Diff of the two buildlogs: -- --- b1/build.log 2021-12-10 14:48:25.992685452 +0000 +++ b2/build.log 2021-12-10 14:59:52.359313115 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Thu Jan 12 09:03:24 -12 2023 -I: pbuilder-time-stamp: 1673557404 +I: Current time: Sat Dec 11 04:48:28 +14 2021 +I: pbuilder-time-stamp: 1639147708 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/buster-reproducible-base.tgz] I: copying local configuration @@ -17,7 +17,7 @@ I: Extracting source gpgv: unknown type of key resource 'trustedkeys.kbx' gpgv: keyblock resource '/root/.gnupg/trustedkeys.kbx': General error -gpgv: Signature made Fri Jan 18 20:35:10 2019 -12 +gpgv: Signature made Sat Jan 19 22:35:10 2019 +14 gpgv: using RSA key 25E3FF2D7F469DBE7D0D4E50AFCFEC8E669CE1C2 gpgv: Can't check signature: No public key dpkg-source: warning: failed to verify signature on ./python-ase_3.17.0-2.dsc @@ -29,136 +29,170 @@ dpkg-source: info: applying big-endian.patch I: using fakeroot in build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/2792375/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/427507/tmp/hooks/D01_modify_environment starting +debug: Running on ionos11-amd64. +I: Changing host+domainname to test build reproducibility +I: Adding a custom variable just for the fun of it... +I: Changing /bin/sh to bash +Removing 'diversion of /bin/sh to /bin/sh.distrib by dash' +Adding 'diversion of /bin/sh to /bin/sh.distrib by bash' +Removing 'diversion of /usr/share/man/man1/sh.1.gz to /usr/share/man/man1/sh.distrib.1.gz by dash' +Adding 'diversion of /usr/share/man/man1/sh.1.gz to /usr/share/man/man1/sh.distrib.1.gz by bash' +I: Setting pbuilder2's login shell to /bin/bash +I: Setting pbuilder2's GECOS to second user,second room,second work-phone,second home-phone,second other +I: user script /srv/workspace/pbuilder/427507/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/427507/tmp/hooks/D02_print_environment starting I: set - BUILDDIR='/build' - BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' - BUILDUSERNAME='pbuilder1' - BUILD_ARCH='amd64' - DEBIAN_FRONTEND='noninteractive' - DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=16' - DISTRIBUTION='' - HOME='/root' - HOST_ARCH='amd64' + BASH=/bin/sh + BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:hostcomplete:interactive_comments:progcomp:promptvars:sourcepath + BASH_ALIASES=() + BASH_ARGC=() + BASH_ARGV=() + BASH_CMDS=() + BASH_LINENO=([0]="12" [1]="0") + BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") + BASH_VERSINFO=([0]="5" [1]="0" [2]="3" [3]="1" [4]="release" [5]="x86_64-pc-linux-gnu") + BASH_VERSION='5.0.3(1)-release' + BUILDDIR=/build + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=amd64 + DEBIAN_FRONTEND=noninteractive + DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=15' + DIRSTACK=() + DISTRIBUTION= + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=x86_64 + HOST_ARCH=amd64 IFS=' ' - INVOCATION_ID='7b6414b74aee49b5be09c6f00deda832' - LANG='C' - LANGUAGE='en_US:en' - LC_ALL='C' - MAIL='/var/mail/root' - OPTIND='1' - PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' - PBCURRENTCOMMANDLINEOPERATION='build' - PBUILDER_OPERATION='build' - PBUILDER_PKGDATADIR='/usr/share/pbuilder' - PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' - PBUILDER_SYSCONFDIR='/etc' - PPID='2792375' - PS1='# ' - PS2='> ' + INVOCATION_ID=b9b49c4779654ace9ee44f5a3a8dbf96 + LANG=C + LANGUAGE=et_EE:et + LC_ALL=C + MACHTYPE=x86_64-pc-linux-gnu + MAIL=/var/mail/root + OPTERR=1 + OPTIND=1 + OSTYPE=linux-gnu + PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path + PBCURRENTCOMMANDLINEOPERATION=build + PBUILDER_OPERATION=build + PBUILDER_PKGDATADIR=/usr/share/pbuilder + PBUILDER_PKGLIBDIR=/usr/lib/pbuilder + PBUILDER_SYSCONFDIR=/etc + PIPESTATUS=([0]="0") + POSIXLY_CORRECT=y + PPID=427507 PS4='+ ' - PWD='/' - SHELL='/bin/bash' - SHLVL='2' - SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/tmp.1eE75N1NbN/pbuilderrc_nVQJ --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/buster-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/tmp.1eE75N1NbN/b1 --logfile b1/build.log python-ase_3.17.0-2.dsc' - SUDO_GID='110' - SUDO_UID='105' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://85.184.249.68:3128' + PWD=/ + SHELL=/bin/bash + SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix + SHLVL=3 + SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/tmp.1eE75N1NbN/pbuilderrc_UoZO --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/buster-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/tmp.1eE75N1NbN/b2 --logfile b2/build.log python-ase_3.17.0-2.dsc' + SUDO_GID=111 + SUDO_UID=106 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://78.137.99.97:3128 I: uname -a - Linux ionos5-amd64 5.14.0-0.bpo.2-amd64 #1 SMP Debian 5.14.9-2~bpo11+1 (2021-10-10) x86_64 GNU/Linux + Linux i-capture-the-hostname 5.10.0-9-amd64 #1 SMP Debian 5.10.70-1 (2021-09-30) x86_64 GNU/Linux I: ls -l /bin total 5116 - -rwxr-xr-x 1 root root 1168776 Apr 17 2019 bash - -rwxr-xr-x 3 root root 38984 Jul 10 2019 bunzip2 - -rwxr-xr-x 3 root root 38984 Jul 10 2019 bzcat - lrwxrwxrwx 1 root root 6 Jul 10 2019 bzcmp -> bzdiff - -rwxr-xr-x 1 root root 2227 Jul 10 2019 bzdiff - lrwxrwxrwx 1 root root 6 Jul 10 2019 bzegrep -> bzgrep - -rwxr-xr-x 1 root root 4877 Jun 24 2019 bzexe - lrwxrwxrwx 1 root root 6 Jul 10 2019 bzfgrep -> bzgrep - -rwxr-xr-x 1 root root 3641 Jul 10 2019 bzgrep - -rwxr-xr-x 3 root root 38984 Jul 10 2019 bzip2 - -rwxr-xr-x 1 root root 14328 Jul 10 2019 bzip2recover - lrwxrwxrwx 1 root root 6 Jul 10 2019 bzless -> bzmore - -rwxr-xr-x 1 root root 1297 Jul 10 2019 bzmore - -rwxr-xr-x 1 root root 43744 Feb 28 2019 cat - -rwxr-xr-x 1 root root 64320 Feb 28 2019 chgrp - -rwxr-xr-x 1 root root 64288 Feb 28 2019 chmod - -rwxr-xr-x 1 root root 72512 Feb 28 2019 chown - -rwxr-xr-x 1 root root 146880 Feb 28 2019 cp - -rwxr-xr-x 1 root root 121464 Jan 17 2019 dash - -rwxr-xr-x 1 root root 109408 Feb 28 2019 date - -rwxr-xr-x 1 root root 76712 Feb 28 2019 dd - -rwxr-xr-x 1 root root 93744 Feb 28 2019 df - -rwxr-xr-x 1 root root 138856 Feb 28 2019 dir - -rwxr-xr-x 1 root root 84288 Jan 9 2019 dmesg - lrwxrwxrwx 1 root root 8 Sep 26 2018 dnsdomainname -> hostname - lrwxrwxrwx 1 root root 8 Sep 26 2018 domainname -> hostname - -rwxr-xr-x 1 root root 39520 Feb 28 2019 echo - -rwxr-xr-x 1 root root 28 Jan 7 2019 egrep - -rwxr-xr-x 1 root root 35424 Feb 28 2019 false - -rwxr-xr-x 1 root root 28 Jan 7 2019 fgrep - -rwxr-xr-x 1 root root 68880 Jan 9 2019 findmnt - -rwsr-xr-x 1 root root 34896 Apr 22 2020 fusermount - -rwxr-xr-x 1 root root 198976 Jan 7 2019 grep - -rwxr-xr-x 2 root root 2345 Jan 5 2019 gunzip - -rwxr-xr-x 1 root root 6375 Jan 5 2019 gzexe - -rwxr-xr-x 1 root root 98048 Jan 5 2019 gzip - -rwxr-xr-x 1 root root 26696 Sep 26 2018 hostname - -rwxr-xr-x 1 root root 68552 Feb 28 2019 ln - -rwxr-xr-x 1 root root 56760 Jul 26 2018 login - -rwxr-xr-x 1 root root 138856 Feb 28 2019 ls - -rwxr-xr-x 1 root root 108624 Jan 9 2019 lsblk - -rwxr-xr-x 1 root root 89088 Feb 28 2019 mkdir - -rwxr-xr-x 1 root root 68544 Feb 28 2019 mknod - -rwxr-xr-x 1 root root 43808 Feb 28 2019 mktemp - -rwxr-xr-x 1 root root 43008 Jan 9 2019 more - -rwsr-xr-x 1 root root 51280 Jan 9 2019 mount - -rwxr-xr-x 1 root root 14408 Jan 9 2019 mountpoint - -rwxr-xr-x 1 root root 138728 Feb 28 2019 mv - lrwxrwxrwx 1 root root 8 Sep 26 2018 nisdomainname -> hostname - lrwxrwxrwx 1 root root 14 Feb 14 2019 pidof -> /sbin/killall5 - -rwxr-xr-x 1 root root 39616 Feb 28 2019 pwd - lrwxrwxrwx 1 root root 4 Apr 17 2019 rbash -> bash - -rwxr-xr-x 1 root root 47776 Feb 28 2019 readlink - -rwxr-xr-x 1 root root 68416 Feb 28 2019 rm - -rwxr-xr-x 1 root root 47776 Feb 28 2019 rmdir - -rwxr-xr-x 1 root root 23312 Jan 21 2019 run-parts - -rwxr-xr-x 1 root root 122224 Dec 22 2018 sed - lrwxrwxrwx 1 root root 4 Dec 10 16:21 sh -> dash - -rwxr-xr-x 1 root root 39552 Feb 28 2019 sleep - -rwxr-xr-x 1 root root 80672 Feb 28 2019 stty - -rwsr-xr-x 1 root root 63568 Jan 9 2019 su - -rwxr-xr-x 1 root root 35488 Feb 28 2019 sync - -rwxr-xr-x 1 root root 445560 Apr 23 2019 tar - -rwxr-xr-x 1 root root 14440 Jan 21 2019 tempfile - -rwxr-xr-x 1 root root 97152 Feb 28 2019 touch - -rwxr-xr-x 1 root root 35424 Feb 28 2019 true - -rwxr-xr-x 1 root root 14328 Apr 22 2020 ulockmgr_server - -rwsr-xr-x 1 root root 34888 Jan 9 2019 umount - -rwxr-xr-x 1 root root 39584 Feb 28 2019 uname - -rwxr-xr-x 2 root root 2345 Jan 5 2019 uncompress - -rwxr-xr-x 1 root root 138856 Feb 28 2019 vdir - -rwxr-xr-x 1 root root 34896 Jan 9 2019 wdctl - -rwxr-xr-x 1 root root 946 Jan 21 2019 which - lrwxrwxrwx 1 root root 8 Sep 26 2018 ypdomainname -> hostname - -rwxr-xr-x 1 root root 1983 Jan 5 2019 zcat - -rwxr-xr-x 1 root root 1677 Jan 5 2019 zcmp - -rwxr-xr-x 1 root root 5879 Jan 5 2019 zdiff - -rwxr-xr-x 1 root root 29 Jan 5 2019 zegrep - -rwxr-xr-x 1 root root 29 Jan 5 2019 zfgrep - -rwxr-xr-x 1 root root 2080 Jan 5 2019 zforce - -rwxr-xr-x 1 root root 7584 Jan 5 2019 zgrep - -rwxr-xr-x 1 root root 2205 Jan 5 2019 zless - -rwxr-xr-x 1 root root 1841 Jan 5 2019 zmore - -rwxr-xr-x 1 root root 4552 Jan 5 2019 znew -I: user script /srv/workspace/pbuilder/2792375/tmp/hooks/D02_print_environment finished + -rwxr-xr-x 1 root root 1168776 Apr 18 2019 bash + -rwxr-xr-x 3 root root 38984 Jul 11 2019 bunzip2 + -rwxr-xr-x 3 root root 38984 Jul 11 2019 bzcat + lrwxrwxrwx 1 root root 6 Jul 11 2019 bzcmp -> bzdiff + -rwxr-xr-x 1 root root 2227 Jul 11 2019 bzdiff + lrwxrwxrwx 1 root root 6 Jul 11 2019 bzegrep -> bzgrep + -rwxr-xr-x 1 root root 4877 Jun 25 2019 bzexe + lrwxrwxrwx 1 root root 6 Jul 11 2019 bzfgrep -> bzgrep + -rwxr-xr-x 1 root root 3641 Jul 11 2019 bzgrep + -rwxr-xr-x 3 root root 38984 Jul 11 2019 bzip2 + -rwxr-xr-x 1 root root 14328 Jul 11 2019 bzip2recover + lrwxrwxrwx 1 root root 6 Jul 11 2019 bzless -> bzmore + -rwxr-xr-x 1 root root 1297 Jul 11 2019 bzmore + -rwxr-xr-x 1 root root 43744 Mar 1 2019 cat + -rwxr-xr-x 1 root root 64320 Mar 1 2019 chgrp + -rwxr-xr-x 1 root root 64288 Mar 1 2019 chmod + -rwxr-xr-x 1 root root 72512 Mar 1 2019 chown + -rwxr-xr-x 1 root root 146880 Mar 1 2019 cp + -rwxr-xr-x 1 root root 121464 Jan 18 2019 dash + -rwxr-xr-x 1 root root 109408 Mar 1 2019 date + -rwxr-xr-x 1 root root 76712 Mar 1 2019 dd + -rwxr-xr-x 1 root root 93744 Mar 1 2019 df + -rwxr-xr-x 1 root root 138856 Mar 1 2019 dir + -rwxr-xr-x 1 root root 84288 Jan 10 2019 dmesg + lrwxrwxrwx 1 root root 8 Sep 27 2018 dnsdomainname -> hostname + lrwxrwxrwx 1 root root 8 Sep 27 2018 domainname -> hostname + -rwxr-xr-x 1 root root 39520 Mar 1 2019 echo + -rwxr-xr-x 1 root root 28 Jan 8 2019 egrep + -rwxr-xr-x 1 root root 35424 Mar 1 2019 false + -rwxr-xr-x 1 root root 28 Jan 8 2019 fgrep + -rwxr-xr-x 1 root root 68880 Jan 10 2019 findmnt + -rwsr-xr-x 1 root root 34896 Apr 23 2020 fusermount + -rwxr-xr-x 1 root root 198976 Jan 8 2019 grep + -rwxr-xr-x 2 root root 2345 Jan 6 2019 gunzip + -rwxr-xr-x 1 root root 6375 Jan 6 2019 gzexe + -rwxr-xr-x 1 root root 98048 Jan 6 2019 gzip + -rwxr-xr-x 1 root root 26696 Sep 27 2018 hostname + -rwxr-xr-x 1 root root 68552 Mar 1 2019 ln + -rwxr-xr-x 1 root root 56760 Jul 27 2018 login + -rwxr-xr-x 1 root root 138856 Mar 1 2019 ls + -rwxr-xr-x 1 root root 108624 Jan 10 2019 lsblk + -rwxr-xr-x 1 root root 89088 Mar 1 2019 mkdir + -rwxr-xr-x 1 root root 68544 Mar 1 2019 mknod + -rwxr-xr-x 1 root root 43808 Mar 1 2019 mktemp + -rwxr-xr-x 1 root root 43008 Jan 10 2019 more + -rwsr-xr-x 1 root root 51280 Jan 10 2019 mount + -rwxr-xr-x 1 root root 14408 Jan 10 2019 mountpoint + -rwxr-xr-x 1 root root 138728 Mar 1 2019 mv + lrwxrwxrwx 1 root root 8 Sep 27 2018 nisdomainname -> hostname + lrwxrwxrwx 1 root root 14 Feb 15 2019 pidof -> /sbin/killall5 + -rwxr-xr-x 1 root root 39616 Mar 1 2019 pwd + lrwxrwxrwx 1 root root 4 Apr 18 2019 rbash -> bash + -rwxr-xr-x 1 root root 47776 Mar 1 2019 readlink + -rwxr-xr-x 1 root root 68416 Mar 1 2019 rm + -rwxr-xr-x 1 root root 47776 Mar 1 2019 rmdir + -rwxr-xr-x 1 root root 23312 Jan 22 2019 run-parts + -rwxr-xr-x 1 root root 122224 Dec 23 2018 sed + lrwxrwxrwx 1 root root 4 Dec 11 04:48 sh -> bash + lrwxrwxrwx 1 root root 4 Nov 8 11:58 sh.distrib -> dash + -rwxr-xr-x 1 root root 39552 Mar 1 2019 sleep + -rwxr-xr-x 1 root root 80672 Mar 1 2019 stty + -rwsr-xr-x 1 root root 63568 Jan 10 2019 su + -rwxr-xr-x 1 root root 35488 Mar 1 2019 sync + -rwxr-xr-x 1 root root 445560 Apr 24 2019 tar + -rwxr-xr-x 1 root root 14440 Jan 22 2019 tempfile + -rwxr-xr-x 1 root root 97152 Mar 1 2019 touch + -rwxr-xr-x 1 root root 35424 Mar 1 2019 true + -rwxr-xr-x 1 root root 14328 Apr 23 2020 ulockmgr_server + -rwsr-xr-x 1 root root 34888 Jan 10 2019 umount + -rwxr-xr-x 1 root root 39584 Mar 1 2019 uname + -rwxr-xr-x 2 root root 2345 Jan 6 2019 uncompress + -rwxr-xr-x 1 root root 138856 Mar 1 2019 vdir + -rwxr-xr-x 1 root root 34896 Jan 10 2019 wdctl + -rwxr-xr-x 1 root root 946 Jan 22 2019 which + lrwxrwxrwx 1 root root 8 Sep 27 2018 ypdomainname -> hostname + -rwxr-xr-x 1 root root 1983 Jan 6 2019 zcat + -rwxr-xr-x 1 root root 1677 Jan 6 2019 zcmp + -rwxr-xr-x 1 root root 5879 Jan 6 2019 zdiff + -rwxr-xr-x 1 root root 29 Jan 6 2019 zegrep + -rwxr-xr-x 1 root root 29 Jan 6 2019 zfgrep + -rwxr-xr-x 1 root root 2080 Jan 6 2019 zforce + -rwxr-xr-x 1 root root 7584 Jan 6 2019 zgrep + -rwxr-xr-x 1 root root 2205 Jan 6 2019 zless + -rwxr-xr-x 1 root root 1841 Jan 6 2019 zmore + -rwxr-xr-x 1 root root 4552 Jan 6 2019 znew +I: user script /srv/workspace/pbuilder/427507/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -378,7 +412,7 @@ Get: 154 http://deb.debian.org/debian buster/main amd64 python3-sphinx all 1.8.4-1 [481 kB] Get: 155 http://deb.debian.org/debian buster/main amd64 sphinx-rtd-theme-common all 0.4.3+dfsg-1 [1021 kB] Get: 156 http://deb.debian.org/debian buster/main amd64 python3-sphinx-rtd-theme all 0.4.3+dfsg-1 [9696 B] -Fetched 90.3 MB in 1s (79.2 MB/s) +Fetched 90.3 MB in 9s (10.4 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libbsd0: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 ... 19195 files and directories currently installed.) @@ -1061,7 +1095,8 @@ fakeroot is already the newest version (1.23-1). 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. I: Building the package -I: Running cd /build/python-ase-3.17.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../python-ase_3.17.0-2_source.changes +hostname: Name or service not known +I: Running cd /build/python-ase-3.17.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../python-ase_3.17.0-2_source.changes dpkg-buildpackage: info: source package python-ase dpkg-buildpackage: info: source version 3.17.0-2 dpkg-buildpackage: info: source distribution unstable @@ -2861,120 +2896,121 @@ LC_ALL=C.UTF-8 \ dh_auto_test I: pybuild base:217: cd ase/test; python2.7 -m ase test -platform Linux-5.14.0-0.bpo.2-amd64-x86_64-with-debian-10.11 +platform Linux-5.10.0-9-amd64-x86_64-with-debian-10.11 python-2.7.16 /usr/bin/python2.7 ase-3.17.0 /build/python-ase-3.17.0/.pybuild/cpython2_2.7_ase/build/ase/ numpy-1.16.2 /usr/lib/python2.7/dist-packages/numpy/ scipy-1.1.0 /usr/lib/python2.7/dist-packages/scipy/ -test directory /tmp/ase-test-Fh8WeV -number of processes 16 -time Thu Jan 12 09:04:22 2023 +test directory /tmp/ase-test-5jzhtS +number of processes 15 +time Sat Dec 11 04:49:30 2021 -atom.py 0.01s OK +atom.py 0.00s OK atoms.py 0.00s OK -atoms_get_duplicates.py 0.00s OK -bandstructure.py 0.00s SKIPPED: no matplotlib module +atoms_formula.py 0.00s OK +atoms_distance.py 0.00s OK atoms_angle.py 0.01s OK +bandstructure.py 0.00s SKIPPED: no matplotlib module +atoms_get_duplicates.py 0.00s OK build.py 0.01s OK -cutoffs_test.py 0.00s OK -com.py 0.01s OK -dimer.py 0.02s OK -doctests.py 0.72s OK -center_nonperiodic.py 0.02s OK -dimer_method.py 0.36s OK -emt1.py 0.05s OK -emt2.py 0.04s OK -external_force.py 0.20s OK -get_angles.py 0.01s OK -h2.py 0.01s OK -center.py 0.04s OK -dependency_matplotlib.py 0.01s OK -distance.py 0.49s OK -bandgap.py 0.01s OK -bulk.py 0.00s OK -cell_conv.py 0.08s OK +center.py 0.02s OK +dimer.py 0.01s OK +distmom.py 0.10s OK +checkpoint.py 0.09s OK eam_pot.py 0.00s OK -eam_pot_test.py 0.35s OK -eos.py 0.31s OK -atoms_distance.py 0.00s OK -atoms_formula.py 0.00s OK -atoms_info_copy.py 0.00s OK +eam_pot_test.py 0.16s OK bader.py 0.05s OK -distmom.py 0.10s OK -eam_test.py 0.31s OK -emt_h3o2m.py 0.12s OK +atoms_info_copy.py 0.00s OK +bandgap.py 0.01s OK +center_nonperiodic.py 0.01s OK +com.py 0.00s OK +cutoffs_test.py 0.00s OK +dependency_matplotlib.py 0.00s OK +bulk.py 0.00s OK +cell_conv.py 0.03s OK +doctests.py 1.15s OK +eam_test.py 0.32s OK +eos.py 0.16s OK formula.py 0.00s OK franck_condon.py 0.02s OK -ag.py 0.56s OK -checkpoint.py 0.18s OK -emt.py 0.27s OK -example.py 0.03s OK +dimer_method.py 0.39s OK +emt_h3o2m.py 0.09s OK filter.py 0.04s OK -fix_bond_length_mic.py 0.16s OK -Ag-Cu100.py 1.52s OK -issue276.py 0.05s OK +fix_bond_length_mic.py 0.17s OK +get_angles.py 0.01s OK +h2.py 0.01s OK +Ag-Cu100.py 0.79s OK +distance.py 0.48s OK +ag.py 0.35s OK +emt1.py 0.07s OK +emt2.py 0.06s OK +example.py 0.03s OK +external_force.py 0.41s OK +emt.py 0.30s OK +idpp.py 0.27s OK +hookean.py 1.05s OK +issue276.py 0.06s OK kpts.py 0.00s OK -idpp.py 0.51s OK -geometry.py 1.11s OK +hcp.py 1.62s OK lattice_lindep.py 0.02s OK -hookean.py 1.12s OK +linesearch_maxstep.py 0.15s OK matplotlib_plot.py 0.00s SKIPPED: no matplotlib module -linesearch_maxstep.py 0.19s OK -maxwellboltzmann.py 0.24s OK -mic.py 0.03s OK -md.py 0.21s OK +dihedralconstraint.py 2.90s OK +md.py 0.23s OK +mic.py 0.06s OK +geometry.py 2.72s OK n2.py 0.01s OK +CO2_Au111.py 3.45s OK +maxwellboltzmann.py 0.98s OK neb.py 0.30s OK -dihedralconstraint.py 2.48s OK -hcp.py 2.22s OK -CO2_Au111.py 3.89s OK -niggli.py 0.24s OK +neighbor.py 1.91s OK +basin.py 5.50s OK noncollinear.py 0.00s OK -neighbor.py 1.86s OK +fire.py 5.16s OK +niggli.py 0.16s OK pourbaix.py 0.00s SKIPPED: WIP -basin.py 5.29s OK -fire.py 4.99s OK -neb_tr.py 3.61s OK -minimahop.py 5.07s OK -ipi_protocol_bfgs.py 5.71s OK +neb_tr.py 2.75s OK +ipi_protocol_bfgs.py 5.83s OK +COCu111.py 8.12s OK properties.py 0.00s OK -pull.py 0.02s OK -preconsmallcell.py 2.01s OK -quaternions.py 0.43s OK -dos.py 8.31s OK -repeat_FixAtoms.py 0.08s OK -replay.py 0.16s OK +pull.py 0.01s OK +dos.py 8.75s OK +COCu111_2.py 9.09s OK +preconsmallcell.py 3.06s OK +forceqmmm.py 8.91s OK +repeat_FixAtoms.py 0.03s OK +replay.py 0.06s OK +root_test.py 0.07s OK rotate.py 0.00s OK rotate_euler.py 0.00s OK -qmmm.py 1.58s OK -root_test.py 0.09s OK -s22.py 0.06s OK +quaternions.py 0.60s OK +s22.py 0.03s OK scaled_positions.py 0.00s OK scientificpython_bug.py 0.00s SKIPPED: no Scientific module set_get_angle.py 0.00s OK set_momenta.py 0.00s OK -singlepointcalc.py 0.04s OK +singlepointcalc.py 0.01s OK spacegroup_crystal.py 0.05s OK +minimahop.py 6.52s OK strain.py 0.00s OK -strain_emt.py 0.04s OK -stm.py 0.14s OK -precon_amin.py 5.07s OK -surface.py 0.02s OK -forceqmmm.py 9.00s OK -things.py 0.00s OK +stm.py 0.05s OK +strain_emt.py 0.06s OK +surface.py 0.05s OK surface_stack.py 0.05s OK symbols.py 0.00s OK -tip4p.py 0.08s OK -tipnp.py 0.11s OK +qmmm.py 1.95s OK +things.py 0.00s OK +tip4p.py 0.07s OK +tipnp.py 0.18s OK unitcellfilter.py 0.00s OK -COCu111.py 9.96s OK -autoneb.py 10.63s OK +precon_amin.py 5.46s OK +autoneb.py 12.29s OK units.py 0.01s OK vacancy.py 0.00s OK -neighbor_kernel.py 8.08s OK -vib.py 0.04s OK +unitcellfilter2.py 3.03s OK +vib.py 0.05s OK x3d.py 0.00s SKIPPED: cannot import HTML from IPython.displacy -COCu111_2.py 11.46s OK +stress.py 4.46s OK abinit/abinit_Si.py 0.00s SKIPPED: use --calculators=abinit to enable abinit/abinit_cmdline.py 0.00s OK aims/H2O_aims.py 0.00s SKIPPED: use --calculators=aims to enable @@ -2985,15 +3021,10 @@ calculator/bandgap.py 0.00s OK calculator/h2.py 0.00s OK calculator/kd2mp.py 0.00s OK -xrdebye.py 0.51s OK -calculator/traj.py 0.08s OK +calculator/traj.py 0.05s OK constraints/fixatoms.py 0.00s OK -constraints/fixbonds.py 0.01s OK -constraints/fixcom.py 0.02s OK -db/config.py 0.00s OK -castep/castep_interface.py 0.02s SKIPPED: use --calculators=castep to enable -constraints/getindices.py 0.00s OK -constraints/hookean_pbc.py 0.01s OK +constraints/fixbonds.py 0.00s OK +constraints/fixcom.py 0.01s OK constraints/negativeindex.py 0.00s OK constraints/setpos.py 0.00s OK cp2k/cp2k_GeoOpt.py 0.00s SKIPPED: $ASE_CP2K_COMMAND not defined @@ -3007,77 +3038,83 @@ cp2k/cp2k_restart.py 0.00s SKIPPED: $ASE_CP2K_COMMAND not defined cp2k/cp2k_stress.py 0.00s SKIPPED: $ASE_CP2K_COMMAND not defined crystal/bulk.py 0.00s SKIPPED: use --calculators=crystal to enable -crystal/graphene.py 0.00s SKIPPED: use --calculators=crystal to enable crystal/molecule.py 0.00s SKIPPED: use --calculators=crystal to enable +xrdebye.py 0.83s OK +castep/castep_interface.py 0.02s SKIPPED: use --calculators=castep to enable +constraints/getindices.py 0.00s OK +constraints/hookean_pbc.py 0.01s OK +crystal/graphene.py 0.00s SKIPPED: use --calculators=crystal to enable +db/config.py 0.00s OK db/db2.py 0.15s OK db/db_web.py 0.01s SKIPPED: no flask module -db/jsondb.py 0.01s OK -db/metadata.py 0.03s OK -db/update.py 0.16s OK +db/jsondb.py 0.00s OK +db/metadata.py 0.02s OK +db/update.py 0.08s OK demon/h2o.py 0.00s SKIPPED: use --calculators=demon to enable demon/h2o_xas_xes.py 0.00s SKIPPED: use --calculators=demon to enable -dft/bandgap.py 0.01s OK -dft/hex.py 0.07s OK -dft/interpolate.py 0.01s OK -dft/monoclinic.py 0.09s OK +dft/bandgap.py 0.00s OK +dft/hex.py 0.03s OK +dft/interpolate.py 0.00s OK +structure_comparator.py 4.86s OK +dft/monoclinic.py 0.06s OK +fio/animate.py 0.00s SKIPPED: no matplotlib module +fio/cfg.py 0.01s OK dftb/h2o.py 0.00s SKIPPED: use --calculators=dftb to enable -dftb/n2ni111.py 0.01s SKIPPED: use --calculators=dftb to enable +dftb/n2ni111.py 0.00s SKIPPED: use --calculators=dftb to enable dmol/Al_dmol.py 0.00s SKIPPED: use --calculators=dmol to enable dmol/water_dmol.py 0.00s SKIPPED: use --calculators=dmol to enable elk/Al_rmt.py 0.00s SKIPPED: use --calculators=elk to enable elk/elk_cmdline.py 0.00s SKIPPED: use --calculators=elk to enable -eon/eon_masses.py 0.03s OK -eon/eon_readwrite.py 0.02s OK +eon/eon_masses.py 0.01s OK +eon/eon_readwrite.py 0.01s OK espresso/espresso.py 0.00s SKIPPED: use --calculators=espresso to enable -exciting/exciting.py 0.02s SKIPPED: use --calculators=exciting to enable -fio/abinit.py 0.05s OK -fio/animate.py 0.00s SKIPPED: no matplotlib module -fio/cfg.py 0.01s OK -unitcellfilter2.py 2.53s OK -fio/compression.py 0.03s SKIPPED: no backports.lzma module +exciting/exciting.py 0.01s SKIPPED: use --calculators=exciting to enable +fio/abinit.py 0.02s OK +fio/compression.py 0.01s SKIPPED: no backports.lzma module fio/dftb.py 0.00s OK -fio/dmol.py 0.07s OK -fio/espresso.py 0.07s OK -fio/cif.py 0.29s OK -fio/nwchem.py 0.00s SKIPPED: use --calculators=nwchem to enable -fio/oi.py 0.59s OK -fio/oldtraj.py 0.00s OK -fio/parallel.py 0.00s OK -fio/pdb_cell_io.py 0.04s OK -fio/extxyz.py 0.04s OK +fio/dmol.py 0.01s OK +fio/espresso.py 0.03s OK +fio/extxyz.py 0.02s OK fio/info.py 0.00s OK fio/jsonio.py 0.00s OK fio/magmom.py 0.00s OK fio/mustem.py 0.01s OK fio/netcdftrajectory.py 0.00s SKIPPED: no netCDF4 module -fio/nomad.py 0.01s OK +fio/nomad.py 0.00s OK +fio/nwchem.py 0.00s SKIPPED: use --calculators=nwchem to enable +fio/oi.py 0.49s OK +fio/oldtraj.py 0.00s OK +fio/parallel.py 0.00s OK +fio/pdb_cell_io.py 0.03s OK fio/pdb_extra.py 0.00s OK -fio/res.py 0.04s OK -fio/trajectory.py 0.04s OK -fio/trajectory_heterogeneous.py 0.03s OK +fio/res.py 0.02s OK +fio/traj_bytesio.py 0.11s OK +fio/trajectory.py 0.02s OK fio/turbomole.py 0.00s OK -fio/ulm.py 0.01s OK +fio/ulm.py 0.00s OK fio/v_sim.py 0.01s OK -fio/vasp_out.py 0.07s OK -fio/xsd_bond.py 0.02s OK -fio/traj_bytesio.py 0.20s OK +fio/vasp_out.py 0.05s OK fleur/fleur_cmdline.py 0.00s SKIPPED: use --calculators=fleur to enable -ga/add_candidates.py 0.06s OK -fio/xsf_spec.py 0.12s OK -stress.py 4.10s OK +preconunitcellfilter.py 7.93s OK +fio/trajectory_heterogeneous.py 0.02s OK +fio/xsd_bond.py 0.02s OK +fio/xsf_spec.py 0.14s OK +fio/cif.py 0.46s OK ga/create_database.py 0.01s OK ga/cutandsplicepairing.py 0.18s OK +ga/add_candidates.py 0.04s OK ga/element_operators.py 0.03s OK ga/mutations.py 0.10s OK -ga/particle_comparators.py 0.46s OK -ga/particle_operators.py 0.11s OK -preconunitcellfilter.py 7.79s OK +ga/particle_comparators.py 0.49s OK +ga/particle_operators.py 0.15s OK +ga/standardcomparator.py 0.01s OK +thermochemistry.py 6.69s OK gaussian/gaussian_cmdline.py 0.00s SKIPPED: use --calculators=gaussian to enable gaussian/h2of.py 0.00s SKIPPED: use --calculators=gaussian to enable gaussian/water.py 0.00s SKIPPED: use --calculators=gaussian to enable gpaw/no_spin_and_spin.py 0.00s SKIPPED: gromacs/test_gromacs.py 0.00s SKIPPED: use --calculators=gromacs to enable -gui/run.py 0.04s SKIPPED: +gui/run.py 0.03s SKIPPED: jacapo/jacapo.py 0.00s SKIPPED: no Scientific module lammpsdata/lammpsdata.py 0.01s OK lammpslib/lammpslib_interface.py 0.00s OK @@ -3093,8 +3130,7 @@ octopus/big-test.py 0.00s SKIPPED: use --calculators=octopus to enable octopus/restart-octopus.py 0.00s SKIPPED: use --calculators=octopus to enable onetep/onetep.py 0.00s SKIPPED: use --calculators=onetep to enable -ga/standardcomparator.py 0.01s OK -qbox/qbox.py 0.11s OK +qbox/qbox.py 0.09s OK qbox/qboxdata.py 0.00s OK siesta/siesta.py 0.00s SKIPPED: use --calculators=siesta to enable turbomole/turbomole_2h2o.py 0.01s SKIPPED: use --calculators=turbomole to enable @@ -3121,21 +3157,20 @@ vasp/vasp_setup.py 0.00s SKIPPED: use --calculators=vasp to enable vasp/vasp_xc.py 0.00s SKIPPED: use --calculators=vasp to enable vasp/vasp_xml.py 0.00s SKIPPED: Neither VASP_COMMAND nor VASP_SCRIPT defined -dynamic_neb.py 14.39s OK ga/database_logic.py 1.73s OK -ga/utilities.py 1.12s OK -structure_comparator.py 7.07s OK -verlet.py 6.62s OK -thermochemistry.py 8.08s OK -unitcellfilterpressure.py 8.72s OK -phonon_md_init.py 15.46s OK -db/db.py 8.13s OK -langevin.py 19.67s OK -ga/basic_example_main_run.py 8.91s OK -qmmm_tip4p.py 18.46s OK -rattle.py 27.51s OK -preconlbfgs.py 39.31s OK -c60.py 66.58s OK +dynamic_neb.py 16.81s OK +ga/utilities.py 1.25s OK +verlet.py 7.87s OK +unitcellfilterpressure.py 9.94s OK +neighbor_kernel.py 17.51s OK +langevin.py 19.68s OK +db/db.py 8.09s OK +phonon_md_init.py 18.16s OK +ga/basic_example_main_run.py 11.98s OK +qmmm_tip4p.py 20.93s OK +rattle.py 30.05s OK +preconlbfgs.py 46.04s OK +c60.py 193.94s OK ========== Summary ========== Number of tests 266 Passes: 183 @@ -3144,122 +3179,123 @@ Skipped: 83 ============================= Test suite passed! -Time elapsed: 66.7 s +Time elapsed: 194.0 s I: pybuild base:217: cd ase/test; python3.7 -m ase test -platform Linux-5.14.0-0.bpo.2-amd64-x86_64-with-debian-10.11 +platform Linux-5.10.0-9-amd64-x86_64-with-debian-10.11 python-3.7.3 /usr/bin/python3.7 ase-3.17.0 /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/ numpy-1.16.2 /usr/lib/python3/dist-packages/numpy/ scipy-1.1.0 /usr/lib/python3/dist-packages/scipy/ -test directory /tmp/ase-test-j4j75eii -number of processes 16 -time Thu Jan 12 09:05:29 2023 +test directory /tmp/ase-test-96e35ejy +number of processes 15 +time Sat Dec 11 04:52:45 2021 atom.py 0.01s OK atoms.py 0.00s OK -atoms_angle.py 0.02s OK +atoms_distance.py 0.01s OK +atoms_info_copy.py 0.00s OK +atoms_angle.py 0.01s OK atoms_get_duplicates.py 0.01s OK +build.py 0.01s OK atoms_formula.py 0.01s OK -bandgap.py 0.01s OK -bulk.py 0.00s OK -build.py 0.00s OK -cutoffs_test.py 0.01s OK -atoms_info_copy.py 0.01s OK -bandstructure.py 1.76s OK -com.py 0.02s OK -dependency_matplotlib.py 0.01s OK -center_nonperiodic.py 0.03s OK -doctests.py 0.85s OK -dimer.py 0.01s OK -center.py 0.05s OK -atoms_distance.py 0.01s OK -cell_conv.py 0.07s OK +bandstructure.py 1.46s OK +bandgap.py 0.02s OK +bulk.py 0.01s OK +center_nonperiodic.py 0.01s OK +cutoffs_test.py 0.00s OK +dependency_matplotlib.py 0.00s OK +center.py 0.02s OK +bader.py 0.05s OK +cell_conv.py 0.04s OK +doctests.py 1.11s OK +com.py 0.01s OK +dimer.py 0.03s OK +distmom.py 0.11s OK eam_pot.py 0.00s OK -checkpoint.py 0.17s OK -distmom.py 0.21s OK -bader.py 0.04s OK -eam_pot_test.py 0.21s OK -emt1.py 0.07s OK -emt2.py 0.05s OK -ag.py 0.48s OK -distance.py 0.41s OK -example.py 0.07s OK -eam_test.py 0.38s OK -Ag-Cu100.py 0.57s OK -dimer_method.py 0.65s OK -eos.py 0.18s OK +checkpoint.py 0.14s OK +eam_pot_test.py 0.18s OK +distance.py 0.44s OK +ag.py 0.60s OK +eam_test.py 0.45s OK +emt.py 0.31s OK +dimer_method.py 0.61s OK +example.py 0.03s OK +emt2.py 0.11s OK +filter.py 0.05s OK +Ag-Cu100.py 0.78s OK formula.py 0.00s OK franck_condon.py 0.02s OK -get_angles.py 0.02s OK -fix_bond_length_mic.py 0.16s OK -emt_h3o2m.py 0.13s OK -external_force.py 0.18s OK +eos.py 0.22s OK +get_angles.py 0.01s OK h2.py 0.01s OK -filter.py 0.10s OK -emt.py 0.62s OK -idpp.py 0.19s OK -issue276.py 0.04s OK +external_force.py 0.30s OK +emt1.py 0.12s OK +emt_h3o2m.py 0.12s OK +fix_bond_length_mic.py 0.20s OK +idpp.py 0.22s OK +hookean.py 0.97s OK +issue276.py 0.05s OK kpts.py 0.00s OK -hookean.py 0.95s OK +dihedralconstraint.py 2.01s OK lattice_lindep.py 0.02s OK -linesearch_maxstep.py 0.24s OK -matplotlib_plot.py 0.02s SKIPPED: no Tkinter module -geometry.py 1.52s OK -maxwellboltzmann.py 0.28s OK -mic.py 0.03s OK -dihedralconstraint.py 2.28s OK -n2.py 0.03s OK -md.py 0.31s OK -hcp.py 1.79s OK -neb.py 0.45s OK -CO2_Au111.py 4.32s OK +linesearch_maxstep.py 0.15s OK +matplotlib_plot.py 0.01s SKIPPED: no Tkinter module +geometry.py 1.98s OK +md.py 0.20s OK +mic.py 0.04s OK +hcp.py 2.41s OK +n2.py 0.01s OK +CO2_Au111.py 3.31s OK +neb.py 0.31s OK +maxwellboltzmann.py 2.28s OK +basin.py 5.14s OK niggli.py 0.23s OK noncollinear.py 0.00s OK -fire.py 4.37s OK +fire.py 4.75s OK pourbaix.py 0.00s SKIPPED: WIP -neb_tr.py 2.69s OK -basin.py 5.19s OK -neighbor.py 3.02s OK -ipi_protocol_bfgs.py 7.04s OK +neighbor.py 2.38s OK +neb_tr.py 2.95s OK +minimahop.py 3.75s OK +ipi_protocol_bfgs.py 5.90s OK properties.py 0.00s OK -pull.py 0.03s OK -preconsmallcell.py 2.86s OK -COCu111_2.py 8.26s OK -quaternions.py 0.50s OK -dos.py 8.72s OK -repeat_FixAtoms.py 0.04s OK -replay.py 0.08s OK -root_test.py 0.12s OK +pull.py 0.01s OK +COCu111_2.py 8.13s OK +dos.py 8.42s OK +qmmm.py 1.80s OK +repeat_FixAtoms.py 0.00s OK +COCu111.py 8.87s OK +replay.py 0.05s OK +preconsmallcell.py 2.77s OK rotate.py 0.00s OK rotate_euler.py 0.00s OK s22.py 0.03s OK +root_test.py 0.08s OK scaled_positions.py 0.00s OK scientificpython_bug.py 0.00s SKIPPED: no Scientific module set_get_angle.py 0.00s OK set_momenta.py 0.00s OK -singlepointcalc.py 0.02s OK -spacegroup_crystal.py 0.05s OK -stm.py 0.07s OK +singlepointcalc.py 0.01s OK +spacegroup_crystal.py 0.04s OK strain.py 0.00s OK -strain_emt.py 0.04s OK -COCu111.py 9.27s OK -forceqmmm.py 8.82s OK -surface.py 0.05s OK -surface_stack.py 0.11s OK -symbols.py 0.00s OK -minimahop.py 8.25s OK +strain_emt.py 0.03s OK +quaternions.py 0.67s OK +surface.py 0.03s OK +stm.py 0.07s OK +surface_stack.py 0.04s OK +symbols.py 0.05s OK +forceqmmm.py 8.94s OK things.py 0.00s OK -tip4p.py 0.10s OK +tip4p.py 0.11s OK +tipnp.py 0.11s OK unitcellfilter.py 0.00s OK -precon_amin.py 5.66s OK -tipnp.py 0.09s OK -qmmm.py 2.95s OK -units.py 0.02s OK -vacancy.py 0.01s OK -neighbor_kernel.py 10.00s OK -vib.py 0.04s OK +precon_amin.py 5.63s OK +autoneb.py 11.28s OK +units.py 0.01s OK +vacancy.py 0.00s OK +stress.py 3.87s OK +vib.py 0.06s OK x3d.py 0.00s SKIPPED: cannot import HTML from IPython.displacy -autoneb.py 13.11s OK +unitcellfilter2.py 3.24s OK abinit/abinit_Si.py 0.00s SKIPPED: use --calculators=abinit to enable abinit/abinit_cmdline.py 0.00s OK aims/H2O_aims.py 0.00s SKIPPED: use --calculators=aims to enable @@ -3268,10 +3304,10 @@ amber/amber.py 0.00s SKIPPED: use --calculators=amber to enable calculator/al.py 0.00s OK calculator/bandgap.py 0.00s OK -calculator/h2.py 0.02s OK +calculator/h2.py 0.00s OK calculator/kd2mp.py 0.00s OK -calculator/traj.py 0.04s OK -castep/castep_interface.py 0.02s SKIPPED: use --calculators=castep to enable +calculator/traj.py 0.01s OK +castep/castep_interface.py 0.03s SKIPPED: use --calculators=castep to enable constraints/fixatoms.py 0.00s OK constraints/fixbonds.py 0.00s OK constraints/fixcom.py 0.01s OK @@ -3293,71 +3329,71 @@ crystal/graphene.py 0.00s SKIPPED: use --calculators=crystal to enable crystal/molecule.py 0.00s SKIPPED: use --calculators=crystal to enable db/config.py 0.00s OK -xrdebye.py 0.54s OK -db/db2.py 0.06s OK -db/db_web.py 0.01s SKIPPED: no flask module +xrdebye.py 0.67s OK +db/db2.py 0.08s OK +db/db_web.py 0.02s SKIPPED: no flask module db/jsondb.py 0.00s OK -db/metadata.py 0.01s OK -db/update.py 0.06s OK +db/metadata.py 0.02s OK +db/update.py 0.08s OK demon/h2o.py 0.00s SKIPPED: use --calculators=demon to enable demon/h2o_xas_xes.py 0.00s SKIPPED: use --calculators=demon to enable dft/bandgap.py 0.00s OK dft/hex.py 0.03s OK dft/interpolate.py 0.00s OK -dft/monoclinic.py 0.04s OK +dft/monoclinic.py 0.06s OK dftb/h2o.py 0.00s SKIPPED: use --calculators=dftb to enable dftb/n2ni111.py 0.00s SKIPPED: use --calculators=dftb to enable dmol/Al_dmol.py 0.00s SKIPPED: use --calculators=dmol to enable dmol/water_dmol.py 0.00s SKIPPED: use --calculators=dmol to enable elk/Al_rmt.py 0.00s SKIPPED: use --calculators=elk to enable elk/elk_cmdline.py 0.00s SKIPPED: use --calculators=elk to enable -eon/eon_masses.py 0.01s OK +eon/eon_masses.py 0.02s OK eon/eon_readwrite.py 0.01s OK espresso/espresso.py 0.00s SKIPPED: use --calculators=espresso to enable -exciting/exciting.py 0.00s SKIPPED: use --calculators=exciting to enable -fio/abinit.py 0.02s OK -fio/animate.py 0.79s OK +exciting/exciting.py 0.01s SKIPPED: use --calculators=exciting to enable +fio/abinit.py 0.03s OK +fio/animate.py 0.78s OK fio/cfg.py 0.01s OK -unitcellfilter2.py 3.07s OK +fio/cif.py 0.43s OK fio/compression.py 0.00s OK -fio/dftb.py 0.00s OK -fio/dmol.py 0.04s OK +fio/dftb.py 0.02s OK +fio/dmol.py 0.02s OK fio/espresso.py 0.00s OK -fio/extxyz.py 0.02s OK +fio/extxyz.py 0.06s OK fio/info.py 0.00s OK fio/jsonio.py 0.00s OK fio/magmom.py 0.00s OK fio/mustem.py 0.01s OK fio/netcdftrajectory.py 0.00s SKIPPED: no netCDF4 module -fio/nomad.py 0.00s OK +fio/nomad.py 0.01s OK fio/nwchem.py 0.00s SKIPPED: use --calculators=nwchem to enable -fio/oi.py 0.30s OK +fio/oi.py 0.39s OK fio/oldtraj.py 0.00s OK fio/parallel.py 0.00s OK -fio/cif.py 0.28s OK -fio/trajectory.py 0.02s OK +fio/pdb_cell_io.py 0.06s OK +fio/pdb_extra.py 0.00s OK +fio/res.py 0.03s OK +preconunitcellfilter.py 8.07s OK +fio/traj_bytesio.py 0.15s OK fio/turbomole.py 0.00s OK +fio/trajectory.py 0.05s OK +fio/ulm.py 0.01s OK fio/v_sim.py 0.01s OK -fio/pdb_cell_io.py 0.08s OK -fio/pdb_extra.py 0.00s OK -fio/res.py 0.02s OK -fio/traj_bytesio.py 0.09s OK -fio/trajectory_heterogeneous.py 0.01s OK -fio/ulm.py 0.00s OK -fio/xsd_bond.py 0.01s OK -fio/vasp_out.py 0.05s OK +fio/trajectory_heterogeneous.py 0.11s OK fleur/fleur_cmdline.py 0.00s SKIPPED: use --calculators=fleur to enable -ga/add_candidates.py 0.04s OK -fio/xsf_spec.py 0.17s OK -ga/create_database.py 0.02s OK -ga/cutandsplicepairing.py 0.28s OK -stress.py 6.16s OK -ga/element_operators.py 0.07s OK -ga/mutations.py 0.16s OK -structure_comparator.py 6.67s OK -ga/particle_operators.py 0.09s OK +ga/add_candidates.py 0.10s OK +fio/vasp_out.py 0.07s OK +fio/xsd_bond.py 0.01s OK +fio/xsf_spec.py 0.14s OK +ga/create_database.py 0.01s OK +structure_comparator.py 6.94s OK +ga/cutandsplicepairing.py 0.19s OK +ga/element_operators.py 0.06s OK +ga/mutations.py 0.19s OK +thermochemistry.py 7.33s OK ga/standardcomparator.py 0.01s OK -ga/particle_comparators.py 0.53s OK +dynamic_neb.py 16.47s OK +ga/particle_operators.py 0.11s OK gaussian/gaussian_cmdline.py 0.00s SKIPPED: use --calculators=gaussian to enable gaussian/h2of.py 0.00s SKIPPED: use --calculators=gaussian to enable gaussian/water.py 0.00s SKIPPED: use --calculators=gaussian to enable @@ -3376,18 +3412,20 @@ nwchem/nwchem_h3o2m.py 0.00s SKIPPED: use --calculators=nwchem to enable nwchem/nwchem_spin_symmetry.py 0.00s SKIPPED: use --calculators=nwchem to enable nwchem/nwchem_strong_levelshift.py 0.00s OK -octopus/big-test.py 0.00s SKIPPED: use --calculators=octopus to enable +octopus/big-test.py 0.04s SKIPPED: use --calculators=octopus to enable octopus/restart-octopus.py 0.00s SKIPPED: use --calculators=octopus to enable onetep/onetep.py 0.00s SKIPPED: use --calculators=onetep to enable -qbox/qbox.py 0.03s OK +qbox/qbox.py 0.04s OK qbox/qboxdata.py 0.00s OK siesta/siesta.py 0.00s SKIPPED: use --calculators=siesta to enable -turbomole/turbomole_2h2o.py 0.00s SKIPPED: use --calculators=turbomole to enable +turbomole/turbomole_2h2o.py 0.01s SKIPPED: use --calculators=turbomole to enable turbomole/turbomole_H2.py 0.00s SKIPPED: use --calculators=turbomole to enable -dynamic_neb.py 16.17s OK -turbomole/turbomole_au13.py 0.04s SKIPPED: use --calculators=turbomole to enable -turbomole/turbomole_h3o2m.py 0.00s SKIPPED: use --calculators=turbomole to enable +turbomole/turbomole_au13.py 0.07s SKIPPED: use --calculators=turbomole to enable +turbomole/turbomole_h2o.py 0.00s SKIPPED: use --calculators=turbomole to enable +ga/database_logic.py 1.53s OK +turbomole/turbomole_h3o2m.py 0.02s SKIPPED: use --calculators=turbomole to enable turbomole/turbomole_optimizer.py 0.00s SKIPPED: use --calculators=turbomole to enable +vasp/vasp_xml.py 0.00s SKIPPED: Neither VASP_COMMAND nor VASP_SCRIPT defined turbomole/turbomole_qmmm.py 0.00s SKIPPED: use --calculators=turbomole to enable vasp/vasp2_Al_volrelax.py 0.00s SKIPPED: Neither ASE_VASP_COMMAND, VASP_COMMAND nor VASP_SCRIPT defined vasp/vasp2_cell.py 0.00s SKIPPED: Neither ASE_VASP_COMMAND, VASP_COMMAND nor VASP_SCRIPT defined @@ -3396,7 +3434,6 @@ vasp/vasp2_import.py 0.00s SKIPPED: Neither ASE_VASP_COMMAND, VASP_COMMAND nor VASP_SCRIPT defined vasp/vasp2_kpoints.py 0.00s SKIPPED: Neither ASE_VASP_COMMAND, VASP_COMMAND nor VASP_SCRIPT defined vasp/vasp2_wdir.py 0.00s SKIPPED: Neither ASE_VASP_COMMAND, VASP_COMMAND nor VASP_SCRIPT defined -turbomole/turbomole_h2o.py 0.03s SKIPPED: use --calculators=turbomole to enable vasp/vasp2_xc.py 0.00s SKIPPED: Neither ASE_VASP_COMMAND, VASP_COMMAND nor VASP_SCRIPT defined vasp/vasp2_xml.py 0.00s SKIPPED: Neither ASE_VASP_COMMAND, VASP_COMMAND nor VASP_SCRIPT defined vasp/vasp_Al_volrelax.py 0.00s SKIPPED: Neither VASP_COMMAND nor VASP_SCRIPT defined @@ -3406,21 +3443,19 @@ vasp/vasp_kpoints.py 0.00s SKIPPED: use --calculators=vasp to enable vasp/vasp_setup.py 0.00s SKIPPED: use --calculators=vasp to enable vasp/vasp_xc.py 0.00s SKIPPED: use --calculators=vasp to enable -vasp/vasp_xml.py 0.00s SKIPPED: Neither VASP_COMMAND nor VASP_SCRIPT defined -ga/database_logic.py 1.89s OK -preconunitcellfilter.py 10.83s OK -thermochemistry.py 6.87s OK -ga/utilities.py 0.95s OK -langevin.py 17.35s OK -verlet.py 8.81s OK -phonon_md_init.py 16.58s OK -db/db.py 8.92s OK -unitcellfilterpressure.py 11.54s OK -ga/basic_example_main_run.py 9.63s OK -qmmm_tip4p.py 21.91s OK -rattle.py 32.04s OK -preconlbfgs.py 51.86s OK -c60.py 74.07s OK +ga/particle_comparators.py 0.61s OK +ga/utilities.py 1.36s OK +unitcellfilterpressure.py 7.51s OK +verlet.py 8.64s OK +langevin.py 19.15s OK +db/db.py 8.74s OK +phonon_md_init.py 17.55s OK +neighbor_kernel.py 18.67s OK +ga/basic_example_main_run.py 10.78s OK +qmmm_tip4p.py 18.92s OK +rattle.py 28.23s OK +preconlbfgs.py 41.80s OK +c60.py 183.86s OK ========== Summary ========== Number of tests 266 Passes: 186 @@ -3429,7 +3464,7 @@ Skipped: 80 ============================= Test suite passed! -Time elapsed: 74.1 s +Time elapsed: 183.9 s make[1]: Leaving directory '/build/python-ase-3.17.0' create-stamp debian/debhelper-build-stamp fakeroot debian/rules binary @@ -3972,12 +4007,12 @@ copying /build/python-ase-3.17.0/.pybuild/cpython2_2.7_ase/build/ase/io/gaussian.pyc -> /build/python-ase-3.17.0/debian/python-ase/usr/lib/python2.7/dist-packages/ase/io copying /build/python-ase-3.17.0/.pybuild/cpython2_2.7_ase/build/ase/io/findsym.pyc -> /build/python-ase-3.17.0/debian/python-ase/usr/lib/python2.7/dist-packages/ase/io copying /build/python-ase-3.17.0/.pybuild/cpython2_2.7_ase/build/ase/io/dlp4.pyc -> /build/python-ase-3.17.0/debian/python-ase/usr/lib/python2.7/dist-packages/ase/io -copying /build/python-ase-3.17.0/.pybuild/cpython2_2.7_ase/build/ase/io/xsd.pyc -> /build/python-ase-3.17.0/debian/python-ase/usr/lib/python2.7/dist-packages/ase/io copying /build/python-ase-3.17.0/.pybuild/cpython2_2.7_ase/build/ase/io/dacapo.pyc -> /build/python-ase-3.17.0/debian/python-ase/usr/lib/python2.7/dist-packages/ase/io copying /build/python-ase-3.17.0/.pybuild/cpython2_2.7_ase/build/ase/io/cube.pyc -> /build/python-ase-3.17.0/debian/python-ase/usr/lib/python2.7/dist-packages/ase/io -copying /build/python-ase-3.17.0/.pybuild/cpython2_2.7_ase/build/ase/io/vasp.pyc -> /build/python-ase-3.17.0/debian/python-ase/usr/lib/python2.7/dist-packages/ase/io copying /build/python-ase-3.17.0/.pybuild/cpython2_2.7_ase/build/ase/io/crystal.pyc -> /build/python-ase-3.17.0/debian/python-ase/usr/lib/python2.7/dist-packages/ase/io copying /build/python-ase-3.17.0/.pybuild/cpython2_2.7_ase/build/ase/io/cmdft.pyc -> /build/python-ase-3.17.0/debian/python-ase/usr/lib/python2.7/dist-packages/ase/io +copying /build/python-ase-3.17.0/.pybuild/cpython2_2.7_ase/build/ase/io/xsd.pyc -> /build/python-ase-3.17.0/debian/python-ase/usr/lib/python2.7/dist-packages/ase/io +copying /build/python-ase-3.17.0/.pybuild/cpython2_2.7_ase/build/ase/io/vasp.pyc -> /build/python-ase-3.17.0/debian/python-ase/usr/lib/python2.7/dist-packages/ase/io copying /build/python-ase-3.17.0/.pybuild/cpython2_2.7_ase/build/ase/io/turbomole.pyc -> /build/python-ase-3.17.0/debian/python-ase/usr/lib/python2.7/dist-packages/ase/io copying /build/python-ase-3.17.0/.pybuild/cpython2_2.7_ase/build/ase/io/res.pyc -> /build/python-ase-3.17.0/debian/python-ase/usr/lib/python2.7/dist-packages/ase/io copying /build/python-ase-3.17.0/.pybuild/cpython2_2.7_ase/build/ase/io/proteindatabank.pyc -> /build/python-ase-3.17.0/debian/python-ase/usr/lib/python2.7/dist-packages/ase/io @@ -5470,8 +5505,8 @@ copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/__pycache__/phonons.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/__pycache__ copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/__pycache__/dimer.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/__pycache__ copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/__pycache__/autoneb.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/__pycache__ -copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/__pycache__/neighborlist.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/__pycache__ copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/__pycache__/neb.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/__pycache__ +copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/__pycache__/neighborlist.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/__pycache__ copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/__pycache__/eos.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/__pycache__ copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/__pycache__/__main__.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/__pycache__ copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/__pycache__/symbols.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/__pycache__ @@ -5531,8 +5566,8 @@ copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/calculators/__pycache__/socketio.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/calculators/__pycache__ copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/calculators/__pycache__/qmmm.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/calculators/__pycache__ copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/calculators/__pycache__/morse.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/calculators/__pycache__ -copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/calculators/__pycache__/test.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/calculators/__pycache__ copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/calculators/__pycache__/eam.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/calculators/__pycache__ +copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/calculators/__pycache__/test.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/calculators/__pycache__ copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/calculators/__pycache__/ff.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/calculators/__pycache__ copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/calculators/__pycache__/checkpoint.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/calculators/__pycache__ copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/calculators/__pycache__/lj.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/calculators/__pycache__ @@ -6037,22 +6072,22 @@ copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/io/__pycache__/findsym.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/io/__pycache__ copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/io/__pycache__/eps.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/io/__pycache__ copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/io/__pycache__/dlp4.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/io/__pycache__ +copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/io/__pycache__/xsd.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/io/__pycache__ copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/io/__pycache__/dacapo.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/io/__pycache__ copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/io/__pycache__/cube.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/io/__pycache__ copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/io/__pycache__/crystal.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/io/__pycache__ copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/io/__pycache__/cmdft.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/io/__pycache__ copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/io/__pycache__/vasp.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/io/__pycache__ -copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/io/__pycache__/xsd.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/io/__pycache__ copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/io/__pycache__/turbomole.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/io/__pycache__ copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/io/__pycache__/res.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/io/__pycache__ copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/io/__pycache__/espresso.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/io/__pycache__ copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/io/__pycache__/proteindatabank.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/io/__pycache__ copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/io/__pycache__/nomad_json.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/io/__pycache__ copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/io/__pycache__/mustem.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/io/__pycache__ -copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/io/__pycache__/utils.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/io/__pycache__ -copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/io/__pycache__/animation.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/io/__pycache__ copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/io/__pycache__/dftb.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/io/__pycache__ +copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/io/__pycache__/utils.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/io/__pycache__ copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/io/__pycache__/cif.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/io/__pycache__ +copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/io/__pycache__/animation.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/io/__pycache__ copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/io/__pycache__/cfg.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/io/__pycache__ copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/io/__pycache__/eon.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/io/__pycache__ copying /build/python-ase-3.17.0/.pybuild/cpython3_3.7_ase/build/ase/io/__pycache__/extxyz.cpython-37.pyc -> /build/python-ase-3.17.0/debian/python3-ase/usr/lib/python3.7/dist-packages/ase/io/__pycache__ @@ -7737,68 +7772,68 @@ ./doc/ase saxs.png ./doc/ase xrd.png running: ./doc/ase/precon.py -PreconLBFGS: 0 09:07:14 11.881544 5.0770 -PreconLBFGS: 1 09:07:15 8.230006 3.1725 -PreconLBFGS: 2 09:07:15 6.434215 2.4099 -PreconLBFGS: 3 09:07:16 4.880166 1.7857 -PreconLBFGS: 4 09:07:16 3.605357 1.2634 -PreconLBFGS: 5 09:07:16 2.615136 0.9398 -PreconLBFGS: 6 09:07:17 1.899866 0.7232 -PreconLBFGS: 7 09:07:17 1.293481 0.5623 -PreconLBFGS: 8 09:07:18 1.189910 0.5356 -PreconLBFGS: 9 09:07:18 1.012954 0.4268 -PreconLBFGS: 10 09:07:18 0.774599 0.2488 -PreconLBFGS: 11 09:07:19 0.748215 0.2252 -PreconLBFGS: 12 09:07:19 0.716786 0.1754 -PreconLBFGS: 13 09:07:20 0.696647 0.1359 -PreconLBFGS: 14 09:07:20 0.671818 0.1199 -PreconLBFGS: 15 09:07:20 0.662553 0.0923 -PreconLBFGS: 16 09:07:21 0.656969 0.0887 -PreconLBFGS: 17 09:07:21 0.651271 0.0727 -PreconLBFGS: 18 09:07:21 0.645026 0.0665 -PreconLBFGS: 19 09:07:22 0.641267 0.0527 -PreconLBFGS: 20 09:07:22 0.639566 0.0443 -PreconLBFGS: 21 09:07:22 0.638366 0.0341 -PreconLBFGS: 22 09:07:23 0.636998 0.0281 -PreconLBFGS: 23 09:07:23 0.635896 0.0245 -PreconLBFGS: 24 09:07:23 0.635551 0.0187 -PreconLBFGS: 25 09:07:24 0.635271 0.0153 -PreconLBFGS: 26 09:07:24 0.635113 0.0119 -PreconLBFGS: 27 09:07:25 0.634786 0.0081 -PreconLBFGS: 28 09:07:25 0.634732 0.0079 -PreconLBFGS: 29 09:07:25 0.634670 0.0073 -PreconLBFGS: 30 09:07:26 0.634594 0.0074 -PreconLBFGS: 31 09:07:26 0.634554 0.0055 -PreconLBFGS: 32 09:07:26 0.634519 0.0049 -PreconLBFGS: 33 09:07:27 0.634507 0.0048 -PreconLBFGS: 34 09:07:27 0.634480 0.0035 -PreconLBFGS: 35 09:07:27 0.634467 0.0031 -PreconLBFGS: 36 09:07:27 0.634461 0.0026 -PreconLBFGS: 37 09:07:28 0.634458 0.0020 -PreconLBFGS: 38 09:07:28 0.634454 0.0015 -PreconLBFGS: 39 09:07:29 0.634451 0.0012 -PreconLBFGS: 40 09:07:29 0.634450 0.0010 -PreconLBFGS: 41 09:07:29 0.634449 0.0008 -PreconLBFGS: 0 09:07:30 11.881544 5.0770 -PreconLBFGS: 1 09:07:30 9.794004 4.0022 -PreconLBFGS: 2 09:07:30 7.255200 3.4746 -PreconLBFGS: 3 09:07:30 5.549106 2.7617 -PreconLBFGS: 4 09:07:31 4.035108 2.2864 -PreconLBFGS: 5 09:07:31 2.863264 1.7975 -PreconLBFGS: 6 09:07:31 1.959784 1.3794 -PreconLBFGS: 7 09:07:32 1.320358 0.9968 -PreconLBFGS: 8 09:07:32 0.915396 0.6498 -PreconLBFGS: 9 09:07:32 0.661456 0.1398 -PreconLBFGS: 10 09:07:33 0.648887 0.0729 -PreconLBFGS: 11 09:07:33 0.637267 0.0277 -PreconLBFGS: 12 09:07:33 0.635899 0.0211 -PreconLBFGS: 13 09:07:34 0.634980 0.0153 -PreconLBFGS: 14 09:07:34 0.634676 0.0073 -PreconLBFGS: 15 09:07:35 0.634541 0.0032 -PreconLBFGS: 16 09:07:35 0.634478 0.0026 -PreconLBFGS: 17 09:07:36 0.634460 0.0020 -PreconLBFGS: 18 09:07:36 0.634452 0.0011 -PreconLBFGS: 19 09:07:36 0.634449 0.0008 +PreconLBFGS: 0 04:56:13 11.881544 5.0770 +PreconLBFGS: 1 04:56:13 8.230006 3.1725 +PreconLBFGS: 2 04:56:13 6.434215 2.4099 +PreconLBFGS: 3 04:56:13 4.880166 1.7857 +PreconLBFGS: 4 04:56:14 3.605357 1.2634 +PreconLBFGS: 5 04:56:14 2.615136 0.9398 +PreconLBFGS: 6 04:56:14 1.899866 0.7232 +PreconLBFGS: 7 04:56:14 1.293481 0.5623 +PreconLBFGS: 8 04:56:15 1.189910 0.5356 +PreconLBFGS: 9 04:56:15 1.012954 0.4268 +PreconLBFGS: 10 04:56:15 0.774599 0.2488 +PreconLBFGS: 11 04:56:15 0.748215 0.2252 +PreconLBFGS: 12 04:56:15 0.716786 0.1754 +PreconLBFGS: 13 04:56:16 0.696647 0.1359 +PreconLBFGS: 14 04:56:16 0.671818 0.1199 +PreconLBFGS: 15 04:56:16 0.662553 0.0923 +PreconLBFGS: 16 04:56:16 0.656969 0.0887 +PreconLBFGS: 17 04:56:17 0.651271 0.0727 +PreconLBFGS: 18 04:56:17 0.645026 0.0665 +PreconLBFGS: 19 04:56:17 0.641267 0.0527 +PreconLBFGS: 20 04:56:17 0.639566 0.0443 +PreconLBFGS: 21 04:56:17 0.638366 0.0341 +PreconLBFGS: 22 04:56:18 0.636998 0.0281 +PreconLBFGS: 23 04:56:18 0.635896 0.0245 +PreconLBFGS: 24 04:56:18 0.635551 0.0187 +PreconLBFGS: 25 04:56:18 0.635271 0.0153 +PreconLBFGS: 26 04:56:19 0.635113 0.0119 +PreconLBFGS: 27 04:56:19 0.634786 0.0081 +PreconLBFGS: 28 04:56:19 0.634732 0.0079 +PreconLBFGS: 29 04:56:19 0.634670 0.0073 +PreconLBFGS: 30 04:56:19 0.634594 0.0074 +PreconLBFGS: 31 04:56:20 0.634554 0.0055 +PreconLBFGS: 32 04:56:20 0.634519 0.0049 +PreconLBFGS: 33 04:56:20 0.634507 0.0048 +PreconLBFGS: 34 04:56:20 0.634480 0.0035 +PreconLBFGS: 35 04:56:20 0.634467 0.0031 +PreconLBFGS: 36 04:56:21 0.634461 0.0026 +PreconLBFGS: 37 04:56:21 0.634458 0.0020 +PreconLBFGS: 38 04:56:21 0.634454 0.0015 +PreconLBFGS: 39 04:56:21 0.634451 0.0012 +PreconLBFGS: 40 04:56:22 0.634450 0.0010 +PreconLBFGS: 41 04:56:22 0.634449 0.0008 +PreconLBFGS: 0 04:56:22 11.881544 5.0770 +PreconLBFGS: 1 04:56:22 9.794004 4.0022 +PreconLBFGS: 2 04:56:23 7.255200 3.4746 +PreconLBFGS: 3 04:56:23 5.549106 2.7617 +PreconLBFGS: 4 04:56:23 4.035108 2.2864 +PreconLBFGS: 5 04:56:23 2.863264 1.7975 +PreconLBFGS: 6 04:56:24 1.959784 1.3794 +PreconLBFGS: 7 04:56:24 1.320358 0.9968 +PreconLBFGS: 8 04:56:24 0.915396 0.6498 +PreconLBFGS: 9 04:56:25 0.661456 0.1398 +PreconLBFGS: 10 04:56:25 0.648887 0.0729 +PreconLBFGS: 11 04:56:25 0.637267 0.0277 +PreconLBFGS: 12 04:56:25 0.635899 0.0211 +PreconLBFGS: 13 04:56:26 0.634980 0.0153 +PreconLBFGS: 14 04:56:26 0.634676 0.0073 +PreconLBFGS: 15 04:56:26 0.634541 0.0032 +PreconLBFGS: 16 04:56:26 0.634478 0.0026 +PreconLBFGS: 17 04:56:27 0.634460 0.0020 +PreconLBFGS: 18 04:56:27 0.634452 0.0011 +PreconLBFGS: 19 04:56:27 0.634449 0.0008 ./doc/ase precon.png running: ./doc/ase/plot_radii.py ./doc/ase atomic_radii.png @@ -7924,10 +7959,10 @@ ./doc/ase/cluster truncated.png running: ./doc/ase/db/db.py Step Time Energy fmax -BFGS: 0 09:07:51 1.419426 9.8029 -BFGS: 1 09:07:51 1.070582 0.0853 -BFGS: 2 09:07:51 1.070544 0.0237 -BFGS: 3 09:07:51 1.070541 0.0001 +BFGS: 0 04:56:41 1.419426 9.8029 +BFGS: 1 04:56:41 1.070582 0.0853 +BFGS: 2 04:56:41 1.070544 0.0237 +BFGS: 3 04:56:41 1.070541 0.0001 /usr/bin/python3: Error while finding module specification for 'ase.visualize.mlab' (ModuleNotFoundError: No module named 'ase') Traceback (most recent call last): File "/build/python-ase-3.17.0/ase/utils/sphinx.py", line 120, in create_png_files @@ -8190,99 +8225,99 @@ True True False False False] Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 09:09:24 4.639215* 0.2538 -BFGSLineSearch: 1[ 2] 09:09:24 4.622063* 0.1580 -BFGSLineSearch: 2[ 4] 09:09:24 4.613340* 0.0622 -BFGSLineSearch: 3[ 5] 09:09:24 4.611640* 0.0336 +BFGSLineSearch: 0[ 0] 04:58:08 4.639215* 0.2538 +BFGSLineSearch: 1[ 2] 04:58:08 4.622063* 0.1580 +BFGSLineSearch: 2[ 4] 04:58:08 4.613340* 0.0622 +BFGSLineSearch: 3[ 5] 04:58:08 4.611640* 0.0336 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 09:09:24 4.639215* 0.2538 -BFGSLineSearch: 1[ 2] 09:09:24 4.622063* 0.1580 -BFGSLineSearch: 2[ 4] 09:09:24 4.613340* 0.0622 -BFGSLineSearch: 3[ 5] 09:09:24 4.611640* 0.0336 +BFGSLineSearch: 0[ 0] 04:58:08 4.639215* 0.2538 +BFGSLineSearch: 1[ 2] 04:58:08 4.622063* 0.1580 +BFGSLineSearch: 2[ 4] 04:58:08 4.613340* 0.0622 +BFGSLineSearch: 3[ 5] 04:58:08 4.611640* 0.0336 Step Time Energy fmax -MDMin: 0 09:09:24 4.969997 1.0132 -MDMin: 1 09:09:24 4.922173 0.8526 -MDMin: 2 09:09:24 4.833353 0.4715 -MDMin: 3 09:09:25 4.783147 0.1445 -MDMin: 4 09:09:25 4.762840 0.1083 -MDMin: 5 09:09:25 4.748802 0.1243 -MDMin: 6 09:09:25 4.738339 0.1125 -MDMin: 7 09:09:25 4.734398 0.1373 -MDMin: 8 09:09:25 4.733206 0.1291 -MDMin: 9 09:09:25 4.730681 0.1066 -MDMin: 10 09:09:26 4.728545 0.0796 -MDMin: 11 09:09:26 4.726697 0.0670 -MDMin: 12 09:09:26 4.724795 0.0553 -MDMin: 13 09:09:26 4.723081 0.0394 +MDMin: 0 04:58:09 4.969997 1.0132 +MDMin: 1 04:58:09 4.922173 0.8526 +MDMin: 2 04:58:09 4.833353 0.4715 +MDMin: 3 04:58:09 4.783147 0.1445 +MDMin: 4 04:58:09 4.762840 0.1083 +MDMin: 5 04:58:09 4.748802 0.1243 +MDMin: 6 04:58:09 4.738339 0.1125 +MDMin: 7 04:58:09 4.734398 0.1373 +MDMin: 8 04:58:09 4.733206 0.1291 +MDMin: 9 04:58:09 4.730681 0.1066 +MDMin: 10 04:58:09 4.728545 0.0796 +MDMin: 11 04:58:10 4.726697 0.0670 +MDMin: 12 04:58:10 4.724795 0.0553 +MDMin: 13 04:58:10 4.723081 0.0394 [ True True False False True True False False True True False False True True False False False] Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 09:09:26 4.639215* 0.2538 -BFGSLineSearch: 1[ 2] 09:09:26 4.622063* 0.1580 -BFGSLineSearch: 2[ 4] 09:09:26 4.613340* 0.0622 -BFGSLineSearch: 3[ 5] 09:09:26 4.611640* 0.0336 +BFGSLineSearch: 0[ 0] 04:58:10 4.639215* 0.2538 +BFGSLineSearch: 1[ 2] 04:58:10 4.622063* 0.1580 +BFGSLineSearch: 2[ 4] 04:58:10 4.613340* 0.0622 +BFGSLineSearch: 3[ 5] 04:58:10 4.611640* 0.0336 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 09:09:26 4.639215* 0.2538 -BFGSLineSearch: 1[ 2] 09:09:26 4.622063* 0.1580 -BFGSLineSearch: 2[ 4] 09:09:26 4.613340* 0.0622 -BFGSLineSearch: 3[ 5] 09:09:26 4.611640* 0.0336 +BFGSLineSearch: 0[ 0] 04:58:10 4.639215* 0.2538 +BFGSLineSearch: 1[ 2] 04:58:10 4.622063* 0.1580 +BFGSLineSearch: 2[ 4] 04:58:10 4.613340* 0.0622 +BFGSLineSearch: 3[ 5] 04:58:10 4.611640* 0.0336 Step Time Energy fmax -MDMin: 0 09:09:26 7.907337 7.4468 -MDMin: 1 09:09:27 6.168331 3.6842 -MDMin: 2 09:09:27 5.447472 1.0574 -MDMin: 3 09:09:27 5.396259 0.8197 -MDMin: 4 09:09:27 5.309107 0.5214 -MDMin: 5 09:09:27 5.249202 0.4171 -MDMin: 6 09:09:27 5.211870 0.1746 -MDMin: 7 09:09:27 5.193370 0.2491 -MDMin: 8 09:09:27 5.186767 0.1250 -MDMin: 9 09:09:27 5.184593 0.0800 -MDMin: 10 09:09:28 5.182310 0.0874 -MDMin: 11 09:09:28 5.179945 0.0682 -MDMin: 12 09:09:28 5.177732 0.0547 -MDMin: 13 09:09:28 5.175962 0.0309 +MDMin: 0 04:58:10 7.907337 7.4468 +MDMin: 1 04:58:10 6.168331 3.6842 +MDMin: 2 04:58:11 5.447472 1.0574 +MDMin: 3 04:58:11 5.396259 0.8197 +MDMin: 4 04:58:11 5.309107 0.5214 +MDMin: 5 04:58:11 5.249202 0.4171 +MDMin: 6 04:58:11 5.211870 0.1746 +MDMin: 7 04:58:11 5.193370 0.2491 +MDMin: 8 04:58:11 5.186767 0.1250 +MDMin: 9 04:58:11 5.184593 0.0800 +MDMin: 10 04:58:11 5.182310 0.0874 +MDMin: 11 04:58:11 5.179945 0.0682 +MDMin: 12 04:58:12 5.177732 0.0547 +MDMin: 13 04:58:12 5.175962 0.0309 [ True True False False True True False False True True False False True True False False False] Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 09:09:28 4.639215* 0.2538 -BFGSLineSearch: 1[ 2] 09:09:28 4.622063* 0.1580 -BFGSLineSearch: 2[ 4] 09:09:28 4.613340* 0.0622 -BFGSLineSearch: 3[ 5] 09:09:28 4.611640* 0.0336 +BFGSLineSearch: 0[ 0] 04:58:12 4.639215* 0.2538 +BFGSLineSearch: 1[ 2] 04:58:12 4.622063* 0.1580 +BFGSLineSearch: 2[ 4] 04:58:12 4.613340* 0.0622 +BFGSLineSearch: 3[ 5] 04:58:12 4.611640* 0.0336 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 09:09:28 4.639215* 0.2538 -BFGSLineSearch: 1[ 2] 09:09:28 4.622063* 0.1580 -BFGSLineSearch: 2[ 4] 09:09:28 4.613340* 0.0622 -BFGSLineSearch: 3[ 5] 09:09:28 4.611640* 0.0336 +BFGSLineSearch: 0[ 0] 04:58:12 4.639215* 0.2538 +BFGSLineSearch: 1[ 2] 04:58:12 4.622063* 0.1580 +BFGSLineSearch: 2[ 4] 04:58:12 4.613340* 0.0622 +BFGSLineSearch: 3[ 5] 04:58:12 4.611640* 0.0336 Step Time Energy fmax -MDMin: 0 09:09:28 5.433815 1.1528 -MDMin: 1 09:09:28 5.352153 1.0378 -MDMin: 2 09:09:29 5.179224 0.7749 -MDMin: 3 09:09:29 5.033743 0.4672 -MDMin: 4 09:09:29 4.952170 0.2689 -MDMin: 5 09:09:29 4.905035 0.1593 -MDMin: 6 09:09:29 4.877860 0.1282 -MDMin: 7 09:09:29 4.868891 0.1395 -MDMin: 8 09:09:29 4.868163 0.1307 -MDMin: 9 09:09:30 4.866419 0.1103 -MDMin: 10 09:09:30 4.864367 0.0944 -MDMin: 11 09:09:30 4.862194 0.0893 -MDMin: 12 09:09:30 4.859895 0.0854 -MDMin: 13 09:09:30 4.857565 0.0801 -MDMin: 14 09:09:30 4.855300 0.0720 -MDMin: 15 09:09:30 4.853137 0.0588 -MDMin: 16 09:09:31 4.851083 0.0461 +MDMin: 0 04:58:12 5.433815 1.1528 +MDMin: 1 04:58:12 5.352153 1.0378 +MDMin: 2 04:58:12 5.179224 0.7749 +MDMin: 3 04:58:12 5.033743 0.4672 +MDMin: 4 04:58:12 4.952170 0.2689 +MDMin: 5 04:58:13 4.905035 0.1593 +MDMin: 6 04:58:13 4.877860 0.1282 +MDMin: 7 04:58:13 4.868891 0.1395 +MDMin: 8 04:58:13 4.868163 0.1307 +MDMin: 9 04:58:13 4.866419 0.1103 +MDMin: 10 04:58:13 4.864367 0.0944 +MDMin: 11 04:58:13 4.862194 0.0893 +MDMin: 12 04:58:13 4.859895 0.0854 +MDMin: 13 04:58:13 4.857565 0.0801 +MDMin: 14 04:58:14 4.855300 0.0720 +MDMin: 15 04:58:14 4.853137 0.0588 +MDMin: 16 04:58:14 4.851083 0.0461 ./doc/tutorials test.txt running: ./doc/tutorials/surface.py Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 09:09:31 11.689927* 1.0797 -BFGSLineSearch: 1[ 2] 09:09:31 11.670814* 0.4090 -BFGSLineSearch: 2[ 4] 09:09:31 11.625880* 0.0409 +BFGSLineSearch: 0[ 0] 04:58:14 11.689927* 1.0797 +BFGSLineSearch: 1[ 2] 04:58:14 11.670814* 0.4090 +BFGSLineSearch: 2[ 4] 04:58:14 11.625880* 0.0409 Adsorption energy: 0.3235194223180198 ./doc/tutorials surface.png running: ./doc/tutorials/saving_graphics.py @@ -8309,38 +8344,38 @@ running: ./doc/tutorials/constraints/diffusion.py Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 09:09:34 3.323870* 0.2462 -BFGSLineSearch: 1[ 1] 09:09:34 3.314754* 0.0378 +BFGSLineSearch: 0[ 0] 04:58:17 3.323870* 0.2462 +BFGSLineSearch: 1[ 1] 04:58:17 3.314754* 0.0378 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 09:09:34 3.730166* 1.6460 -BFGSLineSearch: 1[ 2] 09:09:34 3.546230* 0.2605 -BFGSLineSearch: 2[ 4] 09:09:34 3.513795* 0.1080 -BFGSLineSearch: 3[ 6] 09:09:34 3.502279* 0.0500 +BFGSLineSearch: 0[ 0] 04:58:17 3.730166* 1.6460 +BFGSLineSearch: 1[ 2] 04:58:17 3.546230* 0.2605 +BFGSLineSearch: 2[ 4] 04:58:17 3.513795* 0.1080 +BFGSLineSearch: 3[ 6] 04:58:17 3.502279* 0.0500 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 09:09:34 3.764262* 1.0444 -BFGSLineSearch: 1[ 2] 09:09:34 3.708446* 0.1203 -BFGSLineSearch: 2[ 4] 09:09:34 3.695835* 0.0668 -BFGSLineSearch: 3[ 6] 09:09:34 3.691660* 0.0618 -BFGSLineSearch: 4[ 7] 09:09:34 3.690089* 0.0300 +BFGSLineSearch: 0[ 0] 04:58:17 3.764262* 1.0444 +BFGSLineSearch: 1[ 2] 04:58:17 3.708446* 0.1203 +BFGSLineSearch: 2[ 4] 04:58:17 3.695835* 0.0668 +BFGSLineSearch: 3[ 6] 04:58:17 3.691660* 0.0618 +BFGSLineSearch: 4[ 7] 04:58:17 3.690089* 0.0300 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 09:09:34 3.580034* 0.6521 -BFGSLineSearch: 1[ 1] 09:09:34 3.544894* 0.1627 -BFGSLineSearch: 2[ 3] 09:09:34 3.516850* 0.1946 -BFGSLineSearch: 3[ 4] 09:09:34 3.508545* 0.1325 -BFGSLineSearch: 4[ 5] 09:09:34 3.503316* 0.1022 -BFGSLineSearch: 5[ 6] 09:09:34 3.500392* 0.0550 -BFGSLineSearch: 6[ 8] 09:09:34 3.499584* 0.0392 +BFGSLineSearch: 0[ 0] 04:58:17 3.580034* 0.6521 +BFGSLineSearch: 1[ 1] 04:58:17 3.544894* 0.1627 +BFGSLineSearch: 2[ 3] 04:58:17 3.516850* 0.1946 +BFGSLineSearch: 3[ 4] 04:58:17 3.508545* 0.1325 +BFGSLineSearch: 4[ 5] 04:58:17 3.503316* 0.1022 +BFGSLineSearch: 5[ 6] 04:58:17 3.500392* 0.0550 +BFGSLineSearch: 6[ 8] 04:58:17 3.499584* 0.0392 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 09:09:34 3.463634* 0.5332 -BFGSLineSearch: 1[ 2] 09:09:34 3.356702* 0.4028 -BFGSLineSearch: 2[ 3] 09:09:34 3.333298* 0.1536 -BFGSLineSearch: 3[ 4] 09:09:34 3.322604* 0.1003 -BFGSLineSearch: 4[ 5] 09:09:34 3.318477* 0.0658 -BFGSLineSearch: 5[ 6] 09:09:34 3.316534* 0.0483 +BFGSLineSearch: 0[ 0] 04:58:17 3.463634* 0.5332 +BFGSLineSearch: 1[ 2] 04:58:17 3.356702* 0.4028 +BFGSLineSearch: 2[ 3] 04:58:17 3.333298* 0.1536 +BFGSLineSearch: 3[ 4] 04:58:17 3.322604* 0.1003 +BFGSLineSearch: 4[ 5] 04:58:17 3.318477* 0.0658 +BFGSLineSearch: 5[ 6] 04:58:17 3.316534* 0.0483 ./doc/tutorials/constraints diffusion-path.png running: ./doc/tutorials/db/run.py Added 0 key-value pairs (0 pairs updated) @@ -8369,54 +8404,54 @@ running: ./doc/tutorials/neb/diffusion.py Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 09:10:19 3.323870* 0.2462 -BFGSLineSearch: 1[ 1] 09:10:19 3.314754* 0.0378 +BFGSLineSearch: 0[ 0] 04:58:51 3.323870* 0.2462 +BFGSLineSearch: 1[ 1] 04:58:51 3.314754* 0.0378 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 09:10:19 3.320051* 0.1208 -BFGSLineSearch: 1[ 1] 09:10:19 3.316117* 0.0474 +BFGSLineSearch: 0[ 0] 04:58:51 3.320051* 0.1208 +BFGSLineSearch: 1[ 1] 04:58:51 3.316117* 0.0474 Step Time Energy fmax -BFGS: 0 09:10:19 4.219952 3.5208 -BFGS: 1 09:10:19 3.983963 2.4270 -BFGS: 2 09:10:20 3.830638 1.5293 -BFGS: 3 09:10:20 3.743967 0.8014 -BFGS: 4 09:10:20 3.709472 0.2219 -BFGS: 5 09:10:20 3.706320 0.2134 -BFGS: 6 09:10:20 3.705189 0.2258 -BFGS: 7 09:10:20 3.700939 0.2330 -BFGS: 8 09:10:20 3.694951 0.2134 -BFGS: 9 09:10:20 3.691450 0.1696 -BFGS: 10 09:10:20 3.691712 0.0892 -BFGS: 11 09:10:20 3.691722 0.0997 -BFGS: 12 09:10:20 3.690994 0.0824 -BFGS: 13 09:10:20 3.689906 0.0726 -BFGS: 14 09:10:20 3.689587 0.0767 -BFGS: 15 09:10:21 3.689807 0.0886 -BFGS: 16 09:10:21 3.689751 0.0972 -BFGS: 17 09:10:21 3.689210 0.0694 -BFGS: 18 09:10:21 3.688775 0.0294 +BFGS: 0 04:58:51 4.219952 3.5208 +BFGS: 1 04:58:51 3.983963 2.4270 +BFGS: 2 04:58:51 3.830638 1.5293 +BFGS: 3 04:58:51 3.743967 0.8014 +BFGS: 4 04:58:51 3.709472 0.2219 +BFGS: 5 04:58:52 3.706320 0.2134 +BFGS: 6 04:58:52 3.705189 0.2258 +BFGS: 7 04:58:52 3.700939 0.2330 +BFGS: 8 04:58:52 3.694951 0.2134 +BFGS: 9 04:58:52 3.691450 0.1696 +BFGS: 10 04:58:52 3.691712 0.0892 +BFGS: 11 04:58:52 3.691722 0.0997 +BFGS: 12 04:58:52 3.690994 0.0824 +BFGS: 13 04:58:52 3.689906 0.0726 +BFGS: 14 04:58:52 3.689587 0.0767 +BFGS: 15 04:58:52 3.689807 0.0886 +BFGS: 16 04:58:52 3.689751 0.0972 +BFGS: 17 04:58:52 3.689210 0.0694 +BFGS: 18 04:58:52 3.688775 0.0294 Step Time Energy fmax -BFGS: 0 09:10:21 3.688775 0.0294 -BFGS: 1 09:10:21 3.688761 0.0270 -BFGS: 2 09:10:21 3.688744 0.0195 -BFGS: 3 09:10:21 3.688744 0.0200 -BFGS: 4 09:10:21 3.688720 0.0149 -BFGS: 5 09:10:21 3.688718 0.0103 -BFGS: 6 09:10:21 3.688720 0.0078 -BFGS: 7 09:10:21 3.688721 0.0081 -BFGS: 8 09:10:22 3.688718 0.0080 -BFGS: 9 09:10:22 3.688715 0.0090 -BFGS: 10 09:10:22 3.688716 0.0074 -BFGS: 11 09:10:22 3.688716 0.0058 -BFGS: 12 09:10:22 3.688716 0.0050 -BFGS: 13 09:10:22 3.688714 0.0054 -BFGS: 14 09:10:22 3.688715 0.0062 -BFGS: 15 09:10:22 3.688719 0.0082 -BFGS: 16 09:10:22 3.688724 0.0118 -BFGS: 17 09:10:22 3.688727 0.0130 -BFGS: 18 09:10:22 3.688722 0.0101 -BFGS: 19 09:10:22 3.688717 0.0052 -BFGS: 20 09:10:22 3.688717 0.0041 +BFGS: 0 04:58:52 3.688775 0.0294 +BFGS: 1 04:58:52 3.688761 0.0270 +BFGS: 2 04:58:53 3.688744 0.0195 +BFGS: 3 04:58:53 3.688744 0.0200 +BFGS: 4 04:58:53 3.688720 0.0149 +BFGS: 5 04:58:53 3.688718 0.0103 +BFGS: 6 04:58:53 3.688720 0.0078 +BFGS: 7 04:58:53 3.688721 0.0081 +BFGS: 8 04:58:53 3.688718 0.0080 +BFGS: 9 04:58:53 3.688715 0.0090 +BFGS: 10 04:58:53 3.688716 0.0074 +BFGS: 11 04:58:53 3.688716 0.0058 +BFGS: 12 04:58:53 3.688716 0.0050 +BFGS: 13 04:58:53 3.688714 0.0054 +BFGS: 14 04:58:53 3.688715 0.0062 +BFGS: 15 04:58:53 3.688719 0.0082 +BFGS: 16 04:58:53 3.688724 0.0118 +BFGS: 17 04:58:53 3.688727 0.0130 +BFGS: 18 04:58:53 3.688722 0.0101 +BFGS: 19 04:58:53 3.688717 0.0052 +BFGS: 20 04:58:54 3.688717 0.0041 ./doc/tutorials/neb diffusion-I.png ./doc/tutorials/neb diffusion-T.png ./doc/tutorials/neb diffusion-F.png @@ -9147,10 +9182,10 @@ dh_gencontrol -O--buildsystem=pybuild dh_md5sums -O--buildsystem=pybuild dh_builddeb -O--buildsystem=pybuild -dpkg-deb: building package 'ase' in '../ase_3.17.0-2_all.deb'. dpkg-deb: building package 'python-ase' in '../python-ase_3.17.0-2_all.deb'. -dpkg-deb: building package 'python-ase-doc' in '../python-ase-doc_3.17.0-2_all.deb'. +dpkg-deb: building package 'ase' in '../ase_3.17.0-2_all.deb'. dpkg-deb: building package 'python3-ase' in '../python3-ase_3.17.0-2_all.deb'. +dpkg-deb: building package 'python-ase-doc' in '../python-ase-doc_3.17.0-2_all.deb'. dpkg-genbuildinfo --build=binary dpkg-genchanges --build=binary >../python-ase_3.17.0-2_amd64.changes dpkg-genchanges: info: binary-only upload (no source code included) @@ -9158,12 +9193,14 @@ dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: not including original source code in upload I: copying local configuration +I: user script /srv/workspace/pbuilder/427507/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/427507/tmp/hooks/B01_cleanup finished I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env -I: removing directory /srv/workspace/pbuilder/2792375 and its subdirectories -I: Current time: Thu Jan 12 09:11:26 -12 2023 -I: pbuilder-time-stamp: 1673557886 +I: removing directory /srv/workspace/pbuilder/427507 and its subdirectories +I: Current time: Sat Dec 11 04:59:52 +14 2021 +I: pbuilder-time-stamp: 1639148392