa.launchpad.net vivid Release: The following signatures couldn't be verified because the public key is not available: NO_PUBKEY B5F195D208CC41D2 Reading package lists... Building dependency tree... Reading state information... The following packages will be upgraded: apt apt-transport-https bsdutils ca-certificates libapt-pkg4.12 libblkid1 libcurl3-gnutls libgnutls-deb0-28 libldap-2.4-2 libmount1 libpcre3 libsmartcols1 libsqlite3-0 libssl1.0.0 libsystemd0 libtasn1-6 libudev1 libuuid1 linux-libc-dev login mount openssl passwd pkg-create-dbgsym systemd systemd-sysv tzdata udev util-linux 29 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. Need to get 12.6 MB of archives. After this operation, 76.8 kB of additional disk space will be used. Get:1 http://ftpmaster.internal/ubuntu/ vivid-updates/main bsdutils amd64 1:2.25.2-4ubuntu3 [44.7 kB] Get:2 http://ftpmaster.internal/ubuntu/ vivid-proposed/main login amd64 1:4.1.5.1-1.1ubuntu4.1 [302 kB] Get:3 http://ftpmaster.internal/ubuntu/ vivid-updates/main mount amd64 2.25.2-4ubuntu3 [118 kB] Get:4 http://ftpmaster.internal/ubuntu/ vivid-security/main tzdata all 2015f-0ubuntu0.15.04 [178 kB] Get:5 http://ftpmaster.internal/ubuntu/ vivid-updates/main util-linux amd64 2.25.2-4ubuntu3 [796 kB] Get:6 http://ftpmaster.internal/ubuntu/ vivid-proposed/main libapt-pkg4.12 amd64 1.0.9.7ubuntu4.2 [682 kB] Get:7 http://ftpmaster.internal/ubuntu/ vivid-proposed/main apt amd64 1.0.9.7ubuntu4.2 [1005 kB] Get:8 http://ftpmaster.internal/ubuntu/ vivid-proposed/main passwd amd64 1:4.1.5.1-1.1ubuntu4.1 [759 kB] Get:9 http://ftpmaster.internal/ubuntu/ vivid-updates/main libuuid1 amd64 2.25.2-4ubuntu3 [15.3 kB] Get:10 http://ftpmaster.internal/ubuntu/ vivid-updates/main libblkid1 amd64 2.25.2-4ubuntu3 [104 kB] Get:11 http://ftpmaster.internal/ubuntu/ vivid-updates/main libmount1 amd64 2.25.2-4ubuntu3 [111 kB] Get:12 http://ftpmaster.internal/ubuntu/ vivid-security/main libpcre3 amd64 2:8.35-3.3ubuntu1.1 [222 kB] Get:13 http://ftpmaster.internal/ubuntu/ vivid-updates/main libsmartcols1 amd64 2.25.2-4ubuntu3 [60.5 kB] Get:14 http://ftpmaster.internal/ubuntu/ vivid-updates/main libudev1 amd64 219-7ubuntu6 [40.9 kB] Get:15 http://ftpmaster.internal/ubuntu/ vivid-updates/main udev amd64 219-7ubuntu6 [929 kB] Get:16 http://ftpmaster.internal/ubuntu/ vivid-updates/main libsystemd0 amd64 219-7ubuntu6 [73.8 kB] Get:17 http://ftpmaster.internal/ubuntu/ vivid-updates/main systemd amd64 219-7ubuntu6 [3530 kB] Get:18 http://ftpmaster.internal/ubuntu/ vivid-updates/main systemd-sysv amd64 219-7ubuntu6 [14.0 kB] Get:19 http://ftpmaster.internal/ubuntu/ vivid-security/main libtasn1-6 amd64 4.2-2ubuntu1.1 [42.4 kB] Get:20 http://ftpmaster.internal/ubuntu/ vivid-security/main libgnutls-deb0-28 amd64 3.3.8-3ubuntu3.1 [516 kB] Get:21 http://ftpmaster.internal/ubuntu/ vivid-security/main libsqlite3-0 amd64 3.8.7.4-1ubuntu0.1 [371 kB] Get:22 http://ftpmaster.internal/ubuntu/ vivid-security/main libssl1.0.0 amd64 1.0.1f-1ubuntu11.4 [853 kB] Get:23 http://ftpmaster.internal/ubuntu/ vivid-updates/main libldap-2.4-2 amd64 2.4.31-1+nmu2ubuntu12.2 [154 kB] Get:24 http://ftpmaster.internal/ubuntu/ vivid-security/main libcurl3-gnutls amd64 7.38.0-3ubuntu2.2 [172 kB] Get:25 http://ftpmaster.internal/ubuntu/ vivid-proposed/main apt-transport-https amd64 1.0.9.7ubuntu4.2 [27.4 kB] Get:26 http://ftpmaster.internal/ubuntu/ vivid-security/main openssl amd64 1.0.1f-1ubuntu11.4 [492 kB] Get:27 http://ftpmaster.internal/ubuntu/ vivid-security/main ca-certificates all 20141019ubuntu0.15.04.1 [191 kB] Get:28 http://ftpmaster.internal/ubuntu/ vivid-security/main linux-libc-dev amd64 3.19.0-28.30 [808 kB] Get:29 http://ftpmaster.internal/ubuntu/ vivid-security/main pkg-create-dbgsym all 0.67 [8956 B] debconf: delaying package configuration, since apt-utils is not installed Fetched 12.6 MB in 2s (4267 kB/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 ... 11669 files and directories currently installed.) Preparing to unpack .../bsdutils_1%3a2.25.2-4ubuntu3_amd64.deb ... Unpacking bsdutils (1:2.25.2-4ubuntu3) over (1:2.25.2-4ubuntu2) ... Setting up bsdutils (1:2.25.2-4ubuntu3) ... (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 ... 11669 files and directories currently installed.) Preparing to unpack .../libudev1_219-7ubuntu6_amd64.deb ... Unpacking libudev1:amd64 (219-7ubuntu6) over (219-7ubuntu3) ... Setting up libudev1:amd64 (219-7ubuntu6) ... Processing triggers for libc-bin (2.21-0ubuntu4) ... (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 ... 11672 files and directories currently installed.) Preparing to unpack .../libtasn1-6_4.2-2ubuntu1.1_amd64.deb ... Unpacking libtasn1-6:amd64 (4.2-2ubuntu1.1) over (4.2-2ubuntu1) ... Preparing to unpack .../libgnutls-deb0-28_3.3.8-3ubuntu3.1_amd64.deb ... Unpacking libgnutls-deb0-28:amd64 (3.3.8-3ubuntu3.1) over (3.3.8-3ubuntu3) ... Preparing to unpack .../libsqlite3-0_3.8.7.4-1ubuntu0.1_amd64.deb ... 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Preparing to unpack .../linux-libc-dev_3.19.0-28.30_amd64.deb ... Unpacking linux-libc-dev:amd64 (3.19.0-28.30) over (3.19.0-15.15) ... Preparing to unpack .../pkg-create-dbgsym_0.67_all.deb ... Unpacking pkg-create-dbgsym (0.67) over (0.65) ... Setting up libtasn1-6:amd64 (4.2-2ubuntu1.1) ... Setting up libgnutls-deb0-28:amd64 (3.3.8-3ubuntu3.1) ... Setting up libsqlite3-0:amd64 (3.8.7.4-1ubuntu0.1) ... Setting up libssl1.0.0:amd64 (1.0.1f-1ubuntu11.4) ... Setting up libldap-2.4-2:amd64 (2.4.31-1+nmu2ubuntu12.2) ... Setting up libcurl3-gnutls:amd64 (7.38.0-3ubuntu2.2) ... Setting up apt-transport-https (1.0.9.7ubuntu4.2) ... Setting up openssl (1.0.1f-1ubuntu11.4) ... Setting up ca-certificates (20141019ubuntu0.15.04.1) ... Setting up linux-libc-dev:amd64 (3.19.0-28.30) ... Setting up pkg-create-dbgsym (0.67) ... Processing triggers for libc-bin (2.21-0ubuntu4) ... Processing triggers for ca-certificates (20141019ubuntu0.15.04.1) ... Updating certificates in /etc/ssl/certs... 0 added, 0 removed; done. Running hooks in /etc/ca-certificates/update.d....done. RUN: /usr/share/launchpad-buildd/slavebin/sbuild-package ['sbuild-package', 'PACKAGEBUILD-7889858', 'amd64', 'vivid', '-c', 'chroot:autobuild', '--arch=amd64', '--dist=vivid', '--purge=never', '--nolog', '-A', 'chemps2_1.6-1~ubuntu15.04.1~ppa1.dsc'] Initiating build PACKAGEBUILD-7889858 with 4 jobs across 4 processor cores. Kernel reported to sbuild: 3.19.0-28-generic #30~14.04.1-Ubuntu SMP Tue Sep 1 09:32:55 UTC 2015 x86_64 sbuild (Debian sbuild) 0.65.2 (24 Mar 2015) on lgw01-12.buildd ╔══════════════════════════════════════════════════════════════════════════════╗ ║ chemps2 1.6-1~ubuntu15.04.1~ppa1 (amd64) 09 Sep 2015 11:46 ║ ╚══════════════════════════════════════════════════════════════════════════════╝ Package: chemps2 Version: 1.6-1~ubuntu15.04.1~ppa1 Source Version: 1.6-1~ubuntu15.04.1~ppa1 Distribution: vivid Machine Architecture: amd64 Host Architecture: amd64 Build Architecture: amd64 I: NOTICE: Log filtering will replace 'build/chemps2-ZOQdHq/chemps2-1.6' with '«PKGBUILDDIR»' I: NOTICE: Log filtering will replace 'build/chemps2-ZOQdHq' with '«BUILDDIR»' I: NOTICE: Log filtering will replace 'home/buildd/build-PACKAGEBUILD-7889858/chroot-autobuild' with '«CHROOT»' ┌──────────────────────────────────────────────────────────────────────────────┐ │ Fetch source files │ └──────────────────────────────────────────────────────────────────────────────┘ Local sources ───────────── chemps2_1.6-1~ubuntu15.04.1~ppa1.dsc exists in .; copying to chroot Check architectures ─────────────────── Check dependencies ────────────────── Merged Build-Depends: build-essential, fakeroot Filtered Build-Depends: build-essential, fakeroot dpkg-deb: building package `sbuild-build-depends-core-dummy' in `/«BUILDDIR»/resolver-NfAU8V/apt_archive/sbuild-build-depends-core-dummy.deb'. Ign file: ./ InRelease Ign file: ./ Release.gpg Get:1 file: ./ Release [2119 B] Ign file: ./ Translation-en Reading package lists... Reading package lists... ┌──────────────────────────────────────────────────────────────────────────────┐ │ Install core build dependencies (apt-based resolver) │ └──────────────────────────────────────────────────────────────────────────────┘ Installing build dependencies Reading package lists... Building dependency tree... Reading state information... The following NEW packages will be installed: sbuild-build-depends-core-dummy 0 upgraded, 1 newly installed, 0 to remove and 0 not upgraded. Need to get 0 B/818 B of archives. After this operation, 0 B of additional disk space will be used. WARNING: The following packages cannot be authenticated! sbuild-build-depends-core-dummy debconf: delaying package configuration, since apt-utils is not installed Authentication warning overridden. Selecting previously unselected package sbuild-build-depends-core-dummy. (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 ... 11674 files and directories currently installed.) Preparing to unpack .../sbuild-build-depends-core-dummy.deb ... Unpacking sbuild-build-depends-core-dummy (0.invalid.0) ... Setting up sbuild-build-depends-core-dummy (0.invalid.0) ... Merged Build-Depends: base-files, base-passwd, bash, bsdutils, coreutils, dash, debianutils, diffutils, dpkg, e2fsprogs, findutils, grep, gzip, hostname, libc-bin, login, mount, ncurses-base, ncurses-bin, perl-base, sed, tar, util-linux, libc6-dev | libc-dev, gcc (>= 4:4.4.3), g++ (>= 4:4.4.3), make, dpkg-dev (>= 1.13.5), debhelper (>= 9), cmake (>= 2.8.11), libatlas-base-dev, libgsl0-dev, libhdf5-dev, dh-python, python-all (>= 2.7), python-setuptools, python-docutils, python-sphinx (>= 1.1), cython (>= 0.19), python-numpy, libpython-dev, libjs-mathjax, libjs-jquery, libjs-underscore Filtered Build-Depends: base-files, base-passwd, bash, bsdutils, coreutils, dash, debianutils, diffutils, dpkg, e2fsprogs, findutils, grep, gzip, hostname, libc-bin, login, mount, ncurses-base, ncurses-bin, perl-base, sed, tar, util-linux, libc6-dev | libc-dev, gcc (>= 4:4.4.3), g++ (>= 4:4.4.3), make, dpkg-dev (>= 1.13.5), debhelper (>= 9), cmake (>= 2.8.11), libatlas-base-dev, libgsl0-dev, libhdf5-dev, dh-python, python-all (>= 2.7), python-setuptools, python-docutils, python-sphinx (>= 1.1), cython (>= 0.19), python-numpy, libpython-dev, libjs-mathjax, libjs-jquery, libjs-underscore dpkg-deb: building package `sbuild-build-depends-chemps2-dummy' in `/«BUILDDIR»/resolver-dKmYGe/apt_archive/sbuild-build-depends-chemps2-dummy.deb'. Ign file: ./ InRelease Ign file: ./ Release.gpg Get:1 file: ./ Release [2119 B] Ign file: ./ Translation-en Reading package lists... Reading package lists... ┌──────────────────────────────────────────────────────────────────────────────┐ │ Install chemps2 build dependencies (apt-based resolver) │ └──────────────────────────────────────────────────────────────────────────────┘ Installing build dependencies Reading package lists... Building dependency tree... Reading state information... The following extra packages will be installed: bsdmainutils cmake cmake-data cython debhelper dh-apparmor dh-python docutils-common file fonts-mathjax gettext gettext-base groff-base hdf5-helpers intltool-debian libarchive13 libasprintf0c2 libatlas-base-dev libatlas-dev libatlas3-base libblas-common libblas-dev libblas3 libcroco3 libcurl3 libexpat1 libexpat1-dev libgfortran3 libglib2.0-0 libgsl0-dev libgsl0ldbl libhdf5-8 libhdf5-cpp-8 libhdf5-dev libicu52 libjpeg-dev libjpeg-turbo8 libjpeg-turbo8-dev libjpeg8 libjpeg8-dev libjs-jquery libjs-mathjax libjs-sphinxdoc libjs-underscore liblzo2-2 libmagic1 libmpdec2 libpipeline1 libpython-dev libpython-stdlib libpython2.7 libpython2.7-dev libpython2.7-minimal libpython2.7-stdlib libpython3-stdlib libpython3.4-minimal libpython3.4-stdlib libunistring0 libxml2 man-db mime-support po-debconf python python-all python-docutils python-jinja2 python-markupsafe python-minimal python-numpy python-pkg-resources python-pygments python-roman python-setuptools python-sphinx python2.7 python2.7-minimal python3 python3-minimal python3.4 python3.4-minimal sgml-base sphinx-common xml-core zlib1g-dev Suggested packages: wamerican wordlist whois vacation codeblocks eclipse ninja-build dh-make apparmor-easyprof gettext-doc groff lrzip libblas-doc liblapack-doc liblapack-dev liblapack3 gsl-ref-psdoc gsl-doc-pdf gsl-doc-info gsl-ref-html libhdf5-doc javascript-common fonts-mathjax-extras fonts-stix libjs-mathjax-doc less www-browser libmail-box-perl python-doc python-tk texlive-latex-recommended texlive-latex-base texlive-lang-french fonts-linuxlibertine ttf-linux-libertine python-jinja2-doc gfortran python-nose python-numpy-dbg python-numpy-doc python-distribute python-distribute-doc ttf-bitstream-vera dvipng texlive-latex-extra texlive-fonts-recommended python2.7-doc binfmt-support python3-doc python3-tk python3-venv python3.4-venv python3.4-doc sgml-base-doc Recommended packages: python-dev curl wget lynx-cur libasprintf-dev libgettextpo-dev libglib2.0-data shared-mime-info xdg-user-dirs libmail-sendmail-perl python-pil libpaper-utils docutils-doc python-chardet sphinx-doc The following NEW packages will be installed: bsdmainutils cmake cmake-data cython debhelper dh-apparmor dh-python docutils-common file fonts-mathjax gettext gettext-base groff-base hdf5-helpers intltool-debian libarchive13 libasprintf0c2 libatlas-base-dev libatlas-dev libatlas3-base libblas-common libblas-dev libblas3 libcroco3 libcurl3 libexpat1 libexpat1-dev libgfortran3 libglib2.0-0 libgsl0-dev libgsl0ldbl libhdf5-8 libhdf5-cpp-8 libhdf5-dev libicu52 libjpeg-dev libjpeg-turbo8 libjpeg-turbo8-dev libjpeg8 libjpeg8-dev libjs-jquery libjs-mathjax libjs-sphinxdoc libjs-underscore liblzo2-2 libmagic1 libmpdec2 libpipeline1 libpython-dev libpython-stdlib libpython2.7 libpython2.7-dev libpython2.7-minimal libpython2.7-stdlib libpython3-stdlib libpython3.4-minimal libpython3.4-stdlib libunistring0 libxml2 man-db mime-support po-debconf python python-all python-docutils python-jinja2 python-markupsafe python-minimal python-numpy python-pkg-resources python-pygments python-roman python-setuptools python-sphinx python2.7 python2.7-minimal python3 python3-minimal python3.4 python3.4-minimal sbuild-build-depends-chemps2-dummy sgml-base sphinx-common xml-core zlib1g-dev 0 upgraded, 85 newly installed, 0 to remove and 0 not upgraded. Need to get 71.4 MB/71.4 MB of archives. After this operation, 297 MB of additional disk space will be used. WARNING: The following packages cannot be authenticated! sbuild-build-depends-chemps2-dummy Authentication warning overridden. Get:1 http://ftpmaster.internal/ubuntu/ vivid-security/main libexpat1 amd64 2.1.0-6ubuntu1.1 [70.8 kB] Get:2 http://ftpmaster.internal/ubuntu/ vivid/main libmagic1 amd64 1:5.20-1ubuntu2 [208 kB] Get:3 http://ftpmaster.internal/ubuntu/ vivid/main libmpdec2 amd64 2.4.1-1 [82.7 kB] Get:4 http://ftpmaster.internal/ubuntu/ vivid/main libpython3.4-minimal amd64 3.4.3-3 [466 kB] Get:5 http://ftpmaster.internal/ubuntu/ vivid/main mime-support all 3.58ubuntu1 [31.6 kB] Get:6 http://ftpmaster.internal/ubuntu/ vivid/main libpython3.4-stdlib amd64 3.4.3-3 [2053 kB] Get:7 http://ftpmaster.internal/ubuntu/ vivid/main python3.4-minimal amd64 3.4.3-3 [1361 kB] Get:8 http://ftpmaster.internal/ubuntu/ vivid/main python3-minimal amd64 3.4.3-1 [23.4 kB] Get:9 http://ftpmaster.internal/ubuntu/ vivid/main python3.4 amd64 3.4.3-3 [178 kB] Get:10 http://ftpmaster.internal/ubuntu/ vivid/main libpython3-stdlib amd64 3.4.3-1 [6986 B] Get:11 http://ftpmaster.internal/ubuntu/ vivid/main dh-python all 1.20141111-2ubuntu1 [65.1 kB] Get:12 http://ftpmaster.internal/ubuntu/ vivid/main python3 amd64 3.4.3-1 [8830 B] Get:13 http://ftpmaster.internal/ubuntu/ vivid/main libasprintf0c2 amd64 0.19.2-2ubuntu1 [6296 B] Get:14 http://ftpmaster.internal/ubuntu/ vivid-updates/main libglib2.0-0 amd64 2.44.1-1ubuntu1 [1104 kB] Get:15 http://ftpmaster.internal/ubuntu/ vivid-security/main libicu52 amd64 52.1-8ubuntu0.1 [6785 kB] Get:16 http://ftpmaster.internal/ubuntu/ vivid/main libpipeline1 amd64 1.4.0-1 [25.2 kB] Get:17 http://ftpmaster.internal/ubuntu/ vivid/main libxml2 amd64 2.9.2+dfsg1-3 [714 kB] Get:18 http://ftpmaster.internal/ubuntu/ vivid/main groff-base amd64 1.22.3-1 [1183 kB] Get:19 http://ftpmaster.internal/ubuntu/ vivid/main bsdmainutils amd64 9.0.6ubuntu1 [175 kB] Get:20 http://ftpmaster.internal/ubuntu/ vivid/main man-db amd64 2.7.0.2-5 [863 kB] Get:21 http://ftpmaster.internal/ubuntu/ vivid/main sgml-base all 1.26+nmu4ubuntu1 [12.5 kB] Get:22 http://ftpmaster.internal/ubuntu/ vivid/main cmake-data all 3.0.2-1ubuntu2 [923 kB] Get:23 http://ftpmaster.internal/ubuntu/ vivid/main liblzo2-2 amd64 2.08-1.2 [48.7 kB] Get:24 http://ftpmaster.internal/ubuntu/ vivid/main libarchive13 amd64 3.1.2-11 [263 kB] Get:25 http://ftpmaster.internal/ubuntu/ vivid-security/main libcurl3 amd64 7.38.0-3ubuntu2.2 [180 kB] Get:26 http://ftpmaster.internal/ubuntu/ vivid/main cmake amd64 3.0.2-1ubuntu2 [2385 kB] Get:27 http://ftpmaster.internal/ubuntu/ vivid/main libcroco3 amd64 0.6.8-3 [83.2 kB] Get:28 http://ftpmaster.internal/ubuntu/ vivid/main libgfortran3 amd64 4.9.2-10ubuntu13 [260 kB] Get:29 http://ftpmaster.internal/ubuntu/ vivid/universe libhdf5-8 amd64 1.8.13+docs-15 [1030 kB] Get:30 http://ftpmaster.internal/ubuntu/ vivid/main libjpeg-turbo8 amd64 1.3.0-0ubuntu2 [104 kB] Get:31 http://ftpmaster.internal/ubuntu/ vivid/main libpython2.7-minimal amd64 2.7.9-2ubuntu3 [338 kB] Get:32 http://ftpmaster.internal/ubuntu/ vivid/main libpython2.7-stdlib amd64 2.7.9-2ubuntu3 [1850 kB] 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gettext-base amd64 0.19.2-2ubuntu1 [48.3 kB] Get:44 http://ftpmaster.internal/ubuntu/ vivid/main xml-core all 0.13+nmu2 [23.3 kB] Get:45 http://ftpmaster.internal/ubuntu/ vivid/main cython amd64 0.21.1-1 [1504 kB] Get:46 http://ftpmaster.internal/ubuntu/ vivid/main gettext amd64 0.19.2-2ubuntu1 [851 kB] Get:47 http://ftpmaster.internal/ubuntu/ vivid/main intltool-debian all 0.35.0+20060710.1 [31.6 kB] Get:48 http://ftpmaster.internal/ubuntu/ vivid/main po-debconf all 1.0.16+nmu3 [207 kB] Get:49 http://ftpmaster.internal/ubuntu/ vivid/main dh-apparmor all 2.9.1-0ubuntu9 [11.1 kB] Get:50 http://ftpmaster.internal/ubuntu/ vivid/main debhelper all 9.20150101ubuntu1 [727 kB] Get:51 http://ftpmaster.internal/ubuntu/ vivid/main docutils-common all 0.12+dfsg-1 [141 kB] Get:52 http://ftpmaster.internal/ubuntu/ vivid/universe fonts-mathjax all 2.5.1-1 [959 kB] Get:53 http://ftpmaster.internal/ubuntu/ vivid/universe hdf5-helpers amd64 1.8.13+docs-15 [12.4 kB] Get:54 http://ftpmaster.internal/ubuntu/ vivid/main libblas-common amd64 1.2.20110419-10 [3058 B] Get:55 http://ftpmaster.internal/ubuntu/ vivid/universe libatlas3-base amd64 3.10.2-7 [2668 kB] Get:56 http://ftpmaster.internal/ubuntu/ vivid/main libblas3 amd64 1.2.20110419-10 [161 kB] Get:57 http://ftpmaster.internal/ubuntu/ vivid/main libblas-dev amd64 1.2.20110419-10 [156 kB] Get:58 http://ftpmaster.internal/ubuntu/ vivid/universe libatlas-dev all 3.10.2-7 [22.6 kB] Get:59 http://ftpmaster.internal/ubuntu/ vivid/universe libatlas-base-dev amd64 3.10.2-7 [3338 kB] Get:60 http://ftpmaster.internal/ubuntu/ vivid/main libgsl0ldbl amd64 1.16+dfsg-2build1 [804 kB] Get:61 http://ftpmaster.internal/ubuntu/ vivid/main libgsl0-dev amd64 1.16+dfsg-2build1 [918 kB] Get:62 http://ftpmaster.internal/ubuntu/ vivid/universe libhdf5-cpp-8 amd64 1.8.13+docs-15 [95.3 kB] Get:63 http://ftpmaster.internal/ubuntu/ vivid/main zlib1g-dev amd64 1:1.2.8.dfsg-2ubuntu1 [169 kB] Get:64 http://ftpmaster.internal/ubuntu/ vivid/main libjpeg-turbo8-dev amd64 1.3.0-0ubuntu2 [242 kB] Get:65 http://ftpmaster.internal/ubuntu/ vivid/main libjpeg8 amd64 8c-2ubuntu8 [2194 B] Get:66 http://ftpmaster.internal/ubuntu/ vivid/main libjpeg8-dev amd64 8c-2ubuntu8 [1552 B] Get:67 http://ftpmaster.internal/ubuntu/ vivid/main libjpeg-dev amd64 8c-2ubuntu8 [1546 B] Get:68 http://ftpmaster.internal/ubuntu/ vivid/universe libhdf5-dev amd64 1.8.13+docs-15 [4344 kB] Get:69 http://ftpmaster.internal/ubuntu/ vivid/main libjs-jquery all 1.7.2+dfsg-3ubuntu2 [69.0 kB] Get:70 http://ftpmaster.internal/ubuntu/ vivid/main libjs-underscore all 1.7.0~dfsg-1ubuntu1 [46.7 kB] Get:71 http://ftpmaster.internal/ubuntu/ vivid/main libjs-sphinxdoc all 1.2.3+dfsg-1ubuntu2 [42.9 kB] Get:72 http://ftpmaster.internal/ubuntu/ vivid/main libpython-dev amd64 2.7.9-1 [7836 B] Get:73 http://ftpmaster.internal/ubuntu/ vivid/main python-all amd64 2.7.9-1 [1030 B] Get:74 http://ftpmaster.internal/ubuntu/ vivid/main python-roman all 2.0.0-1 [7758 B] Get:75 http://ftpmaster.internal/ubuntu/ vivid/main python-docutils all 0.12+dfsg-1 [348 kB] Get:76 http://ftpmaster.internal/ubuntu/ vivid/main python-markupsafe amd64 0.23-1 [15.6 kB] Get:77 http://ftpmaster.internal/ubuntu/ vivid/main python-jinja2 all 2.7.3-1 [161 kB] Get:78 http://ftpmaster.internal/ubuntu/ vivid/main python-numpy amd64 1:1.8.2-1ubuntu1 [1616 kB] Get:79 http://ftpmaster.internal/ubuntu/ vivid/main python-pkg-resources all 12.2-1 [75.6 kB] Get:80 http://ftpmaster.internal/ubuntu/ vivid/main python-pygments all 2.0.1+dfsg-1svn1 [468 kB] Get:81 http://ftpmaster.internal/ubuntu/ vivid/main python-setuptools all 12.2-1 [197 kB] Get:82 http://ftpmaster.internal/ubuntu/ vivid/main sphinx-common all 1.2.3+dfsg-1ubuntu2 [408 kB] Get:83 http://ftpmaster.internal/ubuntu/ vivid/main python-sphinx all 1.2.3+dfsg-1ubuntu2 [273 kB] Get:84 http://ftpmaster.internal/ubuntu/ vivid/universe libjs-mathjax all 2.5.1-1 [5508 kB] debconf: delaying package configuration, since apt-utils is not installed Fetched 71.4 MB in 21s (3322 kB/s) Selecting previously unselected package libexpat1: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 ... 11674 files and directories currently installed.) Preparing to unpack .../libexpat1_2.1.0-6ubuntu1.1_amd64.deb ... Unpacking libexpat1:amd64 (2.1.0-6ubuntu1.1) ... Selecting previously unselected package libmagic1:amd64. Preparing to unpack .../libmagic1_1%3a5.20-1ubuntu2_amd64.deb ... Unpacking libmagic1:amd64 (1:5.20-1ubuntu2) ... Selecting previously unselected package libmpdec2:amd64. 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Preparing to unpack .../sbuild-build-depends-chemps2-dummy.deb ... Unpacking sbuild-build-depends-chemps2-dummy (0.invalid.0) ... Setting up libmagic1:amd64 (1:5.20-1ubuntu2) ... Setting up libmpdec2:amd64 (2.4.1-1) ... Setting up mime-support (3.58ubuntu1) ... Setting up libpython3.4-stdlib:amd64 (3.4.3-3) ... Setting up python3.4 (3.4.3-3) ... Setting up libpython3-stdlib:amd64 (3.4.3-1) ... Setting up libasprintf0c2:amd64 (0.19.2-2ubuntu1) ... Setting up libglib2.0-0:amd64 (2.44.1-1ubuntu1) ... No schema files found: doing nothing. Setting up libicu52:amd64 (52.1-8ubuntu0.1) ... Setting up libpipeline1:amd64 (1.4.0-1) ... Setting up libxml2:amd64 (2.9.2+dfsg1-3) ... Setting up groff-base (1.22.3-1) ... Setting up bsdmainutils (9.0.6ubuntu1) ... update-alternatives: using /usr/bin/bsd-write to provide /usr/bin/write (write) in auto mode update-alternatives: using /usr/bin/bsd-from to provide /usr/bin/from (from) in auto mode Setting up man-db (2.7.0.2-5) ... Not building database; man-db/auto-update is not 'true'. Setting up sgml-base (1.26+nmu4ubuntu1) ... Setting up cmake-data (3.0.2-1ubuntu2) ... Setting up liblzo2-2:amd64 (2.08-1.2) ... Setting up libarchive13:amd64 (3.1.2-11) ... Setting up libcurl3:amd64 (7.38.0-3ubuntu2.2) ... Setting up cmake (3.0.2-1ubuntu2) ... Setting up libcroco3:amd64 (0.6.8-3) ... Setting up libgfortran3:amd64 (4.9.2-10ubuntu13) ... Setting up libhdf5-8:amd64 (1.8.13+docs-15) ... Setting up libjpeg-turbo8:amd64 (1.3.0-0ubuntu2) ... Setting up libpython2.7-stdlib:amd64 (2.7.9-2ubuntu3) ... Setting up libpython2.7:amd64 (2.7.9-2ubuntu3) ... Setting up libexpat1-dev:amd64 (2.1.0-6ubuntu1.1) ... Setting up libpython2.7-dev:amd64 (2.7.9-2ubuntu3) ... Setting up libunistring0:amd64 (0.9.3-5.2ubuntu1) ... Setting up python2.7 (2.7.9-2ubuntu3) ... Setting up libpython-stdlib:amd64 (2.7.9-1) ... Setting up python (2.7.9-1) ... Setting up file (1:5.20-1ubuntu2) ... Setting up gettext-base (0.19.2-2ubuntu1) ... Setting up xml-core (0.13+nmu2) ... Setting up cython (0.21.1-1) ... Setting up gettext (0.19.2-2ubuntu1) ... Setting up intltool-debian (0.35.0+20060710.1) ... Setting up po-debconf (1.0.16+nmu3) ... Setting up dh-apparmor (2.9.1-0ubuntu9) ... Setting up debhelper (9.20150101ubuntu1) ... Setting up fonts-mathjax (2.5.1-1) ... Setting up hdf5-helpers (1.8.13+docs-15) ... Setting up libblas-common (1.2.20110419-10) ... Setting up libatlas3-base (3.10.2-7) ... update-alternatives: using /usr/lib/atlas-base/atlas/libblas.so.3 to provide /usr/lib/libblas.so.3 (libblas.so.3) in auto mode update-alternatives: using /usr/lib/atlas-base/atlas/liblapack.so.3 to provide /usr/lib/liblapack.so.3 (liblapack.so.3) in auto mode Setting up libblas3 (1.2.20110419-10) ... Setting up libblas-dev (1.2.20110419-10) ... update-alternatives: using /usr/lib/libblas/libblas.so to provide /usr/lib/libblas.so (libblas.so) in auto mode Setting up libatlas-dev (3.10.2-7) ... Setting up libatlas-base-dev (3.10.2-7) ... update-alternatives: using /usr/lib/atlas-base/atlas/libblas.so to provide /usr/lib/libblas.so (libblas.so) in auto mode update-alternatives: using /usr/lib/atlas-base/atlas/liblapack.so to provide /usr/lib/liblapack.so (liblapack.so) in auto mode Setting up libgsl0ldbl (1.16+dfsg-2build1) ... Setting up libgsl0-dev (1.16+dfsg-2build1) ... Setting up libhdf5-cpp-8:amd64 (1.8.13+docs-15) ... Setting up zlib1g-dev:amd64 (1:1.2.8.dfsg-2ubuntu1) ... Setting up libjpeg-turbo8-dev:amd64 (1.3.0-0ubuntu2) ... Setting up libjpeg8:amd64 (8c-2ubuntu8) ... Setting up libjpeg8-dev:amd64 (8c-2ubuntu8) ... Setting up libjpeg-dev:amd64 (8c-2ubuntu8) ... Setting up libhdf5-dev (1.8.13+docs-15) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/pkgconfig/hdf5-serial.pc to provide /usr/lib/x86_64-linux-gnu/pkgconfig/hdf5.pc (hdf5.pc) in auto mode Setting up libjs-jquery (1.7.2+dfsg-3ubuntu2) ... Setting up libjs-underscore (1.7.0~dfsg-1ubuntu1) ... Setting up libjs-sphinxdoc (1.2.3+dfsg-1ubuntu2) ... Setting up libpython-dev:amd64 (2.7.9-1) ... Setting up python-all (2.7.9-1) ... Setting up python-roman (2.0.0-1) ... Setting up python-markupsafe (0.23-1) ... Setting up python-jinja2 (2.7.3-1) ... Setting up python-numpy (1:1.8.2-1ubuntu1) ... Setting up python-pkg-resources (12.2-1) ... Setting up python-pygments (2.0.1+dfsg-1svn1) ... Setting up python-setuptools (12.2-1) ... Setting up sphinx-common (1.2.3+dfsg-1ubuntu2) ... Setting up libjs-mathjax (2.5.1-1) ... Processing triggers for sgml-base (1.26+nmu4ubuntu1) ... Setting up docutils-common (0.12+dfsg-1) ... Processing triggers for sgml-base (1.26+nmu4ubuntu1) ... Setting up python-docutils (0.12+dfsg-1) ... update-alternatives: using /usr/share/docutils/scripts/python2/rst-buildhtml to provide /usr/bin/rst-buildhtml (rst-buildhtml) in auto mode update-alternatives: using /usr/share/docutils/scripts/python2/rst2html to provide /usr/bin/rst2html (rst2html) in auto mode update-alternatives: using /usr/share/docutils/scripts/python2/rst2latex to provide /usr/bin/rst2latex (rst2latex) in auto mode update-alternatives: using /usr/share/docutils/scripts/python2/rst2man to provide /usr/bin/rst2man (rst2man) in auto mode update-alternatives: using /usr/share/docutils/scripts/python2/rst2odt to provide /usr/bin/rst2odt (rst2odt) in auto mode update-alternatives: using /usr/share/docutils/scripts/python2/rst2odt_prepstyles to provide /usr/bin/rst2odt_prepstyles (rst2odt_prepstyles) in auto mode update-alternatives: using /usr/share/docutils/scripts/python2/rst2pseudoxml to provide /usr/bin/rst2pseudoxml (rst2pseudoxml) in auto mode update-alternatives: using /usr/share/docutils/scripts/python2/rst2s5 to provide /usr/bin/rst2s5 (rst2s5) in auto mode update-alternatives: using /usr/share/docutils/scripts/python2/rst2xetex to provide /usr/bin/rst2xetex (rst2xetex) in auto mode update-alternatives: using /usr/share/docutils/scripts/python2/rst2xml to provide /usr/bin/rst2xml (rst2xml) in auto mode update-alternatives: using /usr/share/docutils/scripts/python2/rstpep2html to provide /usr/bin/rstpep2html (rstpep2html) in auto mode Setting up python-sphinx (1.2.3+dfsg-1ubuntu2) ... Setting up dh-python (1.20141111-2ubuntu1) ... Setting up python3 (3.4.3-1) ... Setting up sbuild-build-depends-chemps2-dummy (0.invalid.0) ... Processing triggers for libc-bin (2.21-0ubuntu4) ... ┌──────────────────────────────────────────────────────────────────────────────┐ │ Build environment │ └──────────────────────────────────────────────────────────────────────────────┘ Kernel: Linux 3.19.0-28-generic amd64 (x86_64) Toolchain package versions: binutils_2.25-5ubuntu7 dpkg-dev_1.17.25ubuntu1 g++-4.9_4.9.2-10ubuntu13 gcc-4.9_4.9.2-10ubuntu13 libc6-dev_2.21-0ubuntu4 libstdc++-4.9-dev_4.9.2-10ubuntu13 libstdc++6_4.9.2-10ubuntu13 linux-libc-dev_3.19.0-28.30 Package versions: adduser_3.113+nmu3ubuntu3 advancecomp_1.19-1 apt_1.0.9.7ubuntu4.2 apt-transport-https_1.0.9.7ubuntu4.2 base-files_7.2ubuntu9 base-passwd_3.5.37 bash_4.3-11ubuntu2 binutils_2.25-5ubuntu7 bsdmainutils_9.0.6ubuntu1 bsdutils_1:2.25.2-4ubuntu3 build-essential_11.6ubuntu6 bzip2_1.0.6-7 ca-certificates_20141019ubuntu0.15.04.1 cmake_3.0.2-1ubuntu2 cmake-data_3.0.2-1ubuntu2 coreutils_8.23-3ubuntu1 cpp_4:4.9.2-2ubuntu2 cpp-4.9_4.9.2-10ubuntu13 cython_0.21.1-1 dash_0.5.7-4ubuntu1 debconf_1.5.55ubuntu2 debhelper_9.20150101ubuntu1 debianutils_4.4 dh-apparmor_2.9.1-0ubuntu9 dh-python_1.20141111-2ubuntu1 diffutils_1:3.3-1 dmsetup_2:1.02.90-2ubuntu1 docutils-common_0.12+dfsg-1 dpkg_1.17.25ubuntu1 dpkg-dev_1.17.25ubuntu1 e2fslibs_1.42.12-1ubuntu2 e2fsprogs_1.42.12-1ubuntu2 fakeroot_1.20.2-1ubuntu1 file_1:5.20-1ubuntu2 findutils_4.4.2-9build1 fonts-mathjax_2.5.1-1 g++_4:4.9.2-2ubuntu2 g++-4.9_4.9.2-10ubuntu13 gcc_4:4.9.2-2ubuntu2 gcc-4.9_4.9.2-10ubuntu13 gcc-4.9-base_4.9.2-10ubuntu13 gcc-5-base_5.1~rc1-0ubuntu1 gettext_0.19.2-2ubuntu1 gettext-base_0.19.2-2ubuntu1 gnupg_1.4.18-7ubuntu1 gpgv_1.4.18-7ubuntu1 grep_2.20-4.1 groff-base_1.22.3-1 gzip_1.6-4ubuntu1 hdf5-helpers_1.8.13+docs-15 hostname_3.15ubuntu2 init_1.22ubuntu11 initscripts_2.88dsf-53.2ubuntu12 insserv_1.14.0-5ubuntu3 intltool-debian_0.35.0+20060710.1 libacl1_2.2.52-2 libapparmor1_2.9.1-0ubuntu9 libapt-pkg4.12_1.0.9.7ubuntu4.2 libarchive13_3.1.2-11 libasan1_4.9.2-10ubuntu13 libasn1-8-heimdal_1.6~rc2+dfsg-9 libasprintf0c2_0.19.2-2ubuntu1 libatlas-base-dev_3.10.2-7 libatlas-dev_3.10.2-7 libatlas3-base_3.10.2-7 libatomic1_4.9.2-10ubuntu13 libattr1_1:2.4.47-2 libaudit-common_1:2.3.7-1ubuntu2 libaudit1_1:2.3.7-1ubuntu2 libblas-common_1.2.20110419-10 libblas-dev_1.2.20110419-10 libblas3_1.2.20110419-10 libblkid1_2.25.2-4ubuntu3 libbz2-1.0_1.0.6-7 libc-bin_2.21-0ubuntu4 libc-dev-bin_2.21-0ubuntu4 libc6_2.21-0ubuntu4 libc6-dev_2.21-0ubuntu4 libcap2_1:2.24-6 libcap2-bin_1:2.24-6 libcilkrts5_4.9.2-10ubuntu13 libcloog-isl4_0.18.2-3 libcomerr2_1.42.12-1ubuntu2 libcroco3_0.6.8-3 libcryptsetup4_2:1.6.1-1ubuntu7 libcurl3_7.38.0-3ubuntu2.2 libcurl3-gnutls_7.38.0-3ubuntu2.2 libdb5.3_5.3.28-9 libdbus-1-3_1.8.12-1ubuntu5 libdebconfclient0_0.192ubuntu1 libdevmapper1.02.1_2:1.02.90-2ubuntu1 libdpkg-perl_1.17.25ubuntu1 libexpat1_2.1.0-6ubuntu1.1 libexpat1-dev_2.1.0-6ubuntu1.1 libfakeroot_1.20.2-1ubuntu1 libffi6_3.2.1-2 libgcc-4.9-dev_4.9.2-10ubuntu13 libgcc1_1:5.1~rc1-0ubuntu1 libgcrypt20_1.6.2-4ubuntu2 libgdbm3_1.8.3-13.1 libgfortran3_4.9.2-10ubuntu13 libglib2.0-0_2.44.1-1ubuntu1 libgmp10_2:6.0.0+dfsg-6ubuntu1 libgnutls-deb0-28_3.3.8-3ubuntu3.1 libgomp1_4.9.2-10ubuntu13 libgpg-error0_1.17-3ubuntu1 libgsl0-dev_1.16+dfsg-2build1 libgsl0ldbl_1.16+dfsg-2build1 libgssapi-krb5-2_1.12.1+dfsg-18 libgssapi3-heimdal_1.6~rc2+dfsg-9 libhcrypto4-heimdal_1.6~rc2+dfsg-9 libhdf5-8_1.8.13+docs-15 libhdf5-cpp-8_1.8.13+docs-15 libhdf5-dev_1.8.13+docs-15 libheimbase1-heimdal_1.6~rc2+dfsg-9 libheimntlm0-heimdal_1.6~rc2+dfsg-9 libhogweed2_2.7.1-5 libhx509-5-heimdal_1.6~rc2+dfsg-9 libicu52_52.1-8ubuntu0.1 libidn11_1.28-1ubuntu2 libisl13_0.14-1 libitm1_4.9.2-10ubuntu13 libjpeg-dev_8c-2ubuntu8 libjpeg-turbo8_1.3.0-0ubuntu2 libjpeg-turbo8-dev_1.3.0-0ubuntu2 libjpeg8_8c-2ubuntu8 libjpeg8-dev_8c-2ubuntu8 libjs-jquery_1.7.2+dfsg-3ubuntu2 libjs-mathjax_2.5.1-1 libjs-sphinxdoc_1.2.3+dfsg-1ubuntu2 libjs-underscore_1.7.0~dfsg-1ubuntu1 libk5crypto3_1.12.1+dfsg-18 libkeyutils1_1.5.9-5ubuntu1 libkmod2_18-3ubuntu1 libkrb5-26-heimdal_1.6~rc2+dfsg-9 libkrb5-3_1.12.1+dfsg-18 libkrb5support0_1.12.1+dfsg-18 libldap-2.4-2_2.4.31-1+nmu2ubuntu12.2 liblockfile-bin_1.09-6ubuntu1 liblockfile1_1.09-6ubuntu1 liblsan0_4.9.2-10ubuntu13 liblzma5_5.1.1alpha+20120614-2ubuntu2 liblzo2-2_2.08-1.2 libmagic1_1:5.20-1ubuntu2 libmount1_2.25.2-4ubuntu3 libmpc3_1.0.3-1 libmpdec2_2.4.1-1 libmpfr4_3.1.2-3 libncurses5_5.9+20140712-2ubuntu2 libncursesw5_5.9+20140712-2ubuntu2 libnettle4_2.7.1-5 libnih-dbus1_1.0.3-4ubuntu27 libnih1_1.0.3-4ubuntu27 libp11-kit0_0.20.7-1 libpam-modules_1.1.8-3.1ubuntu3 libpam-modules-bin_1.1.8-3.1ubuntu3 libpam-runtime_1.1.8-3.1ubuntu3 libpam0g_1.1.8-3.1ubuntu3 libpcre3_2:8.35-3.3ubuntu1.1 libpipeline1_1.4.0-1 libpng12-0_1.2.51-0ubuntu3 libprocps3_1:3.3.9-1ubuntu8 libpython-dev_2.7.9-1 libpython-stdlib_2.7.9-1 libpython2.7_2.7.9-2ubuntu3 libpython2.7-dev_2.7.9-2ubuntu3 libpython2.7-minimal_2.7.9-2ubuntu3 libpython2.7-stdlib_2.7.9-2ubuntu3 libpython3-stdlib_3.4.3-1 libpython3.4-minimal_3.4.3-3 libpython3.4-stdlib_3.4.3-3 libquadmath0_4.9.2-10ubuntu13 libreadline6_6.3-8ubuntu1 libroken18-heimdal_1.6~rc2+dfsg-9 librtmp1_2.4+20131018.git79459a2-5 libsasl2-2_2.1.26.dfsg1-13 libsasl2-modules-db_2.1.26.dfsg1-13 libselinux1_2.3-2 libsemanage-common_2.3-1build1 libsemanage1_2.3-1build1 libsepol1_2.3-2 libslang2_2.3.0-2ubuntu1 libsmartcols1_2.25.2-4ubuntu3 libsqlite3-0_3.8.7.4-1ubuntu0.1 libss2_1.42.12-1ubuntu2 libssl1.0.0_1.0.1f-1ubuntu11.4 libstdc++-4.9-dev_4.9.2-10ubuntu13 libstdc++6_4.9.2-10ubuntu13 libsystemd0_219-7ubuntu6 libtasn1-6_4.2-2ubuntu1.1 libtimedate-perl_2.3000-2 libtinfo5_5.9+20140712-2ubuntu2 libtsan0_4.9.2-10ubuntu13 libubsan0_4.9.2-10ubuntu13 libudev1_219-7ubuntu6 libunistring0_0.9.3-5.2ubuntu1 libusb-0.1-4_2:0.1.12-25 libustr-1.0-1_1.0.4-3ubuntu2 libuuid1_2.25.2-4ubuntu3 libwind0-heimdal_1.6~rc2+dfsg-9 libxml2_2.9.2+dfsg1-3 linux-libc-dev_3.19.0-28.30 lockfile-progs_0.1.17 login_1:4.1.5.1-1.1ubuntu4.1 lsb-base_4.1+Debian11ubuntu8 make_4.0-8.1 man-db_2.7.0.2-5 mawk_1.3.3-17ubuntu2 mime-support_3.58ubuntu1 mount_2.25.2-4ubuntu3 multiarch-support_2.21-0ubuntu4 ncurses-base_5.9+20140712-2ubuntu2 ncurses-bin_5.9+20140712-2ubuntu2 openssl_1.0.1f-1ubuntu11.4 optipng_0.7.5-1 passwd_1:4.1.5.1-1.1ubuntu4.1 patch_2.7.5-1 perl_5.20.2-2 perl-base_5.20.2-2 perl-modules_5.20.2-2 pkg-create-dbgsym_0.67 pkgbinarymangler_121 po-debconf_1.0.16+nmu3 policyrcd-script-zg2_0.1-2 procps_1:3.3.9-1ubuntu8 python_2.7.9-1 python-all_2.7.9-1 python-docutils_0.12+dfsg-1 python-jinja2_2.7.3-1 python-markupsafe_0.23-1 python-minimal_2.7.9-1 python-numpy_1:1.8.2-1ubuntu1 python-pkg-resources_12.2-1 python-pygments_2.0.1+dfsg-1svn1 python-roman_2.0.0-1 python-setuptools_12.2-1 python-sphinx_1.2.3+dfsg-1ubuntu2 python2.7_2.7.9-2ubuntu3 python2.7-minimal_2.7.9-2ubuntu3 python3_3.4.3-1 python3-minimal_3.4.3-1 python3.4_3.4.3-3 python3.4-minimal_3.4.3-3 readline-common_6.3-8ubuntu1 sbuild-build-depends-chemps2-dummy_0.invalid.0 sbuild-build-depends-core-dummy_0.invalid.0 sed_4.2.2-4ubuntu1 sensible-utils_0.0.9 sgml-base_1.26+nmu4ubuntu1 sphinx-common_1.2.3+dfsg-1ubuntu2 systemd_219-7ubuntu6 systemd-sysv_219-7ubuntu6 sysv-rc_2.88dsf-53.2ubuntu12 sysvinit-utils_2.88dsf-53.2ubuntu12 tar_1.27.1-2 tzdata_2015f-0ubuntu0.15.04 ubuntu-keyring_2012.05.19 udev_219-7ubuntu6 util-linux_2.25.2-4ubuntu3 xml-core_0.13+nmu2 xz-utils_5.1.1alpha+20120614-2ubuntu2 zlib1g_1:1.2.8.dfsg-2ubuntu1 zlib1g-dev_1:1.2.8.dfsg-2ubuntu1 ┌──────────────────────────────────────────────────────────────────────────────┐ │ Build │ └──────────────────────────────────────────────────────────────────────────────┘ Unpack source ───────────── gpgv: Signature made Wed Sep 9 11:43:54 2015 UTC using RSA key ID 669CE1C2 gpgv: Can't check signature: public key not found dpkg-source: warning: failed to verify signature on ./chemps2_1.6-1~ubuntu15.04.1~ppa1.dsc dpkg-source: info: extracting chemps2 in chemps2-1.6 dpkg-source: info: unpacking chemps2_1.6.orig.tar.gz dpkg-source: info: unpacking chemps2_1.6-1~ubuntu15.04.1~ppa1.debian.tar.xz Check disc space ──────────────── Sufficient free space for build User Environment ──────────────── DEB_BUILD_OPTIONS=parallel=4 HOME=/home/buildd LANG=C LOGNAME=buildd MAIL=/var/mail/buildd OLDPWD=/ PATH=/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/usr/local/games PWD=/«PKGBUILDDIR» SHELL=/bin/sh SUDO_COMMAND=/usr/sbin/chroot /«CHROOT» su buildd -s /bin/sh -c cd '/«PKGBUILDDIR»' && 'env' SUDO_GID=2501 SUDO_UID=2001 SUDO_USER=buildd TERM=unknown USER=buildd USERNAME=root dpkg-buildpackage ───────────────── dpkg-buildpackage: source package chemps2 dpkg-buildpackage: source version 1.6-1~ubuntu15.04.1~ppa1 dpkg-buildpackage: source distribution vivid dpkg-source --before-build chemps2-1.6 dpkg-buildpackage: host architecture amd64 fakeroot debian/rules clean dh clean --with python2 dh_testdir dh_auto_clean debian/rules override_dh_clean make[1]: Entering directory '/«PKGBUILDDIR»' dh_clean rm -rf build-sphinx PyCheMPS2/build PyCheMPS2/PyCheMPS2.cpp PyCheMPS2/*.pyc make[1]: Leaving directory '/«PKGBUILDDIR»' debian/rules build dh build --with python2 dh_testdir debian/rules override_dh_auto_configure make[1]: Entering directory '/«PKGBUILDDIR»' dh_auto_configure -- -DCMAKE_INSTALL_LIBDIR=lib/x86_64-linux-gnu \ -DENABLE_XHOST=OFF \ -DBUILD_SPHINX=ON \ -DHDF5_INCLUDE_DIRS=/usr/include/hdf5/serial -- The C compiler identification is GNU 4.9.2 -- The CXX compiler identification is GNU 4.9.2 -- Check for working C compiler: /usr/bin/x86_64-linux-gnu-gcc -- Check for working C compiler: /usr/bin/x86_64-linux-gnu-gcc -- works -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working CXX compiler: /usr/bin/x86_64-linux-gnu-g++ -- Check for working CXX compiler: /usr/bin/x86_64-linux-gnu-g++ -- works -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Try OpenMP C flag = [-fopenmp] -- Performing Test OpenMP_FLAG_DETECTED -- Performing Test OpenMP_FLAG_DETECTED - Success -- Try OpenMP CXX flag = [-fopenmp] -- Performing Test OpenMP_FLAG_DETECTED -- Performing Test OpenMP_FLAG_DETECTED - Success -- Found OpenMP: -fopenmp -- Performing Test HAS_IPO -- Performing Test HAS_IPO - Failed -- Performing Test HAS_FLTO -- Performing Test HAS_FLTO - Success -- Looking for dgemm_ -- Looking for dgemm_ - found -- Looking for include file pthread.h -- Looking for include file pthread.h - found -- Looking for pthread_create -- Looking for pthread_create - found -- Found Threads: TRUE -- A library with BLAS API found. -- Looking for cheev_ -- Looking for cheev_ - found -- A library with LAPACK API found. -- Found HDF5: /usr/lib/x86_64-linux-gnu/hdf5/serial/lib/libhdf5.so;/usr/lib/x86_64-linux-gnu/libpthread.so;/usr/lib/x86_64-linux-gnu/libz.so;/usr/lib/x86_64-linux-gnu/libdl.so;/usr/lib/x86_64-linux-gnu/libm.so GSL_DEFINITIONS= GSL_INCLUDE_DIRS=/usr/include GSL_CFLAGS=-I/usr/include -- Using GSL from -- FindGSL: Found both GSL headers and library -- Found Sphinx: /usr/bin/sphinx-build -- Configuring done -- Generating done -- Build files have been written to: /«PKGBUILDDIR»/obj-x86_64-linux-gnu make[1]: Leaving directory '/«PKGBUILDDIR»' debian/rules override_dh_auto_build make[1]: Entering directory '/«PKGBUILDDIR»' dh_auto_build make[2]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[3]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' Scanning dependencies of target chemps2-base make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 1%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o [ 2%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o [ 4%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o [ 5%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o [ 7%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.cpp.o [ 8%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Davidson.cpp.o [ 9%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DIIS.cpp.o [ 11%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRG.cpp.o [ 12%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o [ 14%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o [ 15%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o [ 16%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o [ 18%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o [ 19%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o [ 21%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o [ 22%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFVmatRotations.cpp.o [ 23%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o [ 25%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o [ 26%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o [ 28%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FCI.cpp.o [ 29%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FourIndex.cpp.o [ 30%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o [ 32%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Heff.cpp.o [ 33%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o [ 35%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o [ 36%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o [ 38%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o [ 39%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o [ 40%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o [ 42%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Initialize.cpp.o [ 43%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Irreps.cpp.o [ 45%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o [ 46%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Problem.cpp.o [ 47%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Sobject.cpp.o [ 49%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o [ 50%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorA.cpp.o [ 52%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorB.cpp.o [ 53%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorC.cpp.o [ 54%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorD.cpp.o [ 56%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorDiag.cpp.o [ 57%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF0Cbase.cpp.o [ 59%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF0.cpp.o [ 60%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF1.cpp.o [ 61%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF1Dbase.cpp.o [ 63%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o [ 64%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorK.cpp.o [ 66%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorL.cpp.o [ 67%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorM.cpp.o [ 69%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorO.cpp.o [ 70%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorQ.cpp.o [ 71%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS0Abase.cpp.o [ 73%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS0.cpp.o [ 74%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS1Bbase.cpp.o [ 76%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS1.cpp.o [ 77%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorSwap.cpp.o [ 78%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorT.cpp.o [ 80%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorX.cpp.o [ 81%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoDM.cpp.o [ 83%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoDMstorage.cpp.o [ 84%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 84%] Built target chemps2-base make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' Scanning dependencies of target chemps2-shared make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' Linking CXX shared library libchemps2.so make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 84%] Built target chemps2-shared make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' Scanning dependencies of target chemps2-static make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' Linking CXX static library libchemps2.a /usr/bin/ar: CMakeFiles/chemps2-base.dir/CASSCF.cpp.o: plugin needed to handle lto object /usr/bin/ar: CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o: plugin needed to handle lto object /usr/bin/ar: CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o: plugin needed to handle lto object /usr/bin/ar: CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o: plugin needed to handle lto object /usr/bin/ar: CMakeFiles/chemps2-base.dir/Correlations.cpp.o: plugin needed to handle lto object /usr/bin/ar: CMakeFiles/chemps2-base.dir/Davidson.cpp.o: plugin needed to handle lto object /usr/bin/ar: 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/usr/bin/ranlib: HeffDiagrams3.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: HeffDiagrams4.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: HeffDiagrams5.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: Initialize.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: Irreps.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: PrintLicense.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: Problem.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: Sobject.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: SyBookkeeper.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TensorA.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TensorB.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TensorC.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TensorD.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TensorDiag.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TensorF0Cbase.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TensorF0.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TensorF1.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TensorF1Dbase.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TensorGYZ.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TensorK.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TensorL.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TensorM.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TensorO.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TensorQ.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TensorS0Abase.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TensorS0.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TensorS1Bbase.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TensorS1.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TensorSwap.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TensorT.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TensorX.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TwoDM.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TwoDMstorage.cpp.o: plugin needed to handle lto object /usr/bin/ranlib: TwoIndex.cpp.o: plugin needed to handle lto object make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 84%] Built target chemps2-static make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' Scanning dependencies of target chemps2bin make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 85%] Building CXX object CheMPS2/CMakeFiles/chemps2bin.dir/executable.cpp.o Linking CXX executable chemps2 make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 85%] Built target chemps2bin make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' Scanning dependencies of 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make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 92%] Built target test4 make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' Scanning dependencies of target test5 make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 94%] Building CXX object tests/CMakeFiles/test5.dir/tests/test5.cpp.o Linking CXX executable test5 make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 94%] Built target test5 make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' Scanning dependencies of target test6 make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 95%] Building CXX object tests/CMakeFiles/test6.dir/tests/test6.cpp.o Linking CXX executable test6 make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 95%] Built target test6 make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' Scanning dependencies of target test7 make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 97%] Building CXX object tests/CMakeFiles/test7.dir/tests/test7.cpp.o Linking CXX executable test7 make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 97%] Built target test7 make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' Scanning dependencies of target test8 make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 98%] Building CXX object tests/CMakeFiles/test8.dir/tests/test8.cpp.o Linking CXX executable test8 make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 98%] Built target test8 make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' Scanning dependencies of target test9 make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [100%] Building CXX object tests/CMakeFiles/test9.dir/tests/test9.cpp.o Linking CXX executable test9 make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [100%] Built target test9 make[3]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[2]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' # https://wiki.debian.org/Python/LibraryStyleGuide: info on sphinx-build PYTHONPATH=. http_proxy='127.0.0.1:9' sphinx-build -N -b html \ -c obj-x86_64-linux-gnu/sphinx/ \ -D html_theme=default \ -D mathjax_path="/usr/share/javascript/mathjax/MathJax.js" sphinx/ build-sphinx/html Making output directory... Running Sphinx v1.2.3 loading pickled environment... not yet created building [html]: targets for 11 source files that are out of date updating environment: 11 added, 0 changed, 0 removed reading sources... [ 9%] dmrgscf reading sources... [ 18%] dmrgscfcalcs reading sources... [ 27%] index reading sources... [ 36%] inoutput reading sources... [ 45%] interfaces reading sources... [ 54%] matrixelements reading sources... [ 63%] method reading sources... [ 72%] publications reading sources... [ 81%] resources reading sources... [ 90%] sourcecode reading sources... [100%] symmetry looking for now-outdated files... none found pickling environment... done checking consistency... done preparing documents... done writing output... [ 9%] dmrgscf writing output... [ 18%] dmrgscfcalcs writing output... [ 27%] index writing output... [ 36%] inoutput writing output... [ 45%] interfaces writing output... [ 54%] matrixelements writing output... [ 63%] method writing output... [ 72%] publications writing output... [ 81%] resources writing output... [ 90%] sourcecode writing output... [100%] symmetry writing additional files... (0 module code pages) genindex search copying images... [ 33%] ComparisonN2.png copying images... [ 66%] Comparison.png copying images... [100%] ExtrapolationN2reorder.png copying static files... done copying extra files... done dumping search index... done dumping object inventory... done build succeeded. # I know it's ugly, but sphinx splits strings at equality signs: http://svn.python.org/projects/doctools/trunk/sphinx/cmdline.py cd build-sphinx/html && sed -i "s/MathJax.js/MathJax.js?config=TeX-AMS-MML_HTMLorMML/" *.html # Solving the complaints from lintian about jquery.js & underscore.js cd build-sphinx/html && sed -i "s/_static\/jquery.js/\/usr\/share\/javascript\/jquery\/jquery.js/" *.html cd build-sphinx/html && sed -i "s/_static\/underscore.js/\/usr\/share\/javascript\/underscore\/underscore.js/" *.html cd build-sphinx/html/_static && rm jquery*.js underscore*.js cd PyCheMPS2 && CPATH=../CheMPS2/include:/usr/include/hdf5/serial python2 setup.py build_ext -L ../obj-x86_64-linux-gnu/CheMPS2 running build_ext cythoning PyCheMPS2.pyx to PyCheMPS2.cpp building 'PyCheMPS2' extension creating build creating build/temp.linux-x86_64-2.7 x86_64-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -fstack-protector-strong -Wformat -Werror=format-security -D_FORTIFY_SOURCE=2 -fPIC -I/usr/lib/python2.7/dist-packages/numpy/core/include -I/usr/include/python2.7 -c PyCheMPS2.cpp -o build/temp.linux-x86_64-2.7/PyCheMPS2.o cc1plus: warning: command line option '-Wstrict-prototypes' is valid for C/ObjC but not for C++ In file included from /usr/lib/python2.7/dist-packages/numpy/core/include/numpy/ndarraytypes.h:1761:0, from /usr/lib/python2.7/dist-packages/numpy/core/include/numpy/ndarrayobject.h:17, from /usr/lib/python2.7/dist-packages/numpy/core/include/numpy/arrayobject.h:4, from PyCheMPS2.cpp:239: /usr/lib/python2.7/dist-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:15:2: warning: #warning "Using deprecated NumPy API, disable it by " "#defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] #warning "Using deprecated NumPy API, disable it by " \ ^ In file included from /usr/lib/python2.7/dist-packages/numpy/core/include/numpy/ufuncobject.h:327:0, from PyCheMPS2.cpp:240: /usr/lib/python2.7/dist-packages/numpy/core/include/numpy/__ufunc_api.h:241:1: warning: 'int _import_umath()' defined but not used [-Wunused-function] _import_umath(void) ^ creating build/lib.linux-x86_64-2.7 c++ -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-Bsymbolic-functions -Wl,-z,relro -fno-strict-aliasing -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -D_FORTIFY_SOURCE=2 -g -fstack-protector-strong -Wformat -Werror=format-security -Wl,-Bsymbolic-functions -Wl,-z,relro -g -O2 -fstack-protector-strong -Wformat -Werror=format-security -D_FORTIFY_SOURCE=2 build/temp.linux-x86_64-2.7/PyCheMPS2.o -L../obj-x86_64-linux-gnu/CheMPS2 -lchemps2 -o build/lib.linux-x86_64-2.7/PyCheMPS2.so make[1]: Leaving directory '/«PKGBUILDDIR»' debian/rules override_dh_auto_test make[1]: Entering directory '/«PKGBUILDDIR»' cd obj-x86_64-linux-gnu/ && ctest -R "^test3|^test5|^test8" Test project /«PKGBUILDDIR»/obj-x86_64-linux-gnu Start 3: test3 1/3 Test #3: test3 ............................ Passed 1.84 sec Start 5: test5 2/3 Test #5: test5 ............................ Passed 3.37 sec Start 8: test8 3/3 Test #8: test8 ............................ Passed 1.72 sec 100% tests passed, 0 tests failed out of 3 Total Test time (real) = 6.93 sec cd PyCheMPS2/tests && PYTHONPATH=../.././PyCheMPS2/build/lib.linux-x86_64-2.7:.. \ LD_LIBRARY_PATH=../../obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial \ python2 test1.py FCI::Startup : Number of variables in the FCI vector = 1824 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.466944 MB memory. FCI::HamTimesVec : Wall time = 0.007464 seconds FCI::HamTimesVec : Wall time = 0.007487 seconds FCI::HamTimesVec : Wall time = 0.00646 seconds FCI::HamTimesVec : Wall time = 0.006443 seconds FCI::HamTimesVec : Wall time = 0.006906 seconds FCI::HamTimesVec : Wall time = 0.006873 seconds FCI::HamTimesVec : Wall time = 0.006688 seconds FCI::HamTimesVec : Wall time = 0.006436 seconds FCI::HamTimesVec : Wall time = 0.006405 seconds FCI::HamTimesVec : Wall time = 0.00661 seconds FCI::HamTimesVec : Wall time = 0.006682 seconds FCI::HamTimesVec : Wall time = 0.006497 seconds FCI::HamTimesVec : Wall time = 0.00653 seconds FCI::HamTimesVec : Wall time = 0.006454 seconds FCI::HamTimesVec : Wall time = 0.00645 seconds FCI::HamTimesVec : Wall time = 0.006437 seconds FCI::GSDavidson : Converged ground state energy = -107.648250974013 FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = -3.98618145257553e-18 and intended S(S+1) = 0 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2015 Sebastian Wouters This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 12 Energy at sites (8, 9) is -99.9639970119663 Stats: nIt(DAVIDSON) = 24 Energy at sites (7, 8) is -106.852525431494 Stats: nIt(DAVIDSON) = 59 Energy at sites (6, 7) is -106.875283959752 Stats: nIt(DAVIDSON) = 70 Energy at sites (5, 6) is -106.90635497806 Stats: nIt(DAVIDSON) = 36 Energy at sites (4, 5) is -107.630528410863 Stats: nIt(DAVIDSON) = 24 Energy at sites (3, 4) is -107.647930056949 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.64793005695 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.647930056949 *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 1.225233 seconds *** |--> S.join = 0.000834 seconds *** |--> S.solve = 1.175682 seconds *** |--> S.split = 0.00282 seconds *** |--> Tensor update = 0.043883 seconds *** |--> create = 0.013674 seconds *** |--> destroy = 0.001069 seconds *** |--> disk write = 0.00982 seconds *** |--> disk read = 0.005954 seconds *** |--> calc = 0.013314 seconds *** Disk write bandwidth = 59.6701006296939 MB/s *** Disk read bandwidth = 98.7477377832917 MB/s *** Minimum energy = -107.64793005695 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.64793005695 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.647930056949 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.64793005695 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.647930056949 Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -107.647945424962 Stats: nIt(DAVIDSON) = 8 Energy at sites (5, 6) is -107.648250112622 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250112622 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250112622 *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.17045 seconds *** |--> S.join = 0.001165 seconds *** |--> S.solve = 0.124668 seconds *** |--> S.split = 0.001951 seconds *** |--> Tensor update = 0.040736 seconds *** |--> create = 0.013356 seconds *** |--> destroy = 0.00068 seconds *** |--> disk write = 0.008142 seconds *** |--> disk read = 0.005247 seconds *** |--> calc = 0.013271 seconds *** Disk write bandwidth = 72.2112540852025 MB/s *** Disk read bandwidth = 111.675316978005 MB/s *** Minimum energy = -107.648250112622 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.648250112622 Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.648250112622 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250112622 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250112622 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.648250112622 Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -107.648250875703 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.648250971275 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250971275 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250971275 *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.122948 seconds *** |--> S.join = 0.000929 seconds *** |--> S.solve = 0.076427 seconds *** |--> S.split = 0.002456 seconds *** |--> Tensor update = 0.041239 seconds *** |--> create = 0.012806 seconds *** |--> destroy = 0.001157 seconds *** |--> disk write = 0.007569 seconds *** |--> disk read = 0.006353 seconds *** |--> calc = 0.013319 seconds *** Disk write bandwidth = 77.4158261571666 MB/s *** Disk read bandwidth = 92.5458886764865 MB/s *** Minimum energy = -107.648250971275 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.648250971275 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250971275 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250971275 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.648250971275 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.648250971337 Stats: nIt(DAVIDSON) = 3 Energy at sites (5, 6) is -107.648250973996 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250973996 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250973996 *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.114699 seconds *** |--> S.join = 0.001024 seconds *** |--> S.solve = 0.058028 seconds *** |--> S.split = 0.002455 seconds *** |--> Tensor update = 0.050851 seconds *** |--> create = 0.017023 seconds *** |--> destroy = 0.001192 seconds *** |--> disk write = 0.011373 seconds *** |--> disk read = 0.006934 seconds *** |--> calc = 0.014282 seconds *** Disk write bandwidth = 51.6964768101397 MB/s *** Disk read bandwidth = 84.5053920080176 MB/s *** Minimum energy = -107.648250973996 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 8.61373820271183e-07 Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.648250973996 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250973996 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250973995 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.648250973995 Stats: nIt(DAVIDSON) = 1 Energy at sites (4, 5) is -107.648250973995 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.648250973996 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250973996 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250973996 *** Information on left sweep 2 of instruction 0: *** Elapsed wall time = 0.075923 seconds *** |--> S.join = 0.000973 seconds *** |--> S.solve = 0.03125 seconds *** |--> S.split = 0.002339 seconds *** |--> Tensor update = 0.039421 seconds *** |--> create = 0.014027 seconds *** |--> destroy = 0.000875 seconds *** |--> disk write = 0.007838 seconds *** |--> disk read = 0.005315 seconds *** |--> calc = 0.011325 seconds *** Disk write bandwidth = 74.7589165837706 MB/s *** Disk read bandwidth = 110.619761196937 MB/s *** Minimum energy = -107.648250973996 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.648250973996 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.648250973996 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.648250973996 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.648250973996 Stats: nIt(DAVIDSON) = 1 Energy at sites (4, 5) is -107.648250973995 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.648250973995 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.648250973995 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.648250973996 *** Information on right sweep 2 of instruction 0: *** Elapsed wall time = 0.076779 seconds *** |--> S.join = 0.001034 seconds *** |--> S.solve = 0.030722 seconds *** |--> S.split = 0.002051 seconds *** |--> Tensor update = 0.040372 seconds *** |--> create = 0.014549 seconds *** |--> destroy = 0.00064 seconds *** |--> disk write = 0.008502 seconds *** |--> disk read = 0.005556 seconds *** |--> calc = 0.011088 seconds *** Disk write bandwidth = 69.1536145332532 MB/s *** Disk read bandwidth = 105.464432718429 MB/s *** Minimum energy = -107.648250973996 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 0 **************************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 2000 *** Minimum energy encountered during all instructions = -107.648250973996 *** Minimum energy encountered during the last sweep = -107.648250973996 *** Maximum discarded weight during the last sweep = 0 **************************************************************************** Stats: nIt(DAVIDSON) = 1 ************************************** ** 2DM and Correlations calculation ** ************************************** N(N-1) = 182 and calculated by double trace of the 2DM-A = 182 Energy obtained by Heffective at edge = -107.648250973996 and as Econst + 0.5*trace(2DM-A*Ham) = -107.648250973996 NOON of irrep Ag = [ 1.99999530438941 , 1.99487991991417 , 1.98267949108088 ]. NOON of irrep B2g = [ 0.074871584368849 ]. NOON of irrep B3g = [ 0.074871602592011 ]. NOON of irrep B1u = [ 1.99999681839576 , 1.98658247482214 , 0.0188079029217252 ]. NOON of irrep B2u = [ 1.93365744782425 ]. NOON of irrep B3u = [ 1.93365745369081 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131008637411279 , 0.051586419435564 , 0.0764973973921474 , 0.257716710323374 , 0.257716744300986 , 8.47156693502603e-05 , 0.0462798978839908 , 0.100736040193453 , 0.241505855653045 , 0.241505843954039 ]. Idistance(0) = 1.30939316643103 Idistance(1) = 5.42402599399399 Idistance(2) = 26.7355225367847 ************************************** RMS difference FCI and DMRG determinant coefficients = 2.49836402934e-06 Info on DMRG::operators rm call to system: 0 FCI::Startup : Number of variables in the FCI vector = 1160 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.29696 MB memory. FCI::HamTimesVec : Wall time = 0.004135 seconds FCI::HamTimesVec : Wall time = 0.003553 seconds FCI::HamTimesVec : Wall time = 0.003292 seconds FCI::HamTimesVec : Wall time = 0.004608 seconds FCI::HamTimesVec : Wall time = 0.003286 seconds FCI::HamTimesVec : Wall time = 0.005015 seconds FCI::HamTimesVec : Wall time = 0.004183 seconds FCI::HamTimesVec : Wall time = 0.004314 seconds FCI::HamTimesVec : Wall time = 0.004743 seconds FCI::HamTimesVec : Wall time = 0.004146 seconds FCI::HamTimesVec : Wall time = 0.004202 seconds FCI::HamTimesVec : Wall time = 0.004246 seconds FCI::HamTimesVec : Wall time = 0.004301 seconds FCI::HamTimesVec : Wall time = 0.004773 seconds FCI::HamTimesVec : Wall time = 0.004244 seconds FCI::GSDavidson : Converged ground state energy = -107.328768898032 FCI::CalcSpinSquared : For intended spin 1 the measured S(S+1) = 2 and intended S(S+1) = 2 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2015 Sebastian Wouters This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 14 Energy at sites (8, 9) is -103.788886930585 Stats: nIt(DAVIDSON) = 31 Energy at sites (7, 8) is -106.328590991401 Stats: nIt(DAVIDSON) = 49 Energy at sites (6, 7) is -106.480523591515 Stats: nIt(DAVIDSON) = 61 Energy at sites (5, 6) is -107.318050935484 Stats: nIt(DAVIDSON) = 45 Energy at sites (4, 5) is -107.325753358741 Stats: nIt(DAVIDSON) = 24 Energy at sites (3, 4) is -107.32876298232 Stats: nIt(DAVIDSON) = 9 Energy at sites (2, 3) is -107.328764661141 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328764661141 *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 2.320376 seconds *** |--> S.join = 0.001193 seconds *** |--> S.solve = 2.249996 seconds *** |--> S.split = 0.002979 seconds *** |--> Tensor update = 0.0639380000000001 seconds *** |--> create = 0.021066 seconds *** |--> destroy = 0.001256 seconds *** |--> disk write = 0.0119540000000001 seconds *** |--> disk read = 0.005968 seconds *** |--> calc = 0.023641 seconds *** Disk write bandwidth = 70.673058777723 MB/s *** Disk read bandwidth = 140.952041257802 MB/s *** Minimum energy = -107.328764661141 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.328764661141 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328764661141 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328764661141 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.328764663182 Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -107.328767207617 Stats: nIt(DAVIDSON) = 7 Energy at sites (5, 6) is -107.328768890335 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768890336 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.328768890335 *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.291086 seconds *** |--> S.join = 0.001135 seconds *** |--> S.solve = 0.219451 seconds *** |--> S.split = 0.0032 seconds *** |--> Tensor update = 0.065321 seconds *** |--> create = 0.017784 seconds *** |--> destroy = 0.00119 seconds *** |--> disk write = 0.009971 seconds *** |--> disk read = 0.006327 seconds *** |--> calc = 0.029995 seconds *** Disk write bandwidth = 84.3648362477748 MB/s *** Disk read bandwidth = 133.527065691308 MB/s *** Minimum energy = -107.328768890336 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.328768890335 Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.328768890335 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.328768890335 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768890335 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.328768890335 Stats: nIt(DAVIDSON) = 3 Energy at sites (4, 5) is -107.328768890822 Stats: nIt(DAVIDSON) = 4 Energy at sites (3, 4) is -107.328768897986 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328768897986 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328768897986 *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.164294 seconds *** |--> S.join = 0.001135 seconds *** |--> S.solve = 0.092958 seconds *** |--> S.split = 0.004152 seconds *** |--> Tensor update = 0.064076 seconds *** |--> create = 0.019649 seconds *** |--> destroy = 0.001073 seconds *** |--> disk write = 0.009847 seconds *** |--> disk read = 0.006214 seconds *** |--> calc = 0.027248 seconds *** Disk write bandwidth = 85.7952416602931 MB/s *** Disk read bandwidth = 135.372028037747 MB/s *** Minimum energy = -107.328768897986 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.328768897985 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328768897986 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328768897986 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.328768897986 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.328768898019 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.328768898019 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768898019 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.328768898019 *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.13806 seconds *** |--> S.join = 0.001378 seconds *** |--> S.solve = 0.068919 seconds *** |--> S.split = 0.003165 seconds *** |--> Tensor update = 0.062682 seconds *** |--> create = 0.016656 seconds *** |--> destroy = 0.001107 seconds *** |--> disk write = 0.009136 seconds *** |--> disk read = 0.005477 seconds *** |--> calc = 0.030267 seconds *** Disk write bandwidth = 92.0755015571982 MB/s *** Disk read bandwidth = 154.249725146779 MB/s *** Minimum energy = -107.328768898019 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 7.68366703596257e-09 Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.328768898019 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.328768898019 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768898019 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.328768898019 Stats: nIt(DAVIDSON) = 1 Energy at sites (4, 5) is -107.328768898019 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.328768898019 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328768898019 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328768898019 *** Information on left sweep 2 of instruction 0: *** Elapsed wall time = 0.127706 seconds *** |--> S.join = 0.001152 seconds *** |--> S.solve = 0.06156 seconds *** |--> S.split = 0.003011 seconds *** |--> Tensor update = 0.059492 seconds *** |--> create = 0.015862 seconds *** |--> destroy = 0.001138 seconds *** |--> disk write = 0.00861 seconds *** |--> disk read = 0.006105 seconds *** |--> calc = 0.027739 seconds *** Disk write bandwidth = 98.1214569836128 MB/s *** Disk read bandwidth = 137.788989717701 MB/s *** Minimum energy = -107.328768898019 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.328768898019 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.328768898019 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.328768898019 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.328768898019 Stats: nIt(DAVIDSON) = 1 Energy at sites (4, 5) is -107.328768898019 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.328768898019 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.328768898019 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.328768898019 *** Information on right sweep 2 of instruction 0: *** Elapsed wall time = 0.117322 seconds *** |--> S.join = 0.00114 seconds *** |--> S.solve = 0.055896 seconds *** |--> S.split = 0.002808 seconds *** |--> Tensor update = 0.0555670000000001 seconds *** |--> create = 0.015753 seconds *** |--> destroy = 0.001189 seconds *** |--> disk write = 0.009454 seconds *** |--> disk read = 0.006266 seconds *** |--> calc = 0.022869 seconds *** Disk write bandwidth = 88.9783987969709 MB/s *** Disk read bandwidth = 134.826962117604 MB/s *** Minimum energy = -107.328768898019 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 2.8421709430404e-14 **************************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 2000 *** Minimum energy encountered during all instructions = -107.328768898019 *** Minimum energy encountered during the last sweep = -107.328768898019 *** Maximum discarded weight during the last sweep = 0 **************************************************************************** Stats: nIt(DAVIDSON) = 1 ************************************** ** 2DM and Correlations calculation ** ************************************** N(N-1) = 182 and calculated by double trace of the 2DM-A = 182 Energy obtained by Heffective at edge = -107.328768898019 and as Econst + 0.5*trace(2DM-A*Ham) = -107.328768898019 NOON of irrep Ag = [ 1.99999672228151 , 1.9957145905873 , 1.98497377603078 ]. NOON of irrep B2g = [ 0.538993544148286 ]. NOON of irrep B3g = [ 0.538986267553527 ]. NOON of irrep B1u = [ 1.99999702951074 , 1.99149907245032 , 0.0194690470522491 ]. NOON of irrep B2u = [ 1.46518865555095 ]. NOON of irrep B3u = [ 1.46518129483433 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862818738548 , 0.0587089910735218 , 0.0554792476698364 , 1.11957858287979 , 1.11957401820938 , 8.5279776520972e-05 , 0.0421712916928198 , 0.10500026722568 , 1.11261771853546 , 1.11262244983649 ]. Idistance(0) = 4.60188060011343 Idistance(1) = 17.7825024966576 Idistance(2) = 85.6947924389939 ************************************** RMS difference FCI and DMRG determinant coefficients = 4.45444982223e-06 Info on DMRG::operators rm call to system: 0 FCI::Startup : Number of variables in the FCI vector = 276 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.070656 MB memory. FCI::HamTimesVec : Wall time = 0.001404 seconds FCI::HamTimesVec : Wall time = 0.001297 seconds FCI::HamTimesVec : Wall time = 0.001305 seconds FCI::HamTimesVec : Wall time = 0.001339 seconds FCI::HamTimesVec : Wall time = 0.001315 seconds FCI::HamTimesVec : Wall time = 0.001332 seconds FCI::HamTimesVec : Wall time = 0.002362 seconds FCI::HamTimesVec : Wall time = 0.001319 seconds FCI::HamTimesVec : Wall time = 0.001307 seconds FCI::HamTimesVec : Wall time = 0.001306 seconds FCI::HamTimesVec : Wall time = 0.001331 seconds FCI::GSDavidson : Converged ground state energy = -107.007920599439 FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 5.99999999999999 and intended S(S+1) = 6 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2015 Sebastian Wouters This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 15 Energy at sites (8, 9) is -94.1788231851959 Stats: nIt(DAVIDSON) = 17 Energy at sites (7, 8) is -105.669296244126 Stats: nIt(DAVIDSON) = 28 Energy at sites (6, 7) is -106.994566274832 Stats: nIt(DAVIDSON) = 16 Energy at sites (5, 6) is -106.995625132085 Stats: nIt(DAVIDSON) = 18 Energy at sites (4, 5) is -106.996942527581 Stats: nIt(DAVIDSON) = 22 Energy at sites (3, 4) is -106.999098493103 Stats: nIt(DAVIDSON) = 13 Energy at sites (2, 3) is -107.007885610304 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007885610304 *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 0.441399 seconds *** |--> S.join = 0.000989 seconds *** |--> S.solve = 0.39684 seconds *** |--> S.split = 0.002349 seconds *** |--> Tensor update = 0.038874 seconds *** |--> create = 0.012816 seconds *** |--> destroy = 0.001869 seconds *** |--> disk write = 0.009179 seconds *** |--> disk read = 0.006325 seconds *** |--> calc = 0.008635 seconds *** Disk write bandwidth = 21.2756958074307 MB/s *** Disk read bandwidth = 30.70454352458 MB/s *** Minimum energy = -107.007885610304 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.007885610304 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007885610304 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.007885610304 Stats: nIt(DAVIDSON) = 6 Energy at sites (3, 4) is -107.007885915935 Stats: nIt(DAVIDSON) = 10 Energy at sites (4, 5) is -107.007887958165 Stats: nIt(DAVIDSON) = 14 Energy at sites (5, 6) is -107.007920300293 Stats: nIt(DAVIDSON) = 3 Energy at sites (6, 7) is -107.007920303195 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.007920303195 *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.188351 seconds *** |--> S.join = 0.001553 seconds *** |--> S.solve = 0.143784 seconds *** |--> S.split = 0.001775 seconds *** |--> Tensor update = 0.037743 seconds *** |--> create = 0.01233 seconds *** |--> destroy = 0.001567 seconds *** |--> disk write = 0.009162 seconds *** |--> disk read = 0.005463 seconds *** |--> calc = 0.00917900000000006 seconds *** Disk write bandwidth = 21.1969261943865 MB/s *** Disk read bandwidth = 35.747686585467 MB/s *** Minimum energy = -107.007920303195 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.007920303195 Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.007920303195 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.007920303195 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.007920303195 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.007920303195 Stats: nIt(DAVIDSON) = 4 Energy at sites (4, 5) is -107.007920327012 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.007920360898 Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -107.007920595814 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007920595814 *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.092166 seconds *** |--> S.join = 0.001051 seconds *** |--> S.solve = 0.049982 seconds *** |--> S.split = 0.001612 seconds *** |--> Tensor update = 0.037598 seconds *** |--> create = 0.013781 seconds *** |--> destroy = 0.001579 seconds *** |--> disk write = 0.007703 seconds *** |--> disk read = 0.005858 seconds *** |--> calc = 0.00863 seconds *** Disk write bandwidth = 25.3524096866683 MB/s *** Disk read bandwidth = 33.1523109923129 MB/s *** Minimum energy = -107.007920595814 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.007920595814 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007920595814 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.007920595814 Stats: nIt(DAVIDSON) = 2 Energy at sites (3, 4) is -107.007920595953 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.007920595976 Stats: nIt(DAVIDSON) = 3 Energy at sites (5, 6) is -107.007920599369 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.007920599369 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.007920599369 *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.083011 seconds *** |--> S.join = 0.001064 seconds *** |--> S.solve = 0.038644 seconds *** |--> S.split = 0.002336 seconds *** |--> Tensor update = 0.039042 seconds *** |--> create = 0.013146 seconds *** |--> destroy = 0.001588 seconds *** |--> disk write = 0.008128 seconds *** |--> disk read = 0.005454 seconds *** |--> calc = 0.010685 seconds *** Disk write bandwidth = 23.8934839804341 MB/s *** Disk read bandwidth = 35.8066761672912 MB/s *** Minimum energy = -107.007920599369 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 2.96173880087736e-07 Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.007920599369 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.007920599369 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.007920599369 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.007920599369 Stats: nIt(DAVIDSON) = 1 Energy at sites (4, 5) is -107.007920599369 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.007920599369 Stats: nIt(DAVIDSON) = 2 Energy at sites (2, 3) is -107.007920599425 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007920599424 *** Information on left sweep 2 of instruction 0: *** Elapsed wall time = 0.068205 seconds *** |--> S.join = 0.00104 seconds *** |--> S.solve = 0.02591 seconds *** |--> S.split = 0.001532 seconds *** |--> Tensor update = 0.03781 seconds *** |--> create = 0.015206 seconds *** |--> destroy = 0.001547 seconds *** |--> disk write = 0.00707 seconds *** |--> disk read = 0.005392 seconds *** |--> calc = 0.008549 seconds *** Disk write bandwidth = 27.6222930433389 MB/s *** Disk read bandwidth = 36.0174773354912 MB/s *** Minimum energy = -107.007920599425 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.007920599425 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.007920599425 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.007920599424 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.007920599424 Stats: nIt(DAVIDSON) = 1 Energy at sites (4, 5) is -107.007920599425 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.007920599424 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.007920599424 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.007920599424 *** Information on right sweep 2 of instruction 0: *** Elapsed wall time = 0.074918 seconds *** |--> S.join = 0.001147 seconds *** |--> S.solve = 0.02649 seconds *** |--> S.split = 0.002559 seconds *** |--> Tensor update = 0.042797 seconds *** |--> create = 0.012444 seconds *** |--> destroy = 0.002486 seconds *** |--> disk write = 0.008385 seconds *** |--> disk read = 0.006568 seconds *** |--> calc = 0.009156 seconds *** Disk write bandwidth = 23.1611494088216 MB/s *** Disk read bandwidth = 29.7334975359936 MB/s *** Minimum energy = -107.007920599425 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 5.54223333892878e-11 **************************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 2000 *** Minimum energy encountered during all instructions = -107.007920599425 *** Minimum energy encountered during the last sweep = -107.007920599425 *** Maximum discarded weight during the last sweep = 0 **************************************************************************** Stats: nIt(DAVIDSON) = 1 ************************************** ** 2DM and Correlations calculation ** ************************************** N(N-1) = 182 and calculated by double trace of the 2DM-A = 182 Energy obtained by Heffective at edge = -107.007920599424 and as Econst + 0.5*trace(2DM-A*Ham) = -107.007920599424 NOON of irrep Ag = [ 1.9999976175625 , 1.99817459541606 , 1.99099529287083 ]. NOON of irrep B2g = [ 0.999157307316325 ]. NOON of irrep B3g = [ 0.999157302355695 ]. NOON of irrep B1u = [ 1.99999763396175 , 1.99356775472089 , 0.0151843063680859 ]. NOON of irrep B2u = [ 1.00188409438372 ]. NOON of irrep B3u = [ 1.00188409504415 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85607872487101e-05 , 0.0439795668186215 , 0.0191226153479534 , 0.710073270450698 , 0.710073266836255 , 0.000114193969328145 , 0.0501984820675916 , 0.0847677954401037 , 0.709393197936361 , 0.709393199195865 ]. Idistance(0) = 1.96740687533841 Idistance(1) = 7.24682989719851 Idistance(2) = 34.6048756510541 ************************************** RMS difference FCI and DMRG determinant coefficients = 2.69634790257e-06 Info on DMRG::operators rm call to system: 0 FCI::Startup : Number of variables in the FCI vector = 276 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.070656 MB memory. FCI::HamTimesVec : Wall time = 0.00161 seconds FCI::HamTimesVec : Wall time = 0.001424 seconds FCI::HamTimesVec : Wall time = 0.001989 seconds FCI::HamTimesVec : Wall time = 0.001402 seconds FCI::HamTimesVec : Wall time = 0.001441 seconds FCI::HamTimesVec : Wall time = 0.001407 seconds FCI::HamTimesVec : Wall time = 0.001435 seconds FCI::HamTimesVec : Wall time = 0.00141 seconds FCI::HamTimesVec : Wall time = 0.001411 seconds FCI::HamTimesVec : Wall time = 0.002255 seconds FCI::HamTimesVec : Wall time = 0.001413 seconds FCI::HamTimesVec : Wall time = 0.001431 seconds FCI::HamTimesVec : Wall time = 0.001416 seconds FCI::HamTimesVec : Wall time = 0.001453 seconds FCI::HamTimesVec : Wall time = 0.001409 seconds FCI::HamTimesVec : Wall time = 0.001451 seconds FCI::GSDavidson : Converged ground state energy = -106.19146657595 FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 6.00000000000001 and intended S(S+1) = 6 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2015 Sebastian Wouters This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 14 Energy at sites (8, 9) is -103.91495807328 Stats: nIt(DAVIDSON) = 22 Energy at sites (7, 8) is -105.792004512752 Stats: nIt(DAVIDSON) = 55 Energy at sites (6, 7) is -105.909200187867 Stats: nIt(DAVIDSON) = 62 Energy at sites (5, 6) is -105.913086651066 Stats: nIt(DAVIDSON) = 50 Energy at sites (4, 5) is -106.111336265978 Stats: nIt(DAVIDSON) = 30 Energy at sites (3, 4) is -106.130596928068 Stats: nIt(DAVIDSON) = 4 Energy at sites (2, 3) is -106.130596945682 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.130596945682 *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 1.024286 seconds *** |--> S.join = 0.000938 seconds *** |--> S.solve = 0.977164 seconds *** |--> S.split = 0.002209 seconds *** |--> Tensor update = 0.041946 seconds *** |--> create = 0.013234 seconds *** |--> destroy = 0.00173 seconds *** |--> disk write = 0.009629 seconds *** |--> disk read = 0.006102 seconds *** |--> calc = 0.0112 seconds *** Disk write bandwidth = 20.9636016728438 MB/s *** Disk read bandwidth = 32.9031705153024 MB/s *** Minimum energy = -106.130596945682 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.130596945682 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.130596945682 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.130596945682 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -106.130596945682 Stats: nIt(DAVIDSON) = 13 Energy at sites (4, 5) is -106.134114623615 Stats: nIt(DAVIDSON) = 11 Energy at sites (5, 6) is -106.190647756897 Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -106.190647756956 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.190647756956 *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.200227 seconds *** |--> S.join = 0.000943 seconds *** |--> S.solve = 0.151841 seconds *** |--> S.split = 0.001956 seconds *** |--> Tensor update = 0.042725 seconds *** |--> create = 0.012442 seconds *** |--> destroy = 0.001604 seconds *** |--> disk write = 0.008419 seconds *** |--> disk read = 0.007271 seconds *** |--> calc = 0.012944 seconds *** Disk write bandwidth = 23.8478615612751 MB/s *** Disk read bandwidth = 27.7621400780928 MB/s *** Minimum energy = -106.190647756956 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 106.190647756956 Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -106.190647756956 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.190647756956 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.190647756956 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -106.190647756956 Stats: nIt(DAVIDSON) = 12 Energy at sites (4, 5) is -106.191268217986 Stats: nIt(DAVIDSON) = 11 Energy at sites (3, 4) is -106.19145724013 Stats: nIt(DAVIDSON) = 4 Energy at sites (2, 3) is -106.191457270583 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191457270583 *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.168979 seconds *** |--> S.join = 0.000904 seconds *** |--> S.solve = 0.11899 seconds *** |--> S.split = 0.00219 seconds *** |--> Tensor update = 0.044872 seconds *** |--> create = 0.01447 seconds *** |--> destroy = 0.001686 seconds *** |--> disk write = 0.008257 seconds *** |--> disk read = 0.006971 seconds *** |--> calc = 0.013438 seconds *** Disk write bandwidth = 24.44695658324 MB/s *** Disk read bandwidth = 28.8014842181 MB/s *** Minimum energy = -106.191457270583 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.191457270583 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191457270583 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.191457270583 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -106.191457270583 Stats: nIt(DAVIDSON) = 5 Energy at sites (4, 5) is -106.191457333055 Stats: nIt(DAVIDSON) = 10 Energy at sites (5, 6) is -106.191466328804 Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -106.19146632882 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.19146632882 *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.185734 seconds *** |--> S.join = 0.00094 seconds *** |--> S.solve = 0.1275 seconds *** |--> S.split = 0.001932 seconds *** |--> Tensor update = 0.053137 seconds *** |--> create = 0.019065 seconds *** |--> destroy = 0.001711 seconds *** |--> disk write = 0.01322 seconds *** |--> disk read = 0.005498 seconds *** |--> calc = 0.013588 seconds *** Disk write bandwidth = 15.187227419393 MB/s *** Disk read bandwidth = 36.7149000559863 MB/s *** Minimum energy = -106.19146632882 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 0.000818571864300566 Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -106.19146632882 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.19146632882 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.19146632882 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -106.19146632882 Stats: nIt(DAVIDSON) = 7 Energy at sites (4, 5) is -106.19146647136 Stats: nIt(DAVIDSON) = 6 Energy at sites (3, 4) is -106.191466561785 Stats: nIt(DAVIDSON) = 2 Energy at sites (2, 3) is -106.1914665618 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.1914665618 *** Information on left sweep 2 of instruction 0: *** Elapsed wall time = 0.147004 seconds *** |--> S.join = 0.001066 seconds *** |--> S.solve = 0.084273 seconds *** |--> S.split = 0.002202 seconds *** |--> Tensor update = 0.056899 seconds *** |--> create = 0.018558 seconds *** |--> destroy = 0.001747 seconds *** |--> disk write = 0.013901 seconds *** |--> disk read = 0.009137 seconds *** |--> calc = 0.013504 seconds *** Disk write bandwidth = 14.5211510328618 MB/s *** Disk read bandwidth = 21.9738586499261 MB/s *** Minimum energy = -106.1914665618 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.1914665618 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.1914665618 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.1914665618 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -106.1914665618 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -106.191466561835 Stats: nIt(DAVIDSON) = 5 Energy at sites (5, 6) is -106.191466575048 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.191466575048 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466575048 *** Information on right sweep 2 of instruction 0: *** Elapsed wall time = 0.142683 seconds *** |--> S.join = 0.001681 seconds *** |--> S.solve = 0.069772 seconds *** |--> S.split = 0.002835 seconds *** |--> Tensor update = 0.065724 seconds *** |--> create = 0.022975 seconds *** |--> destroy = 0.001104 seconds *** |--> disk write = 0.014249 seconds *** |--> disk read = 0.01022 seconds *** |--> calc = 0.017103 seconds *** Disk write bandwidth = 14.0904727689224 MB/s *** Disk read bandwidth = 19.7513229459699 MB/s *** Minimum energy = -106.191466575048 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 2.46227870093207e-07 Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -106.191466575048 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466575048 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.191466575048 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -106.191466575048 Stats: nIt(DAVIDSON) = 3 Energy at sites (4, 5) is -106.19146657556 Stats: nIt(DAVIDSON) = 3 Energy at sites (3, 4) is -106.191466575867 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.191466575867 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466575867 *** Information on left sweep 3 of instruction 0: *** Elapsed wall time = 0.10974 seconds *** |--> S.join = 0.001927 seconds *** |--> S.solve = 0.055766 seconds *** |--> S.split = 0.001887 seconds *** |--> Tensor update = 0.04827 seconds *** |--> create = 0.018136 seconds *** |--> destroy = 0.000817 seconds *** |--> disk write = 0.007925 seconds *** |--> disk read = 0.00579 seconds *** |--> calc = 0.015555 seconds *** Disk write bandwidth = 25.471106688683 MB/s *** Disk read bandwidth = 34.6761911026554 MB/s *** Minimum energy = -106.191466575867 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.191466575867 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466575867 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.191466575867 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -106.191466575867 Stats: nIt(DAVIDSON) = 1 Energy at sites (4, 5) is -106.191466575867 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -106.191466575867 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.191466575867 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466575867 *** Information on right sweep 3 of instruction 0: *** Elapsed wall time = 0.093192 seconds *** |--> S.join = 0.000943 seconds *** |--> S.solve = 0.035538 seconds *** |--> S.split = 0.001657 seconds *** |--> Tensor update = 0.052879 seconds *** |--> create = 0.020681 seconds *** |--> destroy = 0.000861 seconds *** |--> disk write = 0.009411 seconds *** |--> disk read = 0.005726 seconds *** |--> calc = 0.016152 seconds *** Disk write bandwidth = 21.3340927089975 MB/s *** Disk read bandwidth = 35.2529724952519 MB/s *** Minimum energy = -106.191466575867 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 8.18602075014496e-10 Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -106.191466575867 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466575867 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.191466575867 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -106.191466575867 Stats: nIt(DAVIDSON) = 1 Energy at sites (4, 5) is -106.191466575867 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -106.191466575867 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.191466575867 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466575867 *** Information on left sweep 4 of instruction 0: *** Elapsed wall time = 0.093142 seconds *** |--> S.join = 0.000968 seconds *** |--> S.solve = 0.036728 seconds *** |--> S.split = 0.00165 seconds *** |--> Tensor update = 0.051451 seconds *** |--> create = 0.019267 seconds *** |--> destroy = 0.000908 seconds *** |--> disk write = 0.010434 seconds *** |--> disk read = 0.006548 seconds *** |--> calc = 0.01426 seconds *** Disk write bandwidth = 19.3462258489374 MB/s *** Disk read bandwidth = 30.6620565797763 MB/s *** Minimum energy = -106.191466575867 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -106.191466575867 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -106.191466575867 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -106.191466575867 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -106.191466575867 Stats: nIt(DAVIDSON) = 1 Energy at sites (4, 5) is -106.191466575867 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -106.191466575867 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -106.191466575867 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -106.191466575867 *** Information on right sweep 4 of instruction 0: *** Elapsed wall time = 0.101374 seconds *** |--> S.join = 0.001044 seconds *** |--> S.solve = 0.0355 seconds *** |--> S.split = 0.001709 seconds *** |--> Tensor update = 0.06068 seconds *** |--> create = 0.021606 seconds *** |--> destroy = 0.003791 seconds *** |--> disk write = 0.012961 seconds *** |--> disk read = 0.007346 seconds *** |--> calc = 0.014923 seconds *** Disk write bandwidth = 15.490714179799 MB/s *** Disk read bandwidth = 27.478698680617 MB/s *** Minimum energy = -106.191466575867 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 8.5265128291212e-14 **************************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 2000 *** Minimum energy encountered during all instructions = -106.191466575867 *** Minimum energy encountered during the last sweep = -106.191466575867 *** Maximum discarded weight during the last sweep = 0 **************************************************************************** Stats: nIt(DAVIDSON) = 1 ************************************** ** 2DM and Correlations calculation ** ************************************** N(N-1) = 182 and calculated by double trace of the 2DM-A = 182 Energy obtained by Heffective at edge = -106.191466575867 and as Econst + 0.5*trace(2DM-A*Ham) = -106.191466575867 NOON of irrep Ag = [ 1.99999399634722 , 1.99366238400275 , 1.87189918797992 ]. NOON of irrep B2g = [ 0.584816653999741 ]. NOON of irrep B3g = [ 0.584813725052002 ]. NOON of irrep B1u = [ 1.99999783392423 , 1.12096541790919 , 1.00219302322619 ]. NOON of irrep B2u = [ 1.42083017359964 ]. NOON of irrep B3u = [ 1.42082760395912 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 8.17159737753306e-05 , 0.0722151953392489 , 0.460795668521643 , 1.13076017154242 , 1.13075843315004 , 6.17497329566537e-05 , 0.977140413122658 , 0.735941805035878 , 1.12042626332515 , 1.12042738484717 ]. Idistance(0) = 5.65235760214973 Idistance(1) = 19.8383293885737 Idistance(2) = 88.8196306413534 ************************************** RMS difference FCI and DMRG determinant coefficients = 1.36046903636e-05 Info on DMRG::operators rm call to system: 0 FCI::Startup : Number of variables in the FCI vector = 1182 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.302592 MB memory. FCI::HamTimesVec : Wall time = 0.004969 seconds FCI::HamTimesVec : Wall time = 0.006319 seconds FCI::HamTimesVec : Wall time = 0.004633 seconds FCI::HamTimesVec : Wall time = 0.004386 seconds FCI::HamTimesVec : Wall time = 0.004897 seconds FCI::HamTimesVec : Wall time = 0.005115 seconds FCI::HamTimesVec : Wall time = 0.004775 seconds FCI::HamTimesVec : Wall time = 0.004678 seconds FCI::HamTimesVec : Wall time = 0.004936 seconds FCI::HamTimesVec : Wall time = 0.004638 seconds FCI::HamTimesVec : Wall time = 0.004361 seconds FCI::HamTimesVec : Wall time = 0.004677 seconds FCI::HamTimesVec : Wall time = 0.00443 seconds FCI::HamTimesVec : Wall time = 0.004606 seconds FCI::HamTimesVec : Wall time = 0.004687 seconds FCI::HamTimesVec : Wall time = 0.004415 seconds FCI::GSDavidson : Converged ground state energy = -107.346326115024 FCI::CalcSpinSquared : For intended spin 1 the measured S(S+1) = 2 and intended S(S+1) = 2 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2015 Sebastian Wouters This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 12 Energy at sites (8, 9) is -102.65888092752 Stats: nIt(DAVIDSON) = 26 Energy at sites (7, 8) is -106.588044307901 Stats: nIt(DAVIDSON) = 44 Energy at sites (6, 7) is -106.777786438147 Stats: nIt(DAVIDSON) = 56 Energy at sites (5, 6) is -107.265730078053 Stats: nIt(DAVIDSON) = 36 Energy at sites (4, 5) is -107.345699586567 Stats: nIt(DAVIDSON) = 18 Energy at sites (3, 4) is -107.345818198445 Stats: nIt(DAVIDSON) = 9 Energy at sites (2, 3) is -107.345820124345 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.345820124345 *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 2.222015 seconds *** |--> S.join = 0.001232 seconds *** |--> S.solve = 2.146658 seconds *** |--> S.split = 0.003255 seconds *** |--> Tensor update = 0.0687860000000001 seconds *** |--> create = 0.020285 seconds *** |--> destroy = 0.001092 seconds *** |--> disk write = 0.012239 seconds *** |--> disk read = 0.006324 seconds *** |--> calc = 0.0288 seconds *** Disk write bandwidth = 66.8997974584321 MB/s *** Disk read bandwidth = 128.899851152974 MB/s *** Minimum energy = -107.345820124345 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.345820124345 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.345820124345 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.345820124345 Stats: nIt(DAVIDSON) = 3 Energy at sites (3, 4) is -107.345820127675 Stats: nIt(DAVIDSON) = 4 Energy at sites (4, 5) is -107.345820163711 Stats: nIt(DAVIDSON) = 11 Energy at sites (5, 6) is -107.346319553673 Stats: nIt(DAVIDSON) = 5 Energy at sites (6, 7) is -107.346324487833 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346324487833 *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.455156 seconds *** |--> S.join = 0.001287 seconds *** |--> S.solve = 0.376943 seconds *** |--> S.split = 0.003734 seconds *** |--> Tensor update = 0.070983 seconds *** |--> create = 0.019688 seconds *** |--> destroy = 0.001267 seconds *** |--> disk write = 0.011327 seconds *** |--> disk read = 0.005635 seconds *** |--> calc = 0.033016 seconds *** Disk write bandwidth = 71.9663334238021 MB/s *** Disk read bandwidth = 145.303748197649 MB/s *** Minimum energy = -107.346324487833 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.346324487833 Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.346324487833 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346324487833 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.346324487833 Stats: nIt(DAVIDSON) = 4 Energy at sites (5, 6) is -107.34632449234 Stats: nIt(DAVIDSON) = 6 Energy at sites (4, 5) is -107.346326074654 Stats: nIt(DAVIDSON) = 4 Energy at sites (3, 4) is -107.346326102097 Stats: nIt(DAVIDSON) = 2 Energy at sites (2, 3) is -107.346326102111 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326102111 *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.299551 seconds *** |--> S.join = 0.004997 seconds *** |--> S.solve = 0.213538 seconds *** |--> S.split = 0.003128 seconds *** |--> Tensor update = 0.075589 seconds *** |--> create = 0.021937 seconds *** |--> destroy = 0.001172 seconds *** |--> disk write = 0.015186 seconds *** |--> disk read = 0.005998 seconds *** |--> calc = 0.03124 seconds *** Disk write bandwidth = 53.9172014417062 MB/s *** Disk read bandwidth = 135.905745030244 MB/s *** Minimum energy = -107.346326102111 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.346326102111 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326102111 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.346326102111 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.346326102111 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.34632610212 Stats: nIt(DAVIDSON) = 4 Energy at sites (5, 6) is -107.34632611414 Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -107.34632611487 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.34632611487 *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.197967 seconds *** |--> S.join = 0.001308 seconds *** |--> S.solve = 0.123711 seconds *** |--> S.split = 0.003905 seconds *** |--> Tensor update = 0.066831 seconds *** |--> create = 0.022592 seconds *** |--> destroy = 0.001201 seconds *** |--> disk write = 0.011517 seconds *** |--> disk read = 0.007495 seconds *** |--> calc = 0.023952 seconds *** Disk write bandwidth = 70.7790795078064 MB/s *** Disk read bandwidth = 109.24437906521 MB/s *** Minimum energy = -107.34632611487 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 1.6270366813842e-06 Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.34632611487 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.34632611487 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.34632611487 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.34632611487 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.346326115001 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.346326115001 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.346326115001 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326115001 *** Information on left sweep 2 of instruction 0: *** Elapsed wall time = 0.147741 seconds *** |--> S.join = 0.001256 seconds *** |--> S.solve = 0.075085 seconds *** |--> S.split = 0.002922 seconds *** |--> Tensor update = 0.065672 seconds *** |--> create = 0.020226 seconds *** |--> destroy = 0.001809 seconds *** |--> disk write = 0.010825 seconds *** |--> disk read = 0.006015 seconds *** |--> calc = 0.026759 seconds *** Disk write bandwidth = 75.638486937067 MB/s *** Disk read bandwidth = 135.52163901769 MB/s *** Minimum energy = -107.346326115001 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.346326115001 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326115001 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.346326115001 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.346326115001 Stats: nIt(DAVIDSON) = 1 Energy at sites (4, 5) is -107.346326115001 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.346326115001 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.346326115001 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326115001 *** Information on right sweep 2 of instruction 0: *** Elapsed wall time = 0.158539 seconds *** |--> S.join = 0.001242 seconds *** |--> S.solve = 0.078259 seconds *** |--> S.split = 0.003244 seconds *** |--> Tensor update = 0.073695 seconds *** |--> create = 0.020156 seconds *** |--> destroy = 0.001128 seconds *** |--> disk write = 0.013559 seconds *** |--> disk read = 0.006352 seconds *** |--> calc = 0.032449 seconds *** Disk write bandwidth = 60.1196739207468 MB/s *** Disk read bandwidth = 128.902175864885 MB/s *** Minimum energy = -107.346326115001 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 1.30995658764732e-10 Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.346326115001 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326115001 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.346326115001 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.346326115 Stats: nIt(DAVIDSON) = 1 Energy at sites (4, 5) is -107.346326115001 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.346326115001 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.346326115001 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326115001 *** Information on left sweep 3 of instruction 0: *** Elapsed wall time = 0.161222 seconds *** |--> S.join = 0.004713 seconds *** |--> S.solve = 0.073425 seconds *** |--> S.split = 0.003898 seconds *** |--> Tensor update = 0.075792 seconds *** |--> create = 0.020963 seconds *** |--> destroy = 0.00175 seconds *** |--> disk write = 0.014997 seconds *** |--> disk read = 0.008913 seconds *** |--> calc = 0.02911 seconds *** Disk write bandwidth = 54.596694078399 MB/s *** Disk read bandwidth = 91.4577200371824 MB/s *** Minimum energy = -107.346326115001 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.346326115001 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.346326115001 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.346326115001 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.346326115001 Stats: nIt(DAVIDSON) = 1 Energy at sites (4, 5) is -107.346326115001 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.346326115 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.346326115 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.346326115001 *** Information on right sweep 3 of instruction 0: *** Elapsed wall time = 0.131989 seconds *** |--> S.join = 0.001535 seconds *** |--> S.solve = 0.062679 seconds *** |--> S.split = 0.004709 seconds *** |--> Tensor update = 0.059709 seconds *** |--> create = 0.016541 seconds *** |--> destroy = 0.00153099999999999 seconds *** |--> disk write = 0.01027 seconds *** |--> disk read = 0.006129 seconds *** |--> calc = 0.025199 seconds *** Disk write bandwidth = 79.3731897459987 MB/s *** Disk read bandwidth = 133.592204453214 MB/s *** Minimum energy = -107.346326115001 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 5.6843418860808e-14 **************************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 2000 *** Minimum energy encountered during all instructions = -107.346326115001 *** Minimum energy encountered during the last sweep = -107.346326115001 *** Maximum discarded weight during the last sweep = 0 **************************************************************************** Stats: nIt(DAVIDSON) = 1 ************************************** ** 2DM and Correlations calculation ** ************************************** N(N-1) = 182 and calculated by double trace of the 2DM-A = 182 Energy obtained by Heffective at edge = -107.346326115001 and as Econst + 0.5*trace(2DM-A*Ham) = -107.346326115 NOON of irrep Ag = [ 1.99999018544492 , 1.99292177853337 , 1.03221254324117 ]. NOON of irrep B2g = [ 1.02415293439254 ]. NOON of irrep B3g = [ 0.0896928481952722 ]. NOON of irrep B1u = [ 1.99999295586544 , 1.95039191233914 , 0.0159493782295808 ]. NOON of irrep B2u = [ 1.91962220949145 ]. NOON of irrep B3u = [ 1.97507325426713 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322081431222 , 0.0447140092938931 , 0.838965624508656 , 0.790658378853396 , 0.317366866656604 , 9.24987998542132e-05 , 0.227632618275874 , 0.0907417474425707 , 0.299651008952289 , 0.133978499822045 ]. Idistance(0) = 1.57214784647787 Idistance(1) = 5.15802802851539 Idistance(2) = 21.9865210642733 ************************************** RMS difference FCI and DMRG determinant coefficients = 3.40726144837e-06 Info on DMRG::operators rm call to system: 0 FCI::Startup : Number of variables in the FCI vector = 1182 FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.302592 MB memory. FCI::HamTimesVec : Wall time = 0.004412 seconds FCI::HamTimesVec : Wall time = 0.003541 seconds FCI::HamTimesVec : Wall time = 0.003496 seconds FCI::HamTimesVec : Wall time = 0.004604 seconds FCI::HamTimesVec : Wall time = 0.003124 seconds FCI::HamTimesVec : Wall time = 0.003336 seconds FCI::HamTimesVec : Wall time = 0.003623 seconds FCI::HamTimesVec : Wall time = 0.003074 seconds FCI::HamTimesVec : Wall time = 0.003075 seconds FCI::HamTimesVec : Wall time = 0.003084 seconds FCI::HamTimesVec : Wall time = 0.003061 seconds FCI::HamTimesVec : Wall time = 0.003039 seconds FCI::HamTimesVec : Wall time = 0.003058 seconds FCI::HamTimesVec : Wall time = 0.003094 seconds FCI::HamTimesVec : Wall time = 0.003237 seconds FCI::HamTimesVec : Wall time = 0.003293 seconds FCI::HamTimesVec : Wall time = 0.003087 seconds FCI::HamTimesVec : Wall time = 0.003054 seconds FCI::HamTimesVec : Wall time = 0.003061 seconds FCI::GSDavidson : Converged ground state energy = -107.199617421919 FCI::CalcSpinSquared : For intended spin 1 the measured S(S+1) = 2 and intended S(S+1) = 2 CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry Copyright (C) 2013-2015 Sebastian Wouters This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. Stats: nIt(DAVIDSON) = 19 Energy at sites (8, 9) is -102.918238300743 Stats: nIt(DAVIDSON) = 28 Energy at sites (7, 8) is -106.6025531929 Stats: nIt(DAVIDSON) = 43 Energy at sites (6, 7) is -106.951100236313 Stats: nIt(DAVIDSON) = 68 Energy at sites (5, 6) is -107.183931681438 Stats: nIt(DAVIDSON) = 41 Energy at sites (4, 5) is -107.190937831744 Stats: nIt(DAVIDSON) = 41 Energy at sites (3, 4) is -107.199534331021 Stats: nIt(DAVIDSON) = 12 Energy at sites (2, 3) is -107.199554242489 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199554242489 *** Information on left sweep 0 of instruction 0: *** Elapsed wall time = 2.600242 seconds *** |--> S.join = 0.004075 seconds *** |--> S.solve = 2.518091 seconds *** |--> S.split = 0.003433 seconds *** |--> Tensor update = 0.072323 seconds *** |--> create = 0.020743 seconds *** |--> destroy = 0.001276 seconds *** |--> disk write = 0.013664 seconds *** |--> disk read = 0.008088 seconds *** |--> calc = 0.028497 seconds *** Disk write bandwidth = 61.5616872104046 MB/s *** Disk read bandwidth = 103.555258610364 MB/s *** Minimum energy = -107.199554242489 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.199554242489 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199554242489 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.199554242489 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.199554246928 Stats: nIt(DAVIDSON) = 8 Energy at sites (4, 5) is -107.199562664419 Stats: nIt(DAVIDSON) = 14 Energy at sites (5, 6) is -107.199596196759 Stats: nIt(DAVIDSON) = 10 Energy at sites (6, 7) is -107.199616673488 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199616673488 *** Information on right sweep 0 of instruction 0: *** Elapsed wall time = 0.484148 seconds *** |--> S.join = 0.001158 seconds *** |--> S.solve = 0.417624 seconds *** |--> S.split = 0.002948 seconds *** |--> Tensor update = 0.060473 seconds *** |--> create = 0.015675 seconds *** |--> destroy = 0.001354 seconds *** |--> disk write = 0.011053 seconds *** |--> disk read = 0.00747 seconds *** |--> calc = 0.024883 seconds *** Disk write bandwidth = 75.7762536542681 MB/s *** Disk read bandwidth = 112.607616337747 MB/s *** Minimum energy = -107.199616673488 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 107.199616673488 Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.199616673488 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199616673488 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.199616673488 Stats: nIt(DAVIDSON) = 13 Energy at sites (5, 6) is -107.199617344768 Stats: nIt(DAVIDSON) = 5 Energy at sites (4, 5) is -107.199617390414 Stats: nIt(DAVIDSON) = 5 Energy at sites (3, 4) is -107.199617421201 Stats: nIt(DAVIDSON) = 3 Energy at sites (2, 3) is -107.19961742143 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.19961742143 *** Information on left sweep 1 of instruction 0: *** Elapsed wall time = 0.382878 seconds *** |--> S.join = 0.001266 seconds *** |--> S.solve = 0.320257 seconds *** |--> S.split = 0.003171 seconds *** |--> Tensor update = 0.056222 seconds *** |--> create = 0.016105 seconds *** |--> destroy = 0.001061 seconds *** |--> disk write = 0.009375 seconds *** |--> disk read = 0.005973 seconds *** |--> calc = 0.02367 seconds *** Disk write bandwidth = 89.7257486979167 MB/s *** Disk read bandwidth = 140.223494331262 MB/s *** Minimum energy = -107.19961742143 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.19961742143 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.19961742143 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.19961742143 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.19961742143 Stats: nIt(DAVIDSON) = 2 Energy at sites (4, 5) is -107.199617421452 Stats: nIt(DAVIDSON) = 2 Energy at sites (5, 6) is -107.199617421678 Stats: nIt(DAVIDSON) = 2 Energy at sites (6, 7) is -107.199617421903 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199617421903 *** Information on right sweep 1 of instruction 0: *** Elapsed wall time = 0.350376 seconds *** |--> S.join = 0.001315 seconds *** |--> S.solve = 0.119976 seconds *** |--> S.split = 0.003493 seconds *** |--> Tensor update = 0.223149 seconds *** |--> create = 0.023239 seconds *** |--> destroy = 0.00155 seconds *** |--> disk write = 0.159659 seconds *** |--> disk read = 0.006102 seconds *** |--> calc = 0.032537 seconds *** Disk write bandwidth = 5.24589864423944 MB/s *** Disk read bandwidth = 137.852981652404 MB/s *** Minimum energy = -107.199617421903 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 7.48415146745174e-07 Stats: nIt(DAVIDSON) = 1 Energy at sites (8, 9) is -107.199617421903 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199617421903 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.199617421903 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.199617421904 Stats: nIt(DAVIDSON) = 1 Energy at sites (4, 5) is -107.199617421903 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.199617421903 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.199617421903 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199617421903 *** Information on left sweep 2 of instruction 0: *** Elapsed wall time = 0.174661 seconds *** |--> S.join = 0.005981 seconds *** |--> S.solve = 0.074213 seconds *** |--> S.split = 0.00415 seconds *** |--> Tensor update = 0.084286 seconds *** |--> create = 0.026822 seconds *** |--> destroy = 0.001847 seconds *** |--> disk write = 0.017134 seconds *** |--> disk read = 0.009925 seconds *** |--> calc = 0.028484 seconds *** Disk write bandwidth = 49.0941341218028 MB/s *** Disk read bandwidth = 84.3884062106423 MB/s *** Minimum energy = -107.199617421904 *** Maximum discarded weight = 0 Stats: nIt(DAVIDSON) = 1 Energy at sites (0, 1) is -107.199617421903 Stats: nIt(DAVIDSON) = 1 Energy at sites (1, 2) is -107.199617421903 Stats: nIt(DAVIDSON) = 1 Energy at sites (2, 3) is -107.199617421903 Stats: nIt(DAVIDSON) = 1 Energy at sites (3, 4) is -107.199617421903 Stats: nIt(DAVIDSON) = 1 Energy at sites (4, 5) is -107.199617421903 Stats: nIt(DAVIDSON) = 1 Energy at sites (5, 6) is -107.199617421903 Stats: nIt(DAVIDSON) = 1 Energy at sites (6, 7) is -107.199617421903 Stats: nIt(DAVIDSON) = 1 Energy at sites (7, 8) is -107.199617421903 *** Information on right sweep 2 of instruction 0: *** Elapsed wall time = 0.171618 seconds *** |--> S.join = 0.001366 seconds *** |--> S.solve = 0.079908 seconds *** |--> S.split = 0.003833 seconds *** |--> Tensor update = 0.084005 seconds *** |--> create = 0.023534 seconds *** |--> destroy = 0.00231 seconds *** |--> disk write = 0.015066 seconds *** |--> disk read = 0.009486 seconds *** |--> calc = 0.033539 seconds *** Disk write bandwidth = 55.5923889314101 MB/s *** Disk read bandwidth = 88.6758269073338 MB/s *** Minimum energy = -107.199617421903 *** Maximum discarded weight = 0 *** Energy difference with respect to previous leftright sweep = 2.8421709430404e-13 **************************************************************************** *** Information on completed instruction 0: *** The reduced virtual dimension DSU(2) = 2000 *** Minimum energy encountered during all instructions = -107.199617421904 *** Minimum energy encountered during the last sweep = -107.199617421903 *** Maximum discarded weight during the last sweep = 0 **************************************************************************** Stats: nIt(DAVIDSON) = 1 ************************************** ** 2DM and Correlations calculation ** ************************************** N(N-1) = 182 and calculated by double trace of the 2DM-A = 182 Energy obtained by Heffective at edge = -107.199617421903 and as Econst + 0.5*trace(2DM-A*Ham) = -107.199617421904 NOON of irrep Ag = [ 1.99998814649267 , 1.9892404115534 , 1.87687877448175 ]. NOON of irrep B2g = [ 0.139387864394343 ]. NOON of irrep B3g = [ 1.03112712579709 ]. NOON of irrep B1u = [ 1.99999431244642 , 1.10839142589366 , 0.0211636187614767 ]. NOON of irrep B2u = [ 1.96715833833384 ]. NOON of irrep B3u = [ 1.86666998184535 ]. Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149980558554347 , 0.0818410605322891 , 0.44962265181454 , 0.486645225814584 , 0.811028268865756 , 6.68867597234569e-05 , 0.962046330075813 , 0.112094695459497 , 0.167174652829591 , 0.475082615307234 ]. Idistance(0) = 2.38446039495542 Idistance(1) = 9.57998580366244 Idistance(2) = 47.8783938265021 ************************************** RMS difference FCI and DMRG determinant coefficients = 4.08860719313e-06 Info on DMRG::operators rm call to system: 0 ================> Did test 1 succeed : yes make[1]: Leaving directory '/«PKGBUILDDIR»' fakeroot debian/rules binary dh binary --with python2 dh_testroot dh_prep debian/rules override_dh_auto_install make[1]: Entering directory '/«PKGBUILDDIR»' dh_auto_install make[2]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[3]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 84%] Built target chemps2-base make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 84%] Built target chemps2-shared make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 84%] Built target chemps2-static make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 85%] Built target chemps2bin make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 87%] Built target test1 make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 88%] Built target test10 make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 90%] Built target test2 make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 91%] Built target test3 make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 92%] Built target test4 make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 94%] Built target test5 make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 95%] Built target test6 make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 97%] Built target test7 make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [ 98%] Built target test8 make[4]: Entering directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' make[4]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' [100%] Built target test9 make[3]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' Install the project... -- Install configuration: "None" -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/lib/x86_64-linux-gnu/libchemps2.so.1 -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/lib/x86_64-linux-gnu/libchemps2.so -- Removed runtime path from "/«PKGBUILDDIR»/debian/tmp/usr/lib/x86_64-linux-gnu/libchemps2.so.1" -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/lib/x86_64-linux-gnu/libchemps2.a -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2 -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Sobject.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DMRG.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorO.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorS0.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorS0Abase.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorDiag.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorQ.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorF0Cbase.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorA.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DMRGSCFintegrals.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Irreps.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorS1Bbase.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/ConvergenceScheme.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/EdmistonRuedenberg.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorF1Dbase.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorX.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Tensor.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorL.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/FourIndex.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DMRGSCFwtilde.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Hamiltonian.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/SyBookkeeper.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorD.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TwoDM.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DMRGSCFmatrix.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TwoIndex.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Gsl.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Heff.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorSwap.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Correlations.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Problem.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Initialize.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorK.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DIIS.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/FCI.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorGYZ.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorT.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorS1.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Lapack.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DMRGSCFindices.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DMRGSCFVmatRotations.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/MPIchemps2.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DMRGSCFoptions.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/MyHDF5.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/CASSCF.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorM.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TwoDMstorage.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Options.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorF0.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/DMRGSCFunitary.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorB.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorF1.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/Davidson.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/include/chemps2/TensorC.h -- Installing: /«PKGBUILDDIR»/debian/tmp/usr/bin/chemps2 -- Removed runtime path from "/«PKGBUILDDIR»/debian/tmp/usr/bin/chemps2" make[2]: Leaving directory '/«PKGBUILDDIR»/obj-x86_64-linux-gnu' # This will skip the build as it is already performed cd PyCheMPS2 && CPATH=../CheMPS2/include:/usr/include/hdf5/serial python2 setup.py install --root=../debian/tmp --install-layout=deb running install running build running build_py copying ReadinHamiltonianFCIDUMP.py -> build/lib.linux-x86_64-2.7 copying ReadinHamiltonianPsi4.py -> build/lib.linux-x86_64-2.7 running build_ext skipping 'PyCheMPS2.cpp' Cython extension (up-to-date) running install_lib creating ../debian/tmp/usr/lib/python2.7 creating ../debian/tmp/usr/lib/python2.7/dist-packages copying build/lib.linux-x86_64-2.7/PyCheMPS2.so -> ../debian/tmp/usr/lib/python2.7/dist-packages copying build/lib.linux-x86_64-2.7/ReadinHamiltonianFCIDUMP.py -> ../debian/tmp/usr/lib/python2.7/dist-packages copying build/lib.linux-x86_64-2.7/ReadinHamiltonianPsi4.py -> ../debian/tmp/usr/lib/python2.7/dist-packages byte-compiling ../debian/tmp/usr/lib/python2.7/dist-packages/ReadinHamiltonianFCIDUMP.py to ReadinHamiltonianFCIDUMP.pyc byte-compiling ../debian/tmp/usr/lib/python2.7/dist-packages/ReadinHamiltonianPsi4.py to ReadinHamiltonianPsi4.pyc running install_egg_info Writing ../debian/tmp/usr/lib/python2.7/dist-packages/CheMPS2-1.6.egg-info dh_numpy make[1]: Leaving directory '/«PKGBUILDDIR»' dh_install dh_installdocs debian/rules override_dh_installchangelogs make[1]: Entering directory '/«PKGBUILDDIR»' dh_installchangelogs -k CHANGELOG.md make[1]: Leaving directory '/«PKGBUILDDIR»' debian/rules override_dh_installman make[1]: Entering directory '/«PKGBUILDDIR»' dh_installman chemps2.1 make[1]: Leaving directory '/«PKGBUILDDIR»' dh_python2 I: dh_python2 fs:298: renaming PyCheMPS2.so to PyCheMPS2.x86_64-linux-gnu.so dh_perl dh_link dh_compress dh_fixperms dh_strip dh_strip debug symbol extraction: disabling for PPA build dh_strip debug symbol extraction: not enabling -a because /CurrentlyBuilding exists dh_strip debug symbol extraction: not doing anything since NO_PKG_MANGLE is given strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/CASSCF.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/CASSCFdebug.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/CASSCFnewtonraphson.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/ConvergenceScheme.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/Correlations.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/Davidson.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/DIIS.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/DMRG.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/DMRGmpsio.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/DMRGoperators.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/DMRGSCFindices.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/DMRGSCFintegrals.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/DMRGSCFmatrix.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/DMRGSCFoptions.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/DMRGSCFunitary.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/DMRGSCFVmatRotations.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/DMRGSCFwtilde.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/DMRGtechnics.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/EdmistonRuedenberg.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/FCI.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/FourIndex.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/Hamiltonian.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/Heff.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/HeffDiagonal.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/HeffDiagrams1.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/HeffDiagrams2.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/HeffDiagrams3.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/HeffDiagrams4.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/HeffDiagrams5.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/Initialize.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/Irreps.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/PrintLicense.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/Problem.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/Sobject.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/SyBookkeeper.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/TensorA.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/TensorB.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/TensorC.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/TensorD.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/TensorDiag.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/TensorF0Cbase.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/TensorF0.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/TensorF1.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/TensorF1Dbase.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/TensorGYZ.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/TensorK.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/TensorL.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/TensorM.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/TensorO.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/TensorQ.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/TensorS0Abase.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/TensorS0.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/TensorS1Bbase.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/TensorS1.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/TensorSwap.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/TensorT.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/TensorX.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/TwoDM.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/TwoDMstorage.cpp.o: plugin needed to handle lto object strip: debian/libchemps2-dev/usr/lib/x86_64-linux-gnu/stZXoNAy/TwoIndex.cpp.o: plugin needed to handle lto object dh_makeshlibs dpkg-gensymbols: warning: debian/libchemps2-1/DEBIAN/symbols doesn't match completely debian/libchemps2-1.symbols --- debian/libchemps2-1.symbols (libchemps2-1_1.6-1~ubuntu15.04.1~ppa1_amd64) +++ dpkg-gensymbolsR04dSK 2015-09-09 11:49:41.857605150 +0000 @@ -25,26 +25,26 @@ _ZN7CheMPS210TensorSwapD0Ev@Base 1.5 _ZN7CheMPS210TensorSwapD1Ev@Base 1.5 _ZN7CheMPS210TensorSwapD2Ev@Base 1.5 - (optional)_ZN7CheMPS211Hamiltonian19CreateAndFillFromH5ENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES6_S6_@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZN7CheMPS211Hamiltonian19CreateAndFillFromH5ENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES6_S6_@Base 1.5 (optional)_ZN7CheMPS211Hamiltonian19CreateAndFillFromH5ESsSsSs@Base 1.5 - (optional)_ZN7CheMPS211Hamiltonian24CreateAndFillFromFCIDUMPENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZN7CheMPS211Hamiltonian24CreateAndFillFromFCIDUMPENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 (optional)_ZN7CheMPS211Hamiltonian24CreateAndFillFromFCIDUMPESs@Base 1.5 - (optional)_ZN7CheMPS211Hamiltonian25CreateAndFillFromPsi4dumpENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZN7CheMPS211Hamiltonian25CreateAndFillFromPsi4dumpENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 (optional)_ZN7CheMPS211Hamiltonian25CreateAndFillFromPsi4dumpESs@Base 1.5 - (optional)_ZN7CheMPS211Hamiltonian4readENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES6_S6_@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZN7CheMPS211Hamiltonian4readENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES6_S6_@Base 1.5 (optional)_ZN7CheMPS211Hamiltonian4readESsSsSs@Base 1.5 _ZN7CheMPS211Hamiltonian7setTmatEiid@Base 1.5 _ZN7CheMPS211Hamiltonian7setVmatEiiiid@Base 1.5 _ZN7CheMPS211Hamiltonian9addToVmatEiiiid@Base 1.5 _ZN7CheMPS211Hamiltonian9setEconstEd@Base 1.5 - (optional)_ZN7CheMPS211HamiltonianC1ENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEi@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZN7CheMPS211HamiltonianC1ENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEi@Base 1.5 (optional)_ZN7CheMPS211HamiltonianC1ESsi@Base 1.5 - (optional)_ZN7CheMPS211HamiltonianC1EbNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES6_S6_@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZN7CheMPS211HamiltonianC1EbNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES6_S6_@Base 1.5 (optional)_ZN7CheMPS211HamiltonianC1EbSsSsSs@Base 1.5 _ZN7CheMPS211HamiltonianC1EiiPKi@Base 1.5 - (optional)_ZN7CheMPS211HamiltonianC2ENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEi@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZN7CheMPS211HamiltonianC2ENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEi@Base 1.5 (optional)_ZN7CheMPS211HamiltonianC2ESsi@Base 1.5 - (optional)_ZN7CheMPS211HamiltonianC2EbNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES6_S6_@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZN7CheMPS211HamiltonianC2EbNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES6_S6_@Base 1.5 (optional)_ZN7CheMPS211HamiltonianC2EbSsSsSs@Base 1.5 _ZN7CheMPS211HamiltonianC2EiiPKi@Base 1.5 _ZN7CheMPS211HamiltonianD0Ev@Base 1.5 @@ -67,7 +67,7 @@ _ZN7CheMPS212SyBookkeeperD2Ev@Base 1.5 _ZN7CheMPS212TwoDMstorage20calcNumberOfElementsEb@Base 1.5 _ZN7CheMPS212TwoDMstorage3setEiiiiiiiid@Base 1.5 - (optional)_ZN7CheMPS212TwoDMstorage4readENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZN7CheMPS212TwoDMstorage4readENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 (optional)_ZN7CheMPS212TwoDMstorage4readESs@Base 1.5 _ZN7CheMPS212TwoDMstorage5ClearEv@Base 1.5 _ZN7CheMPS212TwoDMstorageC1EiPKi@Base 1.5 @@ -147,13 +147,13 @@ _ZN7CheMPS214DMRGSCFoptions16setMaxIterationsEi@Base 1.5 _ZN7CheMPS214DMRGSCFoptions17setStartLocRandomEb@Base 1.5 _ZN7CheMPS214DMRGSCFoptions17setStateAveragingEb@Base 1.5 - (optional)_ZN7CheMPS214DMRGSCFoptions18setDIISStorageNameENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZN7CheMPS214DMRGSCFoptions18setDIISStorageNameENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 (optional)_ZN7CheMPS214DMRGSCFoptions18setDIISStorageNameESs@Base 1.5 _ZN7CheMPS214DMRGSCFoptions19setDumpCorrelationsEb@Base 1.5 _ZN7CheMPS214DMRGSCFoptions19setWhichActiveSpaceEi@Base 1.5 _ZN7CheMPS214DMRGSCFoptions20setGradientThresholdEd@Base 1.5 _ZN7CheMPS214DMRGSCFoptions21setDIISGradientBranchEd@Base 1.5 - (optional)_ZN7CheMPS214DMRGSCFoptions21setUnitaryStorageNameENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZN7CheMPS214DMRGSCFoptions21setUnitaryStorageNameENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 (optional)_ZN7CheMPS214DMRGSCFoptions21setUnitaryStorageNameESs@Base 1.5 _ZN7CheMPS214DMRGSCFoptions9setDoDIISEb@Base 1.5 _ZN7CheMPS214DMRGSCFoptionsC1Ev@Base 1.5 @@ -164,7 +164,7 @@ _ZN7CheMPS214DMRGSCFunitary13updateUnitaryEPdS1_S1_bb@Base 1.5 _ZN7CheMPS214DMRGSCFunitary23makeSureAllBlocksDetOneEPdS1_@Base 1.5 _ZN7CheMPS214DMRGSCFunitary24rotateActiveSpaceVectorsEPdS1_@Base 1.5 - (optional)_ZN7CheMPS214DMRGSCFunitary5loadUENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZN7CheMPS214DMRGSCFunitary5loadUENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 (optional)_ZN7CheMPS214DMRGSCFunitary5loadUESs@Base 1.5 _ZN7CheMPS214DMRGSCFunitary8getBlockEi@Base 1.5 _ZN7CheMPS214DMRGSCFunitaryC1EPNS_14DMRGSCFindicesE@Base 1.5 @@ -228,7 +228,7 @@ _ZN7CheMPS23FCID2Ev@Base 1.5 _ZN7CheMPS24DIIS12getLastLincoEv@Base 1.5 _ZN7CheMPS24DIIS14calculateParamEPd@Base 1.5 - (optional)_ZN7CheMPS24DIIS8loadDIISENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZN7CheMPS24DIIS8loadDIISENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 (optional)_ZN7CheMPS24DIIS8loadDIISESs@Base 1.5 _ZN7CheMPS24DIIS9appendNewEPdS1_@Base 1.5 _ZN7CheMPS24DIISC1Eiii@Base 1.5 @@ -247,9 +247,9 @@ _ZN7CheMPS24DMRG16trianglefunctionEii@Base 1.5 _ZN7CheMPS24DMRG16updateMovingLeftEi@Base 1.5 _ZN7CheMPS24DMRG17updateMovingRightEi@Base 1.5 - (optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHEiiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.6 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHEiiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.6 (optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHEiiPPNS_6TensorExSs@Base 1.6 - (optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHEiiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.6 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHEiiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.6 (optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHEiiPPNS_6TensorExSs@Base 1.6 _ZN7CheMPS24DMRG19activateExcitationsEi@Base 1.5 _ZN7CheMPS24DMRG19prepare_excitationsEPNS_7SobjectE@Base 1.5 @@ -263,15 +263,15 @@ _ZN7CheMPS24DMRG27calcOverlapsWithLowerStatesEv@Base 1.5 _ZN7CheMPS24DMRG30updateMovingRightSafeFirstTimeEi@Base 1.5 _ZN7CheMPS24DMRG5SolveEv@Base 1.5 - (optional)_ZN7CheMPS24DMRG7loadDIMENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEPNS_12SyBookkeeperE@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZN7CheMPS24DMRG7loadDIMENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEPNS_12SyBookkeeperE@Base 1.5 (optional)_ZN7CheMPS24DMRG7loadDIMESsPNS_12SyBookkeeperE@Base 1.5 - (optional)_ZN7CheMPS24DMRG7loadMPSENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEPPNS_7TensorTEPb@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZN7CheMPS24DMRG7loadMPSENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEPPNS_7TensorTEPb@Base 1.5 (optional)_ZN7CheMPS24DMRG7loadMPSESsPPNS_7TensorTEPb@Base 1.5 _ZN7CheMPS24DMRG8PreSolveEv@Base 1.5 _ZN7CheMPS24DMRG9sweepleftEbib@Base 1.5 - (optional)_ZN7CheMPS24DMRGC1EPNS_7ProblemEPNS_17ConvergenceSchemeEbNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZN7CheMPS24DMRGC1EPNS_7ProblemEPNS_17ConvergenceSchemeEbNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 (optional)_ZN7CheMPS24DMRGC1EPNS_7ProblemEPNS_17ConvergenceSchemeEbSs@Base 1.5 - (optional)_ZN7CheMPS24DMRGC2EPNS_7ProblemEPNS_17ConvergenceSchemeEbNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZN7CheMPS24DMRGC2EPNS_7ProblemEPNS_17ConvergenceSchemeEbNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 (optional)_ZN7CheMPS24DMRGC2EPNS_7ProblemEPNS_17ConvergenceSchemeEbSs@Base 1.5 _ZN7CheMPS24DMRGD0Ev@Base 1.5 _ZN7CheMPS24DMRGD1Ev@Base 1.5 @@ -325,7 +325,7 @@ _ZN7CheMPS26CASSCF14rotateOldToNewEPNS_13DMRGSCFmatrixE@Base 1.5 _ZN7CheMPS26CASSCF15rotate2DMand1DMEiiPdS1_S1_S1_@Base 1.5 _ZN7CheMPS26CASSCF17getNumberOfIrrepsEv@Base 1.5 - (optional)_ZN7CheMPS26CASSCF18allocateAndFillOCCENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZN7CheMPS26CASSCF18allocateAndFillOCCENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 _ZN7CheMPS26CASSCF18allocateAndFillOCCEPiS1_@Base 1.5 (optional)_ZN7CheMPS26CASSCF18allocateAndFillOCCESs@Base 1.5 _ZN7CheMPS26CASSCF18augmentedHessianNREPKNS_13DMRGSCFmatrixEPKNS_13DMRGSCFwtildeEPKNS_14DMRGSCFindicesEPKNS_14DMRGSCFunitaryEPdSD_SD_@Base 1.5 @@ -336,23 +336,23 @@ _ZN7CheMPS26CASSCF7checkHFEv@Base 1.5 _ZN7CheMPS26CASSCF8calcNOONEPNS_14DMRGSCFindicesEPdS3_S3_@Base 1.5 _ZN7CheMPS26CASSCF9buildFmatEPNS_13DMRGSCFmatrixEPKS1_S4_S4_PKNS_14DMRGSCFindicesEPKNS_16DMRGSCFintegralsEPdSB_@Base 1.5 - (optional)_ZN7CheMPS26CASSCFC1ENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZN7CheMPS26CASSCFC1ENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 _ZN7CheMPS26CASSCFC1EPNS_11HamiltonianEPiS3_@Base 1.5 (optional)_ZN7CheMPS26CASSCFC1ESs@Base 1.5 - (optional)_ZN7CheMPS26CASSCFC2ENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZN7CheMPS26CASSCFC2ENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 _ZN7CheMPS26CASSCFC2EPNS_11HamiltonianEPiS3_@Base 1.5 (optional)_ZN7CheMPS26CASSCFC2ESs@Base 1.5 _ZN7CheMPS26CASSCFD0Ev@Base 1.5 _ZN7CheMPS26CASSCFD1Ev@Base 1.5 _ZN7CheMPS26CASSCFD2Ev@Base 1.5 - (optional)_ZN7CheMPS26Irreps12getGroupNameB5cxx11Ei@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZN7CheMPS26Irreps12getGroupNameB5cxx11Ei@Base 1.5 (optional)_ZN7CheMPS26Irreps12getGroupNameEi@Base 1.5 - (optional)_ZN7CheMPS26Irreps15symm_psi2molproEPiNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.6 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZN7CheMPS26Irreps15symm_psi2molproEPiNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.6 (optional)_ZN7CheMPS26Irreps15symm_psi2molproEPiSs@Base 1.6 _ZN7CheMPS26Irreps17getNumberOfIrrepsEi@Base 1.5 - (optional)_ZN7CheMPS26Irreps19getGroupNamePrivateB5cxx11Ei@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZN7CheMPS26Irreps19getGroupNamePrivateB5cxx11Ei@Base 1.5 (optional)_ZN7CheMPS26Irreps19getGroupNamePrivateEi@Base 1.5 - (optional)_ZN7CheMPS26Irreps19getIrrepNamePrivateB5cxx11Eii@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZN7CheMPS26Irreps19getIrrepNamePrivateB5cxx11Eii@Base 1.5 (optional)_ZN7CheMPS26Irreps19getIrrepNamePrivateEii@Base 1.5 _ZN7CheMPS26Irreps8printAllEv@Base 1.5 _ZN7CheMPS26Irreps8setGroupEi@Base 1.5 @@ -554,7 +554,7 @@ _ZN7CheMPS28TensorS1D1Ev@Base 1.5 _ZN7CheMPS28TensorS1D2Ev@Base 1.5 _ZN7CheMPS28TwoIndex3setEiiid@Base 1.5 - (optional)_ZN7CheMPS28TwoIndex4readENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZN7CheMPS28TwoIndex4readENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 (optional)_ZN7CheMPS28TwoIndex4readESs@Base 1.5 _ZN7CheMPS28TwoIndex5ClearEv@Base 1.5 _ZN7CheMPS28TwoIndexC1EiPKi@Base 1.5 @@ -565,7 +565,7 @@ _ZN7CheMPS29FourIndex26calcNumberOfUniqueElementsEb@Base 1.5 _ZN7CheMPS29FourIndex3addEiiiiiiiid@Base 1.5 _ZN7CheMPS29FourIndex3setEiiiiiiiid@Base 1.5 - (optional)_ZN7CheMPS29FourIndex4readENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZN7CheMPS29FourIndex4readENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 (optional)_ZN7CheMPS29FourIndex4readESs@Base 1.5 _ZN7CheMPS29FourIndex5ClearEv@Base 1.5 _ZN7CheMPS29FourIndexC1EiPKi@Base 1.5 @@ -590,11 +590,11 @@ _ZNK7CheMPS210TensorSwap6gKappaEiiiiii@Base 1.5 _ZNK7CheMPS210TensorSwap7gNKappaEv@Base 1.5 _ZNK7CheMPS211Hamiltonian10debugcheckEv@Base 1.5 - (optional)_ZNK7CheMPS211Hamiltonian12writeFCIDUMPENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEiii@Base 1.6 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZNK7CheMPS211Hamiltonian12writeFCIDUMPENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEiii@Base 1.6 (optional)_ZNK7CheMPS211Hamiltonian12writeFCIDUMPESsiii@Base 1.6 _ZNK7CheMPS211Hamiltonian15getOrbitalIrrepEi@Base 1.5 _ZNK7CheMPS211Hamiltonian4getLEv@Base 1.5 - (optional)_ZNK7CheMPS211Hamiltonian4saveENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES6_S6_@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZNK7CheMPS211Hamiltonian4saveENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES6_S6_@Base 1.5 (optional)_ZNK7CheMPS211Hamiltonian4saveESsSsSs@Base 1.5 _ZNK7CheMPS211Hamiltonian7getTmatEii@Base 1.5 _ZNK7CheMPS211Hamiltonian7getVmatEiiii@Base 1.5 @@ -638,7 +638,7 @@ _ZNK7CheMPS212SyBookkeeper8gTwoSminEii@Base 1.5 _ZNK7CheMPS212TwoDMstorage10getPointerEiiiiiiii@Base 1.5 _ZNK7CheMPS212TwoDMstorage3getEiiiiiiii@Base 1.5 - (optional)_ZNK7CheMPS212TwoDMstorage4saveENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZNK7CheMPS212TwoDMstorage4saveENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 (optional)_ZNK7CheMPS212TwoDMstorage4saveESs@Base 1.5 _ZNK7CheMPS213DMRGSCFmatrix3getEiii@Base 1.5 _ZNK7CheMPS213DMRGSCFwtilde3getEiiiiii@Base 1.5 @@ -680,13 +680,13 @@ _ZNK7CheMPS214DMRGSCFoptions16getMaxIterationsEv@Base 1.5 _ZNK7CheMPS214DMRGSCFoptions17getStartLocRandomEv@Base 1.5 _ZNK7CheMPS214DMRGSCFoptions17getStateAveragingEv@Base 1.5 - (optional)_ZNK7CheMPS214DMRGSCFoptions18getDIISStorageNameB5cxx11Ev@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZNK7CheMPS214DMRGSCFoptions18getDIISStorageNameB5cxx11Ev@Base 1.5 (optional)_ZNK7CheMPS214DMRGSCFoptions18getDIISStorageNameEv@Base 1.5 _ZNK7CheMPS214DMRGSCFoptions19getDumpCorrelationsEv@Base 1.5 _ZNK7CheMPS214DMRGSCFoptions19getWhichActiveSpaceEv@Base 1.5 _ZNK7CheMPS214DMRGSCFoptions20getGradientThresholdEv@Base 1.5 _ZNK7CheMPS214DMRGSCFoptions21getDIISGradientBranchEv@Base 1.5 - (optional)_ZNK7CheMPS214DMRGSCFoptions21getUnitaryStorageNameB5cxx11Ev@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZNK7CheMPS214DMRGSCFoptions21getUnitaryStorageNameB5cxx11Ev@Base 1.5 (optional)_ZNK7CheMPS214DMRGSCFoptions21getUnitaryStorageNameEv@Base 1.5 _ZNK7CheMPS214DMRGSCFoptions9getDoDIISEv@Base 1.5 _ZNK7CheMPS214DMRGSCFunitary13getFirstIndexEi@Base 1.5 @@ -694,11 +694,11 @@ _ZNK7CheMPS214DMRGSCFunitary14getLinearIndexEii@Base 1.5 _ZNK7CheMPS214DMRGSCFunitary14getSecondIndexEi@Base 1.5 _ZNK7CheMPS214DMRGSCFunitary16getNumVariablesXEv@Base 1.5 - (optional)_ZNK7CheMPS214DMRGSCFunitary19deleteStoredUnitaryENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZNK7CheMPS214DMRGSCFunitary19deleteStoredUnitaryENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 (optional)_ZNK7CheMPS214DMRGSCFunitary19deleteStoredUnitaryESs@Base 1.5 _ZNK7CheMPS214DMRGSCFunitary25CheckDeviationFromUnitaryEPd@Base 1.5 _ZNK7CheMPS214DMRGSCFunitary3BCHEPdS1_S1_S1_S1_@Base 1.5 - (optional)_ZNK7CheMPS214DMRGSCFunitary5saveUENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZNK7CheMPS214DMRGSCFunitary5saveUENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 (optional)_ZNK7CheMPS214DMRGSCFunitary5saveUESs@Base 1.5 _ZNK7CheMPS214DMRGSCFunitary6getLogEPdS1_S1_@Base 1.5 _ZNK7CheMPS214DMRGSCFunitary9getJumperEii@Base 1.5 @@ -747,15 +747,15 @@ _ZNK7CheMPS24DIIS10getNumVecsEv@Base 1.5 _ZNK7CheMPS24DIIS15getNumVarsErrorEv@Base 1.5 _ZNK7CheMPS24DIIS15getNumVarsParamEv@Base 1.5 - (optional)_ZNK7CheMPS24DIIS16deleteStoredDIISENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZNK7CheMPS24DIIS16deleteStoredDIISENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 (optional)_ZNK7CheMPS24DIIS16deleteStoredDIISESs@Base 1.5 _ZNK7CheMPS24DIIS17getCurrentNumVecsEv@Base 1.5 - (optional)_ZNK7CheMPS24DIIS8saveDIISENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZNK7CheMPS24DIIS8saveDIISENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 (optional)_ZNK7CheMPS24DIIS8saveDIISESs@Base 1.5 _ZNK7CheMPS24DMRG17getFCIcoefficientEPiS1_b@Base 1.5 _ZNK7CheMPS24DMRG19cleanup_excitationsEPPd@Base 1.5 _ZNK7CheMPS24DMRG22getSpecificCoefficientEPi@Base 1.5 - (optional)_ZNK7CheMPS24DMRG7saveMPSENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEPPNS_7TensorTEPNS_12SyBookkeeperEb@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZNK7CheMPS24DMRG7saveMPSENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEPPNS_7TensorTEPNS_12SyBookkeeperEb@Base 1.5 (optional)_ZNK7CheMPS24DMRG7saveMPSESsPPNS_7TensorTEPNS_12SyBookkeeperEb@Base 1.5 _ZNK7CheMPS24Heff12addDiagram1AEiPdS1_PKNS_7SobjectEPNS_7TensorXE@Base 1.5 _ZNK7CheMPS24Heff12addDiagram1BEiPdS1_PKNS_7SobjectEPNS_7TensorXE@Base 1.5 @@ -846,15 +846,15 @@ _ZNK7CheMPS24Heff8makeHeffEPdS1_PKNS_7SobjectEPPPNS_7TensorLEPPPPNS_7TensorAEPPPPNS_7TensorBEPPPPNS_7TensorCEPPPPNS_7TensorDEPPPPNS_8TensorS0EPPPPNS_8TensorS1EPPPPNS_8TensorF0EPPPPNS_8TensorF1EPPPNS_7TensorQEPPNS_7TensorXEiPS1_@Base 1.5 _ZNK7CheMPS25TwoDM13getTwoDMA_HAMEiiii@Base 1.5 _ZNK7CheMPS25TwoDM13getTwoDMB_HAMEiiii@Base 1.5 - (optional)_ZNK7CheMPS25TwoDM13write2DMAfileENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.6 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZNK7CheMPS25TwoDM13write2DMAfileENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.6 (optional)_ZNK7CheMPS25TwoDM13write2DMAfileESs@Base 1.6 _ZNK7CheMPS25TwoDM14getTwoDMA_DMRGEiiii@Base 1.5 _ZNK7CheMPS25TwoDM14getTwoDMB_DMRGEiiii@Base 1.5 _ZNK7CheMPS25TwoDM9printNOONEv@Base 1.6 _ZNK7CheMPS26CASSCF20fillConstAndTmatDMRGEPNS_11HamiltonianE@Base 1.5 - (optional)_ZNK7CheMPS26Irreps12getGroupNameB5cxx11Ev@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZNK7CheMPS26Irreps12getGroupNameB5cxx11Ev@Base 1.5 (optional)_ZNK7CheMPS26Irreps12getGroupNameEv@Base 1.5 - (optional)_ZNK7CheMPS26Irreps12getIrrepNameB5cxx11Ei@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZNK7CheMPS26Irreps12getIrrepNameB5cxx11Ei@Base 1.5 (optional)_ZNK7CheMPS26Irreps12getIrrepNameEi@Base 1.5 _ZNK7CheMPS26Irreps14getGroupNumberEv@Base 1.5 _ZNK7CheMPS26Irreps14getIsActivatedEv@Base 1.5 @@ -892,7 +892,7 @@ _ZNK7CheMPS27TensorT7gNKappaEv@Base 1.5 _ZNK7CheMPS28Davidson21GetNumMultiplicationsEv@Base 1.5 _ZNK7CheMPS28TwoIndex3getEiii@Base 1.5 - (optional)_ZNK7CheMPS28TwoIndex4saveENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZNK7CheMPS28TwoIndex4saveENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 (optional)_ZNK7CheMPS28TwoIndex4saveESs@Base 1.5 _ZNK7CheMPS29FourIndex10getPointerEiiiiiiii@Base 1.5 _ZNK7CheMPS29FourIndex12getPtrAllOK1Eiiiiiii@Base 1.5 @@ -900,7 +900,7 @@ _ZNK7CheMPS29FourIndex12getPtrAllOK5Eiiiiiii@Base 1.5 _ZNK7CheMPS29FourIndex18getPtrIrrepOrderOKEiiiiiiii@Base 1.5 _ZNK7CheMPS29FourIndex3getEiiiiiiii@Base 1.5 - (optional)_ZNK7CheMPS29FourIndex4saveENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 +#MISSING: 1.6-1~ubuntu15.04.1~ppa1# (optional)_ZNK7CheMPS29FourIndex4saveENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 (optional)_ZNK7CheMPS29FourIndex4saveESs@Base 1.5 _ZTIN7CheMPS210InitializeE@Base 1.5 _ZTIN7CheMPS210TensorDiagE@Base 1.5 dh_shlibdeps dh_installdeb dh_gencontrol dpkg-gencontrol: warning: File::FcntlLock not available; using flock which is not NFS-safe dpkg-gencontrol: warning: package libchemps2-1: unused substitution variable ${misc:Pre-Depends} dpkg-gencontrol: warning: package libchemps2-1: unused substitution variable ${python:Depends} dpkg-gencontrol: warning: Depends field of package libchemps2-dev: unknown substitution variable ${shlibs:Depends} dpkg-gencontrol: warning: File::FcntlLock not available; using flock which is not NFS-safe dpkg-gencontrol: warning: package libchemps2-dev: unused substitution variable ${python:Depends} dpkg-gencontrol: warning: Depends field of package chemps2-doc: unknown substitution variable ${sphinxdoc:Depends} dpkg-gencontrol: warning: File::FcntlLock not available; using flock which is not NFS-safe dpkg-gencontrol: warning: package chemps2-doc: unused substitution variable ${python:Depends} dpkg-gencontrol: warning: File::FcntlLock not available; using flock which is not NFS-safe dpkg-gencontrol: warning: package chemps2: unused substitution variable ${python:Depends} dpkg-gencontrol: warning: File::FcntlLock not available; using flock which is not NFS-safe dpkg-gencontrol: warning: package python-chemps2: unused substitution variable ${python:Provides} dpkg-gencontrol: warning: package python-chemps2: unused substitution variable ${python:Versions} dh_gencontrol debug symbol wrapper: all non-arch-all packages for this build platform amd64: libchemps2-1 libchemps2-dev chemps2 python-chemps2 dh_gencontrol debug symbol wrapper: packages to act on: libchemps2-1 libchemps2-dev chemps2 python-chemps2 dh_gencontrol debug symbol wrapper: ignored packages: dh_gencontrol debug symbol wrapper: no debian/libchemps2-1-dbgsym, skipping package libchemps2-1 dh_gencontrol debug symbol wrapper: no debian/libchemps2-dev-dbgsym, skipping package libchemps2-dev dh_gencontrol debug symbol wrapper: no debian/chemps2-dbgsym, skipping package chemps2 dh_gencontrol debug symbol wrapper: no debian/python-chemps2-dbgsym, skipping package python-chemps2 dh_md5sums dh_builddeb INFO: pkgstriptranslations version 121 INFO: Disabling pkgstriptranslations for PPA build INFO: Disabling pkgmaintainermangler for PPA build INFO: Disabling pkgstripfiles for PPA build dpkg-deb: building package `libchemps2-1' in `../libchemps2-1_1.6-1~ubuntu15.04.1~ppa1_amd64.deb'. INFO: pkgstriptranslations version 121 INFO: Disabling pkgstriptranslations for PPA build INFO: Disabling pkgmaintainermangler for PPA build INFO: Disabling pkgstripfiles for PPA build dpkg-deb: building package `libchemps2-dev' in `../libchemps2-dev_1.6-1~ubuntu15.04.1~ppa1_amd64.deb'. INFO: pkgstriptranslations version 121 INFO: Disabling pkgstriptranslations for PPA build INFO: Disabling pkgmaintainermangler for PPA build INFO: Disabling pkgstripfiles for PPA build dpkg-deb: building package `chemps2-doc' in `../chemps2-doc_1.6-1~ubuntu15.04.1~ppa1_all.deb'. INFO: pkgstriptranslations version 121 INFO: Disabling pkgstriptranslations for PPA build INFO: Disabling pkgmaintainermangler for PPA build INFO: Disabling pkgstripfiles for PPA build dpkg-deb: building package `chemps2' in `../chemps2_1.6-1~ubuntu15.04.1~ppa1_amd64.deb'. INFO: pkgstriptranslations version 121 INFO: Disabling pkgstriptranslations for PPA build INFO: Disabling pkgmaintainermangler for PPA build INFO: Disabling pkgstripfiles for PPA build dpkg-deb: building package `python-chemps2' in `../python-chemps2_1.6-1~ubuntu15.04.1~ppa1_amd64.deb'. dpkg-genchanges -b -mLaunchpad Build Daemon >../chemps2_1.6-1~ubuntu15.04.1~ppa1_amd64.changes dpkg-genchanges: warning: the current version (1.6-1~ubuntu15.04.1~ppa1) is earlier than the previous one (1.6-1) dpkg-genchanges: binary-only upload (no source code included) dpkg-source --after-build chemps2-1.6 dpkg-buildpackage: binary-only upload (no source included) ──────────────────────────────────────────────────────────────────────────────── Build finished at 20150909-1150 Finished ──────── I: Built successfully ┌──────────────────────────────────────────────────────────────────────────────┐ │ Post Build Chroot │ └──────────────────────────────────────────────────────────────────────────────┘ ┌──────────────────────────────────────────────────────────────────────────────┐ │ Changes │ └──────────────────────────────────────────────────────────────────────────────┘ chemps2_1.6-1~ubuntu15.04.1~ppa1_amd64.changes: ─────────────────────────────────────────────── Format: 1.8 Date: Wed, 09 Sep 2015 13:43:52 +0200 Source: chemps2 Binary: libchemps2-1 libchemps2-dev chemps2-doc chemps2 python-chemps2 Architecture: amd64 all Version: 1.6-1~ubuntu15.04.1~ppa1 Distribution: vivid Urgency: medium Maintainer: Launchpad Build Daemon Changed-By: Graham Inggs Description: chemps2 - Executable to call libchemps2-1 from the command line chemps2-doc - Documentation of the libchemps2-1 package libchemps2-1 - Spin-adapted DMRG for ab initio quantum chemistry libchemps2-dev - C++ headers, static library, and symlink for libchemps2-1 python-chemps2 - Python 2 interface for libchemps2-1 Changes: chemps2 (1.6-1~ubuntu15.04.1~ppa1) vivid; urgency=medium . * No-change backport to vivid Checksums-Sha1: 29582f8866bda4d593bdfb66da4546c2c16c60a3 322940 libchemps2-1_1.6-1~ubuntu15.04.1~ppa1_amd64.deb ef5e0f36ca681793a5c39583e6f1c79aaca17cb5 4889256 libchemps2-dev_1.6-1~ubuntu15.04.1~ppa1_amd64.deb 382a57688be4383b8177dc99be5804aaf9a5a4c6 103226 chemps2-doc_1.6-1~ubuntu15.04.1~ppa1_all.deb 99c5c56e55bd3ab3428f4250e1de6488c28d04b3 12366 chemps2_1.6-1~ubuntu15.04.1~ppa1_amd64.deb 57d04a31e37f74c4863ce7baa9fbd7ee911eac8e 66716 python-chemps2_1.6-1~ubuntu15.04.1~ppa1_amd64.deb Checksums-Sha256: adb606af3d6f7048f0bbf7be4901ca39cb8064513519934573b8e838f69bfdf7 322940 libchemps2-1_1.6-1~ubuntu15.04.1~ppa1_amd64.deb d8d01c8479a04d841ff2f95d24ff105493a7f9c895468e2de82bb3b864ed0558 4889256 libchemps2-dev_1.6-1~ubuntu15.04.1~ppa1_amd64.deb b6aa7f3337798f8675d0132f9a3e68c4f9b9d206bfa236bbb14bc136bb6c7e26 103226 chemps2-doc_1.6-1~ubuntu15.04.1~ppa1_all.deb e2cbcddb073bb0f1590d66a80e7ec5138f674a5c46b56ada6a5fa9de98c0b992 12366 chemps2_1.6-1~ubuntu15.04.1~ppa1_amd64.deb 0abe581e6d973e9135a8377b47bd30b0ed73a0058c668b72737aa22753117129 66716 python-chemps2_1.6-1~ubuntu15.04.1~ppa1_amd64.deb Files: 7c4e8bb3c39015a2f3bf3e5b71b5d1ab 322940 libs optional libchemps2-1_1.6-1~ubuntu15.04.1~ppa1_amd64.deb 0af9f6b85e2672f675849833d4a187ac 4889256 libdevel optional libchemps2-dev_1.6-1~ubuntu15.04.1~ppa1_amd64.deb e8620140edb859d8a80d8fb954b8efe5 103226 doc optional chemps2-doc_1.6-1~ubuntu15.04.1~ppa1_all.deb bfb2a29d5ccffee15a322a029afd920f 12366 science optional chemps2_1.6-1~ubuntu15.04.1~ppa1_amd64.deb 84ff6e671effc759a3b0d07ec45a8adf 66716 python optional python-chemps2_1.6-1~ubuntu15.04.1~ppa1_amd64.deb ┌──────────────────────────────────────────────────────────────────────────────┐ │ Package contents │ └──────────────────────────────────────────────────────────────────────────────┘ libchemps2-1_1.6-1~ubuntu15.04.1~ppa1_amd64.deb ─────────────────────────────────────────────── new debian package, version 2.0. size 322940 bytes: control archive=10660 bytes. 1664 bytes, 33 lines control 441 bytes, 6 lines md5sums 135 bytes, 7 lines * postinst #!/bin/sh 132 bytes, 7 lines * postrm #!/bin/sh 26 bytes, 1 lines shlibs 54750 bytes, 1007 lines symbols Package: libchemps2-1 Source: chemps2 Version: 1.6-1~ubuntu15.04.1~ppa1 Architecture: amd64 Maintainer: Debichem Team Installed-Size: 1043 Depends: libatlas3-base, libc6 (>= 2.14), libgcc1 (>= 1:4.1.1), libgomp1 (>= 4.9), libgsl0ldbl (>= 1.9), libhdf5-8, liblapack3 | liblapack.so.3, libstdc++6 (>= 4.9) Suggests: chemps2-doc Section: libs Priority: optional Homepage: http://sebwouters.github.io/CheMPS2/index.html Description: Spin-adapted DMRG for ab initio quantum chemistry chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI): up to 40 electrons in 40 orbitals for general active spaces; and up to 100 electrons in 100 orbitals for one-dimensional active spaces, such as the pi-system of all-trans polyenes. . For an input Hamiltonian and targeted symmetry sector, the library performs successive DMRG sweeps according to a user-defined convergence scheme. As output, the library returns the minimal encountered energy as well as the second order reduced density matrix (2-RDM) of the active space. With the latter, various molecular properties can be calculated, as well as the gradient and Hessian for orbital rotations or nuclear displacements. In addition, several correlation functions can be obtained to investigate the electronic structure in the active space. . This version of chemps2 is parallelized for shared memory architectures with OpenMP. drwxr-xr-x root/root 0 2015-09-09 11:49 ./ drwxr-xr-x root/root 0 2015-09-09 11:49 ./usr/ drwxr-xr-x root/root 0 2015-09-09 11:49 ./usr/lib/ drwxr-xr-x root/root 0 2015-09-09 11:49 ./usr/lib/x86_64-linux-gnu/ -rw-r--r-- root/root 957376 2015-09-09 11:49 ./usr/lib/x86_64-linux-gnu/libchemps2.so.1 drwxr-xr-x root/root 0 2015-09-09 11:49 ./usr/share/ drwxr-xr-x root/root 0 2015-09-09 11:49 ./usr/share/doc/ drwxr-xr-x root/root 0 2015-09-09 11:49 ./usr/share/doc/libchemps2-1/ lrwxrwxrwx root/root 0 2015-09-09 11:49 ./usr/share/doc/libchemps2-1/CHANGELOG.md.gz -> changelog.gz -rw-r--r-- root/root 9159 2015-08-26 22:55 ./usr/share/doc/libchemps2-1/README.md.gz -rw-r--r-- root/root 591 2015-09-09 11:43 ./usr/share/doc/libchemps2-1/changelog.Debian.gz -rw-r--r-- root/root 555 2015-08-26 22:55 ./usr/share/doc/libchemps2-1/changelog.gz -rw-r--r-- root/root 1292 2015-09-03 11:31 ./usr/share/doc/libchemps2-1/copyright drwxr-xr-x root/root 0 2015-09-09 11:49 ./usr/share/man/ drwxr-xr-x root/root 0 2015-09-09 11:49 ./usr/share/man/man1/ -rw-r--r-- root/root 2073 2015-09-09 11:49 ./usr/share/man/man1/chemps2.1.gz libchemps2-dev_1.6-1~ubuntu15.04.1~ppa1_amd64.deb ───────────────────────────────────────────────── new debian package, version 2.0. size 4889256 bytes: control archive=2711 bytes. 1378 bytes, 30 lines control 3877 bytes, 58 lines md5sums Package: libchemps2-dev Source: chemps2 Version: 1.6-1~ubuntu15.04.1~ppa1 Architecture: amd64 Maintainer: Debichem Team Installed-Size: 5880 Depends: libchemps2-1 (= 1.6-1~ubuntu15.04.1~ppa1) Suggests: chemps2-doc Section: libdevel Priority: optional Homepage: http://sebwouters.github.io/CheMPS2/index.html Description: C++ headers, static library, and symlink for libchemps2-1 chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI). . For an input Hamiltonian and targeted symmetry sector, the library performs successive DMRG sweeps according to a user-defined convergence scheme. As output, the library returns the minimal encountered energy as well as the second order reduced density matrix (2-RDM) of the active space. With the latter, various molecular properties can be calculated, as well as the gradient and Hessian for orbital rotations or nuclear displacements. In addition, several correlation functions can be obtained to investigate the electronic structure in the active space. . This package installs the C++ headers, static library, and symlink for libchemps2. drwxr-xr-x root/root 0 2015-09-09 11:49 ./ drwxr-xr-x root/root 0 2015-09-09 11:49 ./usr/ drwxr-xr-x root/root 0 2015-09-09 11:49 ./usr/include/ drwxr-xr-x root/root 0 2015-09-09 11:49 ./usr/include/chemps2/ -rw-r--r-- root/root 25662 2015-08-26 22:55 ./usr/include/chemps2/CASSCF.h -rw-r--r-- root/root 4281 2015-08-26 22:55 ./usr/include/chemps2/ConvergenceScheme.h -rw-r--r-- root/root 14787 2015-08-26 22:55 ./usr/include/chemps2/Correlations.h -rw-r--r-- root/root 4535 2015-08-26 22:55 ./usr/include/chemps2/DIIS.h -rw-r--r-- root/root 11487 2015-08-26 22:55 ./usr/include/chemps2/DMRG.h -rw-r--r-- root/root 6463 2015-08-26 22:55 ./usr/include/chemps2/DMRGSCFVmatRotations.h -rw-r--r-- root/root 6028 2015-08-26 22:55 ./usr/include/chemps2/DMRGSCFindices.h -rw-r--r-- root/root 10507 2015-08-26 22:55 ./usr/include/chemps2/DMRGSCFintegrals.h -rw-r--r-- root/root 2708 2015-08-26 22:55 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root/root 0 2015-09-09 11:49 ./usr/share/doc/libchemps2-dev/CHANGELOG.md.gz -> changelog.gz -rw-r--r-- root/root 591 2015-09-09 11:43 ./usr/share/doc/libchemps2-dev/changelog.Debian.gz -rw-r--r-- root/root 555 2015-08-26 22:55 ./usr/share/doc/libchemps2-dev/changelog.gz -rw-r--r-- root/root 1292 2015-09-03 11:31 ./usr/share/doc/libchemps2-dev/copyright chemps2-doc_1.6-1~ubuntu15.04.1~ppa1_all.deb ──────────────────────────────────────────── new debian package, version 2.0. size 103226 bytes: control archive=2561 bytes. 1236 bytes, 27 lines control 4317 bytes, 52 lines md5sums Package: chemps2-doc Source: chemps2 Version: 1.6-1~ubuntu15.04.1~ppa1 Architecture: all Maintainer: Debichem Team Installed-Size: 429 Section: doc Priority: optional Homepage: http://sebwouters.github.io/CheMPS2/index.html Description: Documentation of the libchemps2-1 package chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI). . For an input Hamiltonian and targeted symmetry sector, the library performs successive DMRG sweeps according to a user-defined convergence scheme. As output, the library returns the minimal encountered energy as well as the second order reduced density matrix (2-RDM) of the active space. With the latter, various molecular properties can be calculated, as well as the gradient and Hessian for orbital rotations or nuclear displacements. In addition, several correlation functions can be obtained to investigate the electronic structure in the active space. . This is the common documentation package. drwxr-xr-x root/root 0 2015-09-09 11:49 ./ drwxr-xr-x root/root 0 2015-09-09 11:49 ./usr/ drwxr-xr-x root/root 0 2015-09-09 11:49 ./usr/share/ drwxr-xr-x root/root 0 2015-09-09 11:49 ./usr/share/doc-base/ -rw-r--r-- root/root 282 2015-09-03 11:31 ./usr/share/doc-base/libchemps2-doc drwxr-xr-x root/root 0 2015-09-09 11:49 ./usr/share/doc/ drwxr-xr-x root/root 0 2015-09-09 11:49 ./usr/share/doc/chemps2-doc/ lrwxrwxrwx root/root 0 2015-09-09 11:49 ./usr/share/doc/chemps2-doc/CHANGELOG.md.gz -> changelog.gz -rw-r--r-- root/root 591 2015-09-09 11:43 ./usr/share/doc/chemps2-doc/changelog.Debian.gz -rw-r--r-- root/root 555 2015-08-26 22:55 ./usr/share/doc/chemps2-doc/changelog.gz -rw-r--r-- root/root 1292 2015-09-03 11:31 ./usr/share/doc/chemps2-doc/copyright drwxr-xr-x root/root 0 2015-09-09 11:49 ./usr/share/doc/libchemps2/ drwxr-xr-x root/root 0 2015-09-09 11:49 ./usr/share/doc/libchemps2/html/ drwxr-xr-x root/root 0 2015-09-09 11:49 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chemps2_1.6-1~ubuntu15.04.1~ppa1_amd64.deb ────────────────────────────────────────── new debian package, version 2.0. size 12366 bytes: control archive=1217 bytes. 1508 bytes, 30 lines control 261 bytes, 4 lines md5sums Package: chemps2 Version: 1.6-1~ubuntu15.04.1~ppa1 Architecture: amd64 Maintainer: Debichem Team Installed-Size: 57 Depends: libc6 (>= 2.4), libchemps2-1 (= 1.6-1~ubuntu15.04.1~ppa1), libgcc1 (>= 1:4.1.1), libstdc++6 (>= 4.9) Suggests: chemps2-doc Section: science Priority: optional Homepage: http://sebwouters.github.io/CheMPS2/index.html Description: Executable to call libchemps2-1 from the command line chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI). . For an input Hamiltonian and targeted symmetry sector, the library performs successive DMRG sweeps according to a user-defined convergence scheme. As output, the library returns the minimal encountered energy as well as the second order reduced density matrix (2-RDM) of the active space. With the latter, various molecular properties can be calculated, as well as the gradient and Hessian for orbital rotations or nuclear displacements. In addition, several correlation functions can be obtained to investigate the electronic structure in the active space. . This package installs the executable which parses Hamiltonians in fcidump format, performs DMRG sweeps according to a user-defined convergence scheme, and writes the 2-RDM as output. drwxr-xr-x root/root 0 2015-09-09 11:49 ./ drwxr-xr-x root/root 0 2015-09-09 11:49 ./usr/ drwxr-xr-x root/root 0 2015-09-09 11:49 ./usr/bin/ -rwxr-xr-x root/root 27176 2015-09-09 11:49 ./usr/bin/chemps2 drwxr-xr-x root/root 0 2015-09-09 11:49 ./usr/share/ drwxr-xr-x root/root 0 2015-09-09 11:49 ./usr/share/doc/ drwxr-xr-x root/root 0 2015-09-09 11:49 ./usr/share/doc/chemps2/ lrwxrwxrwx root/root 0 2015-09-09 11:49 ./usr/share/doc/chemps2/CHANGELOG.md.gz -> changelog.gz -rw-r--r-- root/root 591 2015-09-09 11:43 ./usr/share/doc/chemps2/changelog.Debian.gz -rw-r--r-- root/root 555 2015-08-26 22:55 ./usr/share/doc/chemps2/changelog.gz -rw-r--r-- root/root 1292 2015-09-03 11:31 ./usr/share/doc/chemps2/copyright python-chemps2_1.6-1~ubuntu15.04.1~ppa1_amd64.deb ───────────────────────────────────────────────── new debian package, version 2.0. size 66716 bytes: control archive=1623 bytes. 1485 bytes, 29 lines control 600 bytes, 7 lines md5sums 162 bytes, 9 lines * postinst #!/bin/sh 263 bytes, 14 lines * prerm #!/bin/sh Package: python-chemps2 Source: chemps2 Version: 1.6-1~ubuntu15.04.1~ppa1 Architecture: amd64 Maintainer: Debichem Team Installed-Size: 269 Depends: python-numpy (>= 1:1.8.0), python-numpy-abi9, python (<< 2.8), python (>= 2.7~), python:any (>= 2.7.5-5~), libc6 (>= 2.4), libchemps2-1 (= 1.6-1~ubuntu15.04.1~ppa1), libgcc1 (>= 1:4.1.1), libstdc++6 (>= 4.1.1) Suggests: chemps2-doc Section: python Priority: optional Homepage: http://sebwouters.github.io/CheMPS2/index.html Description: Python 2 interface for libchemps2-1 chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI). . For an input Hamiltonian and targeted symmetry sector, the library performs successive DMRG sweeps according to a user-defined convergence scheme. As output, the library returns the minimal encountered energy as well as the second order reduced density matrix (2-RDM) of the active space. With the latter, various molecular properties can be calculated, as well as the gradient and Hessian for orbital rotations or nuclear displacements. In addition, several correlation functions can be obtained to investigate the electronic structure in the active space. . This package installs the library for Python 2. drwxr-xr-x root/root 0 2015-09-09 11:49 ./ drwxr-xr-x root/root 0 2015-09-09 11:49 ./usr/ drwxr-xr-x root/root 0 2015-09-09 11:49 ./usr/lib/ drwxr-xr-x root/root 0 2015-09-09 11:49 ./usr/lib/python2.7/ drwxr-xr-x root/root 0 2015-09-09 11:49 ./usr/lib/python2.7/dist-packages/ -rw-r--r-- root/root 793 2015-09-09 11:49 ./usr/lib/python2.7/dist-packages/CheMPS2-1.6.egg-info -rw-r--r-- root/root 225968 2015-09-09 11:49 ./usr/lib/python2.7/dist-packages/PyCheMPS2.x86_64-linux-gnu.so -rw-r--r-- root/root 4357 2015-08-26 22:55 ./usr/lib/python2.7/dist-packages/ReadinHamiltonianFCIDUMP.py -rw-r--r-- root/root 4425 2015-08-26 22:55 ./usr/lib/python2.7/dist-packages/ReadinHamiltonianPsi4.py drwxr-xr-x root/root 0 2015-09-09 11:49 ./usr/share/ drwxr-xr-x root/root 0 2015-09-09 11:49 ./usr/share/doc/ drwxr-xr-x root/root 0 2015-09-09 11:49 ./usr/share/doc/python-chemps2/ lrwxrwxrwx root/root 0 2015-09-09 11:49 ./usr/share/doc/python-chemps2/CHANGELOG.md.gz -> changelog.gz -rw-r--r-- root/root 591 2015-09-09 11:43 ./usr/share/doc/python-chemps2/changelog.Debian.gz -rw-r--r-- root/root 555 2015-08-26 22:55 ./usr/share/doc/python-chemps2/changelog.gz -rw-r--r-- root/root 1292 2015-09-03 11:31 ./usr/share/doc/python-chemps2/copyright ┌──────────────────────────────────────────────────────────────────────────────┐ │ Post Build │ └──────────────────────────────────────────────────────────────────────────────┘ ┌──────────────────────────────────────────────────────────────────────────────┐ │ Cleanup │ └──────────────────────────────────────────────────────────────────────────────┘ Not removing build depends: as requested Keeping session: ┌──────────────────────────────────────────────────────────────────────────────┐ │ Summary │ └──────────────────────────────────────────────────────────────────────────────┘ Build Architecture: amd64 Build-Space: 51900 Build-Time: 131 Distribution: vivid Host Architecture: amd64 Install-Time: 56 Job: chemps2_1.6-1~ubuntu15.04.1~ppa1.dsc Machine Architecture: amd64 Package: chemps2 Package-Time: 189 Source-Version: 1.6-1~ubuntu15.04.1~ppa1 Space: 51900 Status: successful Version: 1.6-1~ubuntu15.04.1~ppa1 ──────────────────────────────────────────────────────────────────────────────── Finished at 20150909-1150 Build needed 00:03:09, 51900k disc space RUN: /usr/share/launchpad-buildd/slavebin/scan-for-processes ['scan-for-processes', 'PACKAGEBUILD-7889858'] Scanning for processes to kill in build /home/buildd/build-PACKAGEBUILD-7889858/chroot-autobuild... RUN: /usr/share/launchpad-buildd/slavebin/umount-chroot ['umount-chroot', 'PACKAGEBUILD-7889858'] Unmounting chroot for build PACKAGEBUILD-7889858... RUN: /usr/share/launchpad-buildd/slavebin/remove-build ['remove-build', 'PACKAGEBUILD-7889858'] Removing build PACKAGEBUILD-7889858