Diff of the two buildlogs: -- --- b1/build.log 2025-03-09 01:31:11.333545813 +0000 +++ b2/build.log 2025-03-09 01:57:34.658420527 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Fri Apr 10 19:41:13 -12 2026 -I: pbuilder-time-stamp: 1775893273 +I: Current time: Sun Mar 9 15:31:17 +14 2025 +I: pbuilder-time-stamp: 1741483877 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz] I: copying local configuration @@ -27,54 +27,86 @@ dpkg-source: info: applying doc_intersphinx.patch I: Not using root during the build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/80119/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/21433/tmp/hooks/D01_modify_environment starting +debug: Running on ionos2-i386. +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 +'/bin/sh' -> '/bin/bash' +lrwxrwxrwx 1 root root 9 Mar 9 01:31 /bin/sh -> /bin/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/21433/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/21433/tmp/hooks/D02_print_environment starting I: set - BUILDDIR='/build/reproducible-path' - BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' - BUILDUSERNAME='pbuilder1' - BUILD_ARCH='i386' - DEBIAN_FRONTEND='noninteractive' - DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=22 ' - DISTRIBUTION='trixie' - HOME='/root' - HOST_ARCH='i386' + BASH=/bin/sh + BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath + BASH_ALIASES=() + BASH_ARGC=() + BASH_ARGV=() + BASH_CMDS=() + BASH_LINENO=([0]="12" [1]="0") + BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:. + BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") + BASH_VERSINFO=([0]="5" [1]="2" [2]="37" [3]="1" [4]="release" [5]="i686-pc-linux-gnu") + BASH_VERSION='5.2.37(1)-release' + BUILDDIR=/build/reproducible-path + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=i386 + DEBIAN_FRONTEND=noninteractive + DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=10 ' + DIRSTACK=() + DISTRIBUTION=trixie + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=i686 + HOST_ARCH=i386 IFS=' ' - INVOCATION_ID='8c49c8852dae4314b6f8f6d3ace90fc5' - LANG='C' - LANGUAGE='en_US:en' - LC_ALL='C' - LD_LIBRARY_PATH='/usr/lib/libeatmydata' - LD_PRELOAD='libeatmydata.so' - 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='80119' - PS1='# ' - PS2='> ' + INVOCATION_ID=82ab7a61962f45009288ce40eb469cc3 + LANG=C + LANGUAGE=de_CH:de + LC_ALL=C + LD_LIBRARY_PATH=/usr/lib/libeatmydata + LD_PRELOAD=libeatmydata.so + MACHTYPE=i686-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=21433 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/r-b-build.v0wIXjyd/pbuilderrc_elMw --distribution trixie --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.v0wIXjyd/b1 --logfile b1/build.log python-ase_3.24.0-1.dsc' - SUDO_GID='112' - SUDO_UID='107' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://213.165.73.152:3128' + 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/r-b-build.v0wIXjyd/pbuilderrc_sWqw --distribution trixie --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.v0wIXjyd/b2 --logfile b2/build.log python-ase_3.24.0-1.dsc' + SUDO_GID=112 + SUDO_UID=107 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://46.16.76.132:3128 I: uname -a - Linux ionos16-i386 6.1.0-31-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.128-1 (2025-02-07) x86_64 GNU/Linux + Linux i-capture-the-hostname 6.1.0-31-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.128-1 (2025-02-07) x86_64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Nov 22 2024 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/80119/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Nov 22 14:40 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/21433/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -449,7 +481,7 @@ Get: 297 http://deb.debian.org/debian trixie/main i386 xdg-utils all 1.2.1-2 [75.8 kB] Get: 298 http://deb.debian.org/debian trixie/main i386 texlive-base all 2024.20250114-1 [22.8 MB] Get: 299 http://deb.debian.org/debian trixie/main i386 texlive-latex-base all 2024.20250114-1 [1282 kB] -Fetched 252 MB in 2s (109 MB/s) +Fetched 252 MB in 4s (64.2 MB/s) Preconfiguring packages ... Selecting previously unselected package fonts-lato. (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 ... 19787 files and directories currently installed.) @@ -1413,8 +1445,8 @@ Setting up tzdata (2025a-2) ... Current default time zone: 'Etc/UTC' -Local time is now: Sat Apr 11 07:41:56 UTC 2026. -Universal Time is now: Sat Apr 11 07:41:56 UTC 2026. +Local time is now: Sun Mar 9 01:32:54 UTC 2025. +Universal Time is now: Sun Mar 9 01:32:54 UTC 2025. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up libxcb-present0:i386 (1.17.0-2+b1) ... @@ -1701,7 +1733,11 @@ Building tag database... -> Finished parsing the build-deps I: Building the package -I: Running cd /build/reproducible-path/python-ase-3.24.0/ && 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_3.24.0-1_source.changes +I: user script /srv/workspace/pbuilder/21433/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for trixie +I: user script /srv/workspace/pbuilder/21433/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/python-ase-3.24.0/ && 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_3.24.0-1_source.changes dpkg-buildpackage: info: source package python-ase dpkg-buildpackage: info: source version 3.24.0-1 dpkg-buildpackage: info: source distribution unstable @@ -1724,1270 +1760,1270 @@ * Building wheel... No `packages` or `py_modules` configuration, performing automatic discovery. `flat-layout` detected -- analysing . -discovered packages -- ['ase', 'ase.io', 'ase.spectrum', 'ase.cli', 'ase.visualize', 'ase.mep', 'ase.test', 'ase.spacegroup', 'ase.gui', 'ase.optimize', 'ase.utils', 'ase.collections', 'ase.geometry', 'ase.ga', 'ase.calculators', 'ase.build', 'ase.data', 'ase.cluster', 'ase.md', 'ase.lattice', 'ase.transport', 'ase.db', 'ase.dft', 'ase.vibrations', 'ase.io.espresso_namelist', 'ase.io.octopus', 'ase.io.castep', 'ase.io.vasp_parsers', 'ase.io.nwchem', 'ase.test.spectrum', 'ase.test.cli', 'ase.test.standardization', 'ase.test.atoms', 'ase.test.neighbor', 'ase.test.spacegroup', 'ase.test.bravais', 'ase.test.neb', 'ase.test.gui', 'ase.test.optimize', 'ase.test.emt', 'ase.test.constraints', 'ase.test.fio', 'ase.test.geometry', 'ase.test.ga', 'ase.test.filter', 'ase.test.precon', 'ase.test.build_', 'ase.test.md', 'ase.test.forcefields', 'ase.test.lammpsdata', 'ase.test.transport', 'ase.test.cell', 'ase.test.db', 'ase.test.testdata', 'ase.test.bandstructure', 'ase.test.dft', 'ase.test.calculator', 'ase.test.vibrations', 'ase.test.fio.vasp', 'ase.test.fio.exciting', 'ase.test.fio.octopus', 'ase.test.fio.castep', 'ase.test.fio.aims', 'ase.test.testdata.io', 'ase.test.testdata.vasp', 'ase.test.testdata.siesta', 'ase.test.testdata.octopus', 'ase.test.testdata.castep', 'ase.test.testdata.aims', 'ase.test.testdata.minerals', 'ase.test.testdata.nwchem', 'ase.test.testdata.io.eon', 'ase.test.testdata.vasp.Li', 'ase.test.calculator.crystal', 'ase.test.calculator.vasp', 'ase.test.calculator.gpaw_', 'ase.test.calculator.cp2k', 'ase.test.calculator.turbomole', 'ase.test.calculator.siesta', 'ase.test.calculator.socketio', 'ase.test.calculator.exciting', 'ase.test.calculator.octopus', 'ase.test.calculator.demonnano', 'ase.test.calculator.castep', 'ase.test.calculator.gaussian', 'ase.test.calculator.onetep', 'ase.test.calculator.dftb', 'ase.test.calculator.kim', 'ase.test.calculator.aims', 'ase.test.calculator.elk', 'ase.test.calculator.lammpslib', 'ase.test.calculator.amber', 'ase.test.calculator.abinit', 'ase.test.calculator.espresso', 'ase.test.calculator.ace', 'ase.test.calculator.psi4', 'ase.test.calculator.lammpsrun', 'ase.test.calculator.plumed', 'ase.test.calculator.openmx', 'ase.test.calculator.dmol', 'ase.test.calculator.lammps', 'ase.test.calculator.nwchem', 'ase.test.calculator.demon', 'ase.test.calculator.gromacs', 'ase.test.calculator.qchem', 'ase.test.calculator.gamess_us', 'ase.test.calculator.siesta.test_scripts', 'ase.test.calculator.siesta.lrtddft', 'ase.test.calculator.siesta.test_scripts.Charge', 'ase.test.calculator.siesta.test_scripts.Na8', 'ase.test.calculator.siesta.test_scripts.H2', 'ase.test.calculator.siesta.test_scripts.Si', 'ase.test.calculator.siesta.test_scripts.CH4', 'ase.test.calculator.siesta.lrtddft.raman_espresso', 'ase.test.calculator.openmx.md', 'ase.gui.po', 'ase.gui.po.gl', 'ase.gui.po.es', 'ase.gui.po.da', 'ase.gui.po.fi', 'ase.gui.po.en_GB', 'ase.gui.po.zh_CN', 'ase.gui.po.fr', 'ase.gui.po.eu', 'ase.gui.po.sv', 'ase.gui.po.ru', 'ase.gui.po.de', 'ase.gui.po.gl.LC_MESSAGES', 'ase.gui.po.es.LC_MESSAGES', 'ase.gui.po.da.LC_MESSAGES', 'ase.gui.po.fi.LC_MESSAGES', 'ase.gui.po.en_GB.LC_MESSAGES', 'ase.gui.po.zh_CN.LC_MESSAGES', 'ase.gui.po.fr.LC_MESSAGES', 'ase.gui.po.eu.LC_MESSAGES', 'ase.gui.po.sv.LC_MESSAGES', 'ase.gui.po.ru.LC_MESSAGES', 'ase.gui.po.de.LC_MESSAGES', 'ase.optimize.test', 'ase.optimize.gpmin', 'ase.optimize.precon', 'ase.geometry.dimensionality', 'ase.ga.tools', 'ase.calculators.vasp', 'ase.calculators.turbomole', 'ase.calculators.siesta', 'ase.calculators.exciting', 'ase.calculators.kim', 'ase.calculators.openmx', 'ase.calculators.lammps', 'ase.calculators.demon', 'ase.db.templates', 'ase.db.static'] +discovered packages -- ['ase', 'ase.cli', 'ase.cluster', 'ase.test', 'ase.transport', 'ase.md', 'ase.optimize', 'ase.data', 'ase.vibrations', 'ase.utils', 'ase.gui', 'ase.build', 'ase.mep', 'ase.spacegroup', 'ase.collections', 'ase.spectrum', 'ase.db', 'ase.geometry', 'ase.calculators', 'ase.lattice', 'ase.ga', 'ase.dft', 'ase.io', 'ase.visualize', 'ase.test.cli', 'ase.test.neb', 'ase.test.emt', 'ase.test.transport', 'ase.test.lammpsdata', 'ase.test.md', 'ase.test.forcefields', 'ase.test.optimize', 'ase.test.neighbor', 'ase.test.vibrations', 'ase.test.constraints', 'ase.test.gui', 'ase.test.standardization', 'ase.test.spacegroup', 'ase.test.bandstructure', 'ase.test.atoms', 'ase.test.spectrum', 'ase.test.filter', 'ase.test.fio', 'ase.test.calculator', 'ase.test.testdata', 'ase.test.precon', 'ase.test.db', 'ase.test.geometry', 'ase.test.cell', 'ase.test.ga', 'ase.test.dft', 'ase.test.build_', 'ase.test.bravais', 'ase.test.fio.exciting', 'ase.test.fio.vasp', 'ase.test.fio.castep', 'ase.test.fio.aims', 'ase.test.fio.octopus', 'ase.test.calculator.onetep', 'ase.test.calculator.siesta', 'ase.test.calculator.exciting', 'ase.test.calculator.psi4', 'ase.test.calculator.lammpsrun', 'ase.test.calculator.gamess_us', 'ase.test.calculator.qchem', 'ase.test.calculator.nwchem', 'ase.test.calculator.demonnano', 'ase.test.calculator.lammpslib', 'ase.test.calculator.vasp', 'ase.test.calculator.dmol', 'ase.test.calculator.lammps', 'ase.test.calculator.castep', 'ase.test.calculator.socketio', 'ase.test.calculator.aims', 'ase.test.calculator.plumed', 'ase.test.calculator.abinit', 'ase.test.calculator.demon', 'ase.test.calculator.amber', 'ase.test.calculator.ace', 'ase.test.calculator.octopus', 'ase.test.calculator.elk', 'ase.test.calculator.gaussian', 'ase.test.calculator.gromacs', 'ase.test.calculator.cp2k', 'ase.test.calculator.kim', 'ase.test.calculator.espresso', 'ase.test.calculator.turbomole', 'ase.test.calculator.crystal', 'ase.test.calculator.dftb', 'ase.test.calculator.openmx', 'ase.test.calculator.gpaw_', 'ase.test.calculator.siesta.test_scripts', 'ase.test.calculator.siesta.lrtddft', 'ase.test.calculator.siesta.test_scripts.Si', 'ase.test.calculator.siesta.test_scripts.Na8', 'ase.test.calculator.siesta.test_scripts.CH4', 'ase.test.calculator.siesta.test_scripts.H2', 'ase.test.calculator.siesta.test_scripts.Charge', 'ase.test.calculator.siesta.lrtddft.raman_espresso', 'ase.test.calculator.openmx.md', 'ase.test.testdata.siesta', 'ase.test.testdata.nwchem', 'ase.test.testdata.vasp', 'ase.test.testdata.castep', 'ase.test.testdata.aims', 'ase.test.testdata.minerals', 'ase.test.testdata.octopus', 'ase.test.testdata.io', 'ase.test.testdata.vasp.Li', 'ase.test.testdata.io.eon', 'ase.optimize.test', 'ase.optimize.precon', 'ase.optimize.gpmin', 'ase.gui.po', 'ase.gui.po.zh_CN', 'ase.gui.po.eu', 'ase.gui.po.de', 'ase.gui.po.en_GB', 'ase.gui.po.gl', 'ase.gui.po.fr', 'ase.gui.po.sv', 'ase.gui.po.es', 'ase.gui.po.da', 'ase.gui.po.fi', 'ase.gui.po.ru', 'ase.gui.po.zh_CN.LC_MESSAGES', 'ase.gui.po.eu.LC_MESSAGES', 'ase.gui.po.de.LC_MESSAGES', 'ase.gui.po.en_GB.LC_MESSAGES', 'ase.gui.po.gl.LC_MESSAGES', 'ase.gui.po.fr.LC_MESSAGES', 'ase.gui.po.sv.LC_MESSAGES', 'ase.gui.po.es.LC_MESSAGES', 'ase.gui.po.da.LC_MESSAGES', 'ase.gui.po.fi.LC_MESSAGES', 'ase.gui.po.ru.LC_MESSAGES', 'ase.db.templates', 'ase.db.static', 'ase.geometry.dimensionality', 'ase.calculators.siesta', 'ase.calculators.exciting', 'ase.calculators.vasp', 'ase.calculators.lammps', 'ase.calculators.demon', 'ase.calculators.kim', 'ase.calculators.turbomole', 'ase.calculators.openmx', 'ase.ga.tools', 'ase.io.nwchem', 'ase.io.castep', 'ase.io.octopus', 'ase.io.espresso_namelist', 'ase.io.vasp_parsers'] running bdist_wheel running build running build_py creating build/lib/ase -copying ase/eos.py -> build/lib/ase -copying ase/dyneb.py -> build/lib/ase -copying ase/phonons.py -> build/lib/ase -copying ase/symbols.py -> build/lib/ase -copying ase/parallel.py -> build/lib/ase -copying ase/pourbaix.py -> build/lib/ase -copying ase/__main__.py -> build/lib/ase -copying ase/neighborlist.py -> build/lib/ase -copying ase/nomad.py -> build/lib/ase -copying ase/stress.py -> build/lib/ase -copying ase/atom.py -> build/lib/ase -copying ase/thermochemistry.py -> build/lib/ase +copying ase/dimer.py -> build/lib/ase copying ase/formula.py -> build/lib/ase -copying ase/__init__.py -> build/lib/ase copying ase/outputs.py -> build/lib/ase copying ase/phasediagram.py -> build/lib/ase +copying ase/atom.py -> build/lib/ase copying ase/units.py -> build/lib/ase -copying ase/constraints.py -> build/lib/ase -copying ase/dimer.py -> build/lib/ase -copying ase/cell.py -> build/lib/ase -copying ase/codes.py -> build/lib/ase copying ase/quaternions.py -> build/lib/ase +copying ase/parallel.py -> build/lib/ase +copying ase/symbols.py -> build/lib/ase +copying ase/constraints.py -> build/lib/ase +copying ase/phonons.py -> build/lib/ase +copying ase/nomad.py -> build/lib/ase copying ase/config.py -> build/lib/ase +copying ase/stress.py -> build/lib/ase +copying ase/pourbaix.py -> build/lib/ase +copying ase/__main__.py -> build/lib/ase copying ase/filters.py -> build/lib/ase +copying ase/dyneb.py -> build/lib/ase +copying ase/cell.py -> build/lib/ase +copying ase/neighborlist.py -> build/lib/ase +copying ase/__init__.py -> build/lib/ase +copying ase/thermochemistry.py -> build/lib/ase +copying ase/eos.py -> build/lib/ase +copying ase/neb.py -> build/lib/ase +copying ase/atoms.py -> build/lib/ase copying ase/autoneb.py -> build/lib/ase +copying ase/codes.py -> build/lib/ase copying ase/dependencies.py -> build/lib/ase -copying ase/atoms.py -> build/lib/ase -copying ase/neb.py -> build/lib/ase -creating build/lib/ase/io -copying ase/io/db.py -> build/lib/ase/io -copying ase/io/cjson.py -> build/lib/ase/io -copying ase/io/cfg.py -> build/lib/ase/io -copying ase/io/aims.py -> build/lib/ase/io -copying ase/io/gaussian.py -> build/lib/ase/io -copying ase/io/siesta.py -> build/lib/ase/io -copying ase/io/wien2k.py -> build/lib/ase/io -copying ase/io/espresso.py -> build/lib/ase/io -copying ase/io/opls.py -> build/lib/ase/io -copying ase/io/formats.py -> build/lib/ase/io -copying ase/io/xsf.py -> build/lib/ase/io -copying ase/io/dftb.py -> build/lib/ase/io -copying ase/io/jsv.py -> build/lib/ase/io -copying ase/io/magres.py -> build/lib/ase/io -copying ase/io/cube.py -> build/lib/ase/io -copying ase/io/mustem.py -> build/lib/ase/io -copying ase/io/prismatic.py -> build/lib/ase/io -copying ase/io/mol.py -> build/lib/ase/io -copying ase/io/dacapo.py -> build/lib/ase/io -copying ase/io/trajectory.py -> build/lib/ase/io -copying ase/io/vtkxml.py -> build/lib/ase/io -copying ase/io/gen.py -> build/lib/ase/io -copying ase/io/gpw.py -> build/lib/ase/io -copying ase/io/elk.py -> build/lib/ase/io -copying ase/io/vasp.py -> build/lib/ase/io -copying ase/io/cif_unicode.py -> build/lib/ase/io -copying ase/io/extxyz.py -> build/lib/ase/io -copying ase/io/pickletrajectory.py -> build/lib/ase/io -copying ase/io/cmdft.py -> build/lib/ase/io -copying ase/io/gamess_us.py -> build/lib/ase/io -copying ase/io/dmol.py -> build/lib/ase/io -copying ase/io/crystal.py -> build/lib/ase/io -copying ase/io/lammpsrun.py -> build/lib/ase/io -copying ase/io/nomad_json.py -> build/lib/ase/io -copying ase/io/res.py -> build/lib/ase/io -copying ase/io/gpaw_out.py -> build/lib/ase/io -copying ase/io/__init__.py -> build/lib/ase/io -copying ase/io/jsonio.py -> build/lib/ase/io -copying ase/io/turbomole.py -> build/lib/ase/io -copying ase/io/aff.py -> build/lib/ase/io -copying ase/io/siesta_input.py -> build/lib/ase/io -copying ase/io/dlp4.py -> build/lib/ase/io -copying ase/io/cif.py -> build/lib/ase/io -copying ase/io/py.py -> build/lib/ase/io -copying ase/io/lammpsdata.py -> build/lib/ase/io -copying ase/io/x3d.py -> build/lib/ase/io -copying ase/io/gpumd.py -> build/lib/ase/io -copying ase/io/gromacs.py -> build/lib/ase/io -copying ase/io/orca.py -> build/lib/ase/io -copying ase/io/sdf.py -> build/lib/ase/io -copying ase/io/png.py -> build/lib/ase/io -copying ase/io/utils.py -> build/lib/ase/io -copying ase/io/xsd.py -> build/lib/ase/io -copying ase/io/eps.py -> build/lib/ase/io -copying ase/io/onetep.py -> build/lib/ase/io -copying ase/io/bytes.py -> build/lib/ase/io -copying ase/io/exciting.py -> build/lib/ase/io -copying ase/io/bader.py -> build/lib/ase/io -copying ase/io/proteindatabank.py -> build/lib/ase/io -copying ase/io/rmc6f.py -> build/lib/ase/io -copying ase/io/eon.py -> build/lib/ase/io -copying ase/io/pov.py -> build/lib/ase/io -copying ase/io/cp2k.py -> build/lib/ase/io -copying ase/io/bundletrajectory.py -> build/lib/ase/io -copying ase/io/sys.py -> build/lib/ase/io -copying ase/io/qbox.py -> build/lib/ase/io -copying ase/io/abinit.py -> build/lib/ase/io -copying ase/io/animation.py -> build/lib/ase/io -copying ase/io/netcdftrajectory.py -> build/lib/ase/io -copying ase/io/amber.py -> build/lib/ase/io -copying ase/io/v_sim.py -> build/lib/ase/io -copying ase/io/wannier90.py -> build/lib/ase/io -copying ase/io/siesta_output.py -> build/lib/ase/io -copying ase/io/ulm.py -> build/lib/ase/io -copying ase/io/findsym.py -> build/lib/ase/io -copying ase/io/xyz.py -> build/lib/ase/io -copying ase/io/gromos.py -> build/lib/ase/io -copying ase/io/zmatrix.py -> build/lib/ase/io -copying ase/io/bundlemanipulate.py -> build/lib/ase/io -copying ase/io/xtd.py -> build/lib/ase/io -copying ase/io/acemolecule.py -> build/lib/ase/io -creating build/lib/ase/spectrum -copying ase/spectrum/dosdata.py -> build/lib/ase/spectrum -copying ase/spectrum/__init__.py -> build/lib/ase/spectrum -copying ase/spectrum/doscollection.py -> build/lib/ase/spectrum -copying ase/spectrum/band_structure.py -> build/lib/ase/spectrum creating build/lib/ase/cli -copying ase/cli/db.py -> build/lib/ase/cli -copying ase/cli/nebplot.py -> build/lib/ase/cli -copying ase/cli/convert.py -> build/lib/ase/cli +copying ase/cli/exec.py -> build/lib/ase/cli copying ase/cli/complete.py -> build/lib/ase/cli copying ase/cli/dimensionality.py -> build/lib/ase/cli -copying ase/cli/template.py -> build/lib/ase/cli -copying ase/cli/nomadget.py -> build/lib/ase/cli +copying ase/cli/ulm.py -> build/lib/ase/cli copying ase/cli/build.py -> build/lib/ase/cli +copying ase/cli/find.py -> build/lib/ase/cli +copying ase/cli/nomadget.py -> build/lib/ase/cli +copying ase/cli/convert.py -> build/lib/ase/cli +copying ase/cli/db.py -> build/lib/ase/cli copying ase/cli/diff.py -> build/lib/ase/cli copying ase/cli/nomad.py -> build/lib/ase/cli -copying ase/cli/exec.py -> build/lib/ase/cli -copying ase/cli/find.py -> build/lib/ase/cli -copying ase/cli/__init__.py -> build/lib/ase/cli +copying ase/cli/nebplot.py -> build/lib/ase/cli +copying ase/cli/band_structure.py -> build/lib/ase/cli +copying ase/cli/template.py -> build/lib/ase/cli +copying ase/cli/reciprocal.py -> build/lib/ase/cli copying ase/cli/completion.py -> build/lib/ase/cli -copying ase/cli/run.py -> build/lib/ase/cli +copying ase/cli/__init__.py -> build/lib/ase/cli copying ase/cli/info.py -> build/lib/ase/cli -copying ase/cli/reciprocal.py -> build/lib/ase/cli +copying ase/cli/run.py -> build/lib/ase/cli copying ase/cli/main.py -> build/lib/ase/cli -copying ase/cli/band_structure.py -> build/lib/ase/cli -copying ase/cli/ulm.py -> build/lib/ase/cli -creating build/lib/ase/visualize -copying ase/visualize/mlab.py -> build/lib/ase/visualize -copying ase/visualize/sage.py -> build/lib/ase/visualize -copying ase/visualize/ngl.py -> build/lib/ase/visualize -copying ase/visualize/viewers.py -> build/lib/ase/visualize -copying ase/visualize/__init__.py -> build/lib/ase/visualize -copying ase/visualize/x3d.py -> build/lib/ase/visualize -copying ase/visualize/paraview_script.py -> build/lib/ase/visualize -copying ase/visualize/plot.py -> build/lib/ase/visualize -creating build/lib/ase/mep -copying ase/mep/dyneb.py -> build/lib/ase/mep -copying ase/mep/__init__.py -> build/lib/ase/mep -copying ase/mep/dimer.py -> build/lib/ase/mep -copying ase/mep/autoneb.py -> build/lib/ase/mep -copying ase/mep/neb.py -> build/lib/ase/mep +creating build/lib/ase/cluster +copying ase/cluster/hexagonal.py -> build/lib/ase/cluster +copying ase/cluster/cluster.py -> build/lib/ase/cluster +copying ase/cluster/base.py -> build/lib/ase/cluster +copying ase/cluster/compounds.py -> build/lib/ase/cluster +copying ase/cluster/cubic.py -> build/lib/ase/cluster +copying ase/cluster/wulff.py -> build/lib/ase/cluster +copying ase/cluster/util.py -> build/lib/ase/cluster +copying ase/cluster/__init__.py -> build/lib/ase/cluster +copying ase/cluster/octahedron.py -> build/lib/ase/cluster +copying ase/cluster/factory.py -> build/lib/ase/cluster +copying ase/cluster/icosahedron.py -> build/lib/ase/cluster +copying ase/cluster/decahedron.py -> build/lib/ase/cluster creating build/lib/ase/test -copying ase/test/test_example.py -> build/lib/ase/test -copying ase/test/test_ptable.py -> build/lib/ase/test -copying ase/test/test_singlepointcalc.py -> build/lib/ase/test -copying ase/test/test_bandpath_kpts_axis.py -> build/lib/ase/test -copying ase/test/test_things.py -> build/lib/ase/test -copying ase/test/test_structure_comparator.py -> build/lib/ase/test -copying ase/test/test_dependency_list.py -> build/lib/ase/test +copying ase/test/test_potential_energies.py -> build/lib/ase/test +copying ase/test/test_calculator_equal.py -> build/lib/ase/test +copying ase/test/conftest.py -> build/lib/ase/test +copying ase/test/test_properties.py -> build/lib/ase/test +copying ase/test/test_imports.py -> build/lib/ase/test +copying ase/test/test_dimer_method.py -> build/lib/ase/test +copying ase/test/test_formula.py -> build/lib/ase/test +copying ase/test/test_minimum_image_convention.py -> build/lib/ase/test copying ase/test/test_forcecurve.py -> build/lib/ase/test -copying ase/test/test_singlepoint_dft_calc.py -> build/lib/ase/test -copying ase/test/test_parsemath.py -> build/lib/ase/test -copying ase/test/test_dos.py -> build/lib/ase/test -copying ase/test/test_util.py -> build/lib/ase/test +copying ase/test/test_structure_comparator.py -> build/lib/ase/test +copying ase/test/test_singlepointcalc.py -> build/lib/ase/test +copying ase/test/test_x3d.py -> build/lib/ase/test copying ase/test/test_stm.py -> build/lib/ase/test -copying ase/test/test_pourbaix.py -> build/lib/ase/test +copying ase/test/test_kpts2kpts.py -> build/lib/ase/test copying ase/test/test_xrdebye.py -> build/lib/ase/test -copying ase/test/test_matplotlib_plot.py -> build/lib/ase/test -copying ase/test/test_s22.py -> build/lib/ase/test -copying ase/test/test_calc_outputs_big.py -> build/lib/ase/test -copying ase/test/test_stress.py -> build/lib/ase/test -copying ase/test/test_external_viewer.py -> build/lib/ase/test -copying ase/test/test_calculator_equal.py -> build/lib/ase/test +copying ase/test/test_xwopen.py -> build/lib/ase/test +copying ase/test/test_lock.py -> build/lib/ase/test +copying ase/test/test_dos.py -> build/lib/ase/test +copying ase/test/test_hcp.py -> build/lib/ase/test +copying ase/test/testsuite.py -> build/lib/ase/test +copying ase/test/test_bader.py -> build/lib/ase/test +copying ase/test/test_lattice_lindep.py -> build/lib/ase/test +copying ase/test/test_nwchem_writer.py -> build/lib/ase/test +copying ase/test/test_doctests.py -> build/lib/ase/test +copying ase/test/test_versionnumber.py -> build/lib/ase/test copying ase/test/test_thermochemistry.py -> build/lib/ase/test -copying ase/test/test_calculator_label.py -> build/lib/ase/test -copying ase/test/test_springcalc.py -> build/lib/ase/test -copying ase/test/test_zmatrix.py -> build/lib/ase/test -copying ase/test/test_units.py -> build/lib/ase/test -copying ase/test/test_checkpoint.py -> build/lib/ase/test -copying ase/test/test_issue276.py -> build/lib/ase/test -copying ase/test/test_potential_energies.py -> build/lib/ase/test -copying ase/test/conftest.py -> build/lib/ase/test +copying ase/test/test_example.py -> build/lib/ase/test +copying ase/test/test_linesearch_maxstep.py -> build/lib/ase/test copying ase/test/test_grid_slice.py -> build/lib/ase/test -copying ase/test/test_phasediagram.py -> build/lib/ase/test -copying ase/test/test_cutoffs.py -> build/lib/ase/test -copying ase/test/test_basin.py -> build/lib/ase/test -copying ase/test/test_phonons.py -> build/lib/ase/test -copying ase/test/test_lattice_lindep.py -> build/lib/ase/test -copying ase/test/test_lock.py -> build/lib/ase/test +copying ase/test/test_matplotlib_plot.py -> build/lib/ase/test copying ase/test/test_diffusion_coefficient.py -> build/lib/ase/test -copying ase/test/test_cluster.py -> build/lib/ase/test -copying ase/test/test_gromacs.py -> build/lib/ase/test -copying ase/test/test_kpts2kpts.py -> build/lib/ase/test -copying ase/test/test_timing.py -> build/lib/ase/test -copying ase/test/test_root_surf.py -> build/lib/ase/test -copying ase/test/test_x3d.py -> build/lib/ase/test -copying ase/test/test_mixingcalc.py -> build/lib/ase/test +copying ase/test/test_ptable.py -> build/lib/ase/test +copying ase/test/test_pathlib_support.py -> build/lib/ase/test +copying ase/test/test_parsemath.py -> build/lib/ase/test +copying ase/test/test_util.py -> build/lib/ase/test copying ase/test/test_makebandpath.py -> build/lib/ase/test -copying ase/test/test_xwopen.py -> build/lib/ase/test copying ase/test/test_eos.py -> build/lib/ase/test -copying ase/test/test_doctests.py -> build/lib/ase/test -copying ase/test/test_loggingcalc.py -> build/lib/ase/test -copying ase/test/__init__.py -> build/lib/ase/test -copying ase/test/test_pubchem.py -> build/lib/ase/test -copying ase/test/test_imports.py -> build/lib/ase/test +copying ase/test/test_stress.py -> build/lib/ase/test +copying ase/test/test_cluster.py -> build/lib/ase/test +copying ase/test/test_noncollinear.py -> build/lib/ase/test +copying ase/test/test_phonons.py -> build/lib/ase/test +copying ase/test/test_calc_outputs_big.py -> build/lib/ase/test copying ase/test/test_quaternions.py -> build/lib/ase/test copying ase/test/test_isotopes.py -> build/lib/ase/test -copying ase/test/test_distmom.py -> build/lib/ase/test -copying ase/test/utils.py -> build/lib/ase/test -copying ase/test/test_minimum_image_convention.py -> build/lib/ase/test -copying ase/test/test_noncollinear.py -> build/lib/ase/test -copying ase/test/test_bader.py -> build/lib/ase/test -copying ase/test/test_linesearch_maxstep.py -> build/lib/ase/test -copying ase/test/test_versionnumber.py -> build/lib/ase/test -copying ase/test/test_dimer_method.py -> build/lib/ase/test -copying ase/test/test_properties.py -> build/lib/ase/test -copying ase/test/test_pathlib_support.py -> build/lib/ase/test +copying ase/test/test_pourbaix.py -> build/lib/ase/test +copying ase/test/test_mixingcalc.py -> build/lib/ase/test copying ase/test/test_filecache.py -> build/lib/ase/test -copying ase/test/test_symbols.py -> build/lib/ase/test -copying ase/test/test_hcp.py -> build/lib/ase/test -copying ase/test/test_nwchem_writer.py -> build/lib/ase/test -copying ase/test/testsuite.py -> build/lib/ase/test -copying ase/test/test_formula.py -> build/lib/ase/test -copying ase/test/test_calc_properties.py -> build/lib/ase/test -copying ase/test/test_mpi.py -> build/lib/ase/test -copying ase/test/factories.py -> build/lib/ase/test +copying ase/test/test_root_surf.py -> build/lib/ase/test +copying ase/test/test_gromacs.py -> build/lib/ase/test +copying ase/test/test_issue276.py -> build/lib/ase/test +copying ase/test/test_phasediagram.py -> build/lib/ase/test +copying ase/test/test_things.py -> build/lib/ase/test +copying ase/test/test_zmatrix.py -> build/lib/ase/test +copying ase/test/test_springcalc.py -> build/lib/ase/test +copying ase/test/test_distmom.py -> build/lib/ase/test +copying ase/test/test_checkpoint.py -> build/lib/ase/test +copying ase/test/test_basin.py -> build/lib/ase/test copying ase/test/test_kpts.py -> build/lib/ase/test +copying ase/test/test_loggingcalc.py -> build/lib/ase/test +copying ase/test/test_cutoffs.py -> build/lib/ase/test copying ase/test/test_dimer.py -> build/lib/ase/test -creating build/lib/ase/spacegroup -copying ase/spacegroup/xtal.py -> build/lib/ase/spacegroup -copying ase/spacegroup/symmetrize.py -> build/lib/ase/spacegroup -copying ase/spacegroup/__init__.py -> build/lib/ase/spacegroup -copying ase/spacegroup/utils.py -> build/lib/ase/spacegroup -copying ase/spacegroup/spacegroup.py -> build/lib/ase/spacegroup -copying ase/spacegroup/crystal_data.py -> build/lib/ase/spacegroup -creating build/lib/ase/gui -copying ase/gui/clipboard.py -> build/lib/ase/gui -copying ase/gui/defaults.py -> build/lib/ase/gui -copying ase/gui/gui.py -> build/lib/ase/gui -copying ase/gui/save.py -> build/lib/ase/gui -copying ase/gui/celleditor.py -> build/lib/ase/gui -copying ase/gui/movie.py -> build/lib/ase/gui -copying ase/gui/add.py -> build/lib/ase/gui -copying ase/gui/rotate.py -> build/lib/ase/gui -copying ase/gui/ui.py -> build/lib/ase/gui -copying ase/gui/pipe.py -> build/lib/ase/gui -copying ase/gui/repeat.py -> build/lib/ase/gui -copying ase/gui/colors.py -> build/lib/ase/gui -copying ase/gui/__init__.py -> build/lib/ase/gui -copying ase/gui/constraints.py -> build/lib/ase/gui -copying ase/gui/graphs.py -> build/lib/ase/gui -copying ase/gui/view.py -> build/lib/ase/gui -copying ase/gui/nanotube.py -> build/lib/ase/gui -copying ase/gui/quickinfo.py -> build/lib/ase/gui -copying ase/gui/utils.py -> build/lib/ase/gui -copying ase/gui/images.py -> build/lib/ase/gui -copying ase/gui/status.py -> build/lib/ase/gui -copying ase/gui/widgets.py -> build/lib/ase/gui -copying ase/gui/surfaceslab.py -> build/lib/ase/gui -copying ase/gui/ag.py -> build/lib/ase/gui -copying ase/gui/i18n.py -> build/lib/ase/gui -copying ase/gui/modify.py -> build/lib/ase/gui -copying ase/gui/render.py -> build/lib/ase/gui -copying ase/gui/settings.py -> build/lib/ase/gui -copying ase/gui/nanoparticle.py -> build/lib/ase/gui +copying ase/test/test_singlepoint_dft_calc.py -> build/lib/ase/test +copying ase/test/test_mpi.py -> build/lib/ase/test +copying ase/test/test_symbols.py -> build/lib/ase/test +copying ase/test/test_timing.py -> build/lib/ase/test +copying ase/test/test_external_viewer.py -> build/lib/ase/test +copying ase/test/__init__.py -> build/lib/ase/test +copying ase/test/factories.py -> build/lib/ase/test +copying ase/test/test_units.py -> build/lib/ase/test +copying ase/test/test_bandpath_kpts_axis.py -> build/lib/ase/test +copying ase/test/test_dependency_list.py -> build/lib/ase/test +copying ase/test/utils.py -> build/lib/ase/test +copying ase/test/test_pubchem.py -> build/lib/ase/test +copying ase/test/test_s22.py -> build/lib/ase/test +copying ase/test/test_calc_properties.py -> build/lib/ase/test +copying ase/test/test_calculator_label.py -> build/lib/ase/test +creating build/lib/ase/transport +copying ase/transport/calculators.py -> build/lib/ase/transport +copying ase/transport/greenfunction.py -> build/lib/ase/transport +copying ase/transport/selfenergy.py -> build/lib/ase/transport +copying ase/transport/stm.py -> build/lib/ase/transport +copying ase/transport/__init__.py -> build/lib/ase/transport +copying ase/transport/tools.py -> build/lib/ase/transport +creating build/lib/ase/md +copying ase/md/md.py -> build/lib/ase/md +copying ase/md/fix.py -> build/lib/ase/md +copying ase/md/nose_hoover_chain.py -> build/lib/ase/md +copying ase/md/npt.py -> build/lib/ase/md +copying ase/md/velocitydistribution.py -> build/lib/ase/md +copying ase/md/contour_exploration.py -> build/lib/ase/md +copying ase/md/analysis.py -> build/lib/ase/md +copying ase/md/verlet.py -> build/lib/ase/md +copying ase/md/nptberendsen.py -> build/lib/ase/md +copying ase/md/andersen.py -> build/lib/ase/md +copying ase/md/switch_langevin.py -> build/lib/ase/md +copying ase/md/nvtberendsen.py -> build/lib/ase/md +copying ase/md/logger.py -> build/lib/ase/md +copying ase/md/__init__.py -> build/lib/ase/md +copying ase/md/bussi.py -> build/lib/ase/md +copying ase/md/langevin.py -> build/lib/ase/md creating build/lib/ase/optimize -copying ase/optimize/sciopt.py -> build/lib/ase/optimize -copying ase/optimize/ode.py -> build/lib/ase/optimize copying ase/optimize/climbfixinternals.py -> build/lib/ase/optimize +copying ase/optimize/basin.py -> build/lib/ase/optimize copying ase/optimize/fire2.py -> build/lib/ase/optimize copying ase/optimize/lbfgs.py -> build/lib/ase/optimize -copying ase/optimize/mdmin.py -> build/lib/ase/optimize -copying ase/optimize/minimahopping.py -> build/lib/ase/optimize copying ase/optimize/bfgslinesearch.py -> build/lib/ase/optimize -copying ase/optimize/__init__.py -> build/lib/ase/optimize +copying ase/optimize/ode.py -> build/lib/ase/optimize +copying ase/optimize/fire.py -> build/lib/ase/optimize +copying ase/optimize/sciopt.py -> build/lib/ase/optimize +copying ase/optimize/mdmin.py -> build/lib/ase/optimize copying ase/optimize/oldqn.py -> build/lib/ase/optimize -copying ase/optimize/basin.py -> build/lib/ase/optimize copying ase/optimize/optimize.py -> build/lib/ase/optimize +copying ase/optimize/__init__.py -> build/lib/ase/optimize copying ase/optimize/bfgs.py -> build/lib/ase/optimize +copying ase/optimize/minimahopping.py -> build/lib/ase/optimize copying ase/optimize/cellawarebfgs.py -> build/lib/ase/optimize -copying ase/optimize/fire.py -> build/lib/ase/optimize +creating build/lib/ase/data +copying ase/data/s22.py -> build/lib/ase/data +copying ase/data/extra_molecules.py -> build/lib/ase/data +copying ase/data/g2.py -> build/lib/ase/data +copying ase/data/g2_1.py -> build/lib/ase/data +copying ase/data/colors.py -> build/lib/ase/data +copying ase/data/pubchem.py -> build/lib/ase/data +copying ase/data/vdw.py -> build/lib/ase/data +copying ase/data/isotopes.py -> build/lib/ase/data +copying ase/data/vdw_alvarez.py -> build/lib/ase/data +copying ase/data/cohesive_energies.py -> build/lib/ase/data +copying ase/data/__init__.py -> build/lib/ase/data +copying ase/data/dbh24.py -> build/lib/ase/data +copying ase/data/g2_2.py -> build/lib/ase/data +copying ase/data/cccbdb_ip.py -> build/lib/ase/data +creating build/lib/ase/vibrations +copying ase/vibrations/data.py -> build/lib/ase/vibrations +copying ase/vibrations/pickle2json.py -> build/lib/ase/vibrations +copying ase/vibrations/resonant_raman.py -> build/lib/ase/vibrations +copying ase/vibrations/vibrations.py -> build/lib/ase/vibrations +copying ase/vibrations/infrared.py -> build/lib/ase/vibrations +copying ase/vibrations/franck_condon.py -> build/lib/ase/vibrations +copying ase/vibrations/placzek.py -> build/lib/ase/vibrations +copying ase/vibrations/__init__.py -> build/lib/ase/vibrations +copying ase/vibrations/raman.py -> build/lib/ase/vibrations +copying ase/vibrations/albrecht.py -> build/lib/ase/vibrations creating build/lib/ase/utils +copying ase/utils/forcecurve.py -> build/lib/ase/utils copying ase/utils/ptable.py -> build/lib/ase/utils -copying ase/utils/plugins.py -> build/lib/ase/utils -copying ase/utils/filecache.py -> build/lib/ase/utils -copying ase/utils/cube.py -> build/lib/ase/utils +copying ase/utils/sphinx.py -> build/lib/ase/utils copying ase/utils/linesearcharmijo.py -> build/lib/ase/utils +copying ase/utils/ff.py -> build/lib/ase/utils +copying ase/utils/timing.py -> build/lib/ase/utils +copying ase/utils/linesearch.py -> build/lib/ase/utils +copying ase/utils/xrdebye.py -> build/lib/ase/utils +copying ase/utils/deltacodesdft.py -> build/lib/ase/utils copying ase/utils/cext.py -> build/lib/ase/utils +copying ase/utils/checkimports.py -> build/lib/ase/utils +copying ase/utils/structure_comparator.py -> build/lib/ase/utils +copying ase/utils/filecache.py -> build/lib/ase/utils +copying ase/utils/cube.py -> build/lib/ase/utils copying ase/utils/newrelease.py -> build/lib/ase/utils -copying ase/utils/parsemath.py -> build/lib/ase/utils -copying ase/utils/xrdebye.py -> build/lib/ase/utils +copying ase/utils/arraywrapper.py -> build/lib/ase/utils copying ase/utils/abc.py -> build/lib/ase/utils -copying ase/utils/linesearch.py -> build/lib/ase/utils -copying ase/utils/sphinx.py -> build/lib/ase/utils -copying ase/utils/__init__.py -> build/lib/ase/utils -copying ase/utils/checkimports.py -> build/lib/ase/utils +copying ase/utils/parsemath.py -> build/lib/ase/utils copying ase/utils/plotting.py -> build/lib/ase/utils -copying ase/utils/timing.py -> build/lib/ase/utils -copying ase/utils/deltacodesdft.py -> build/lib/ase/utils +copying ase/utils/__init__.py -> build/lib/ase/utils +copying ase/utils/plugins.py -> build/lib/ase/utils copying ase/utils/build_web_page.py -> build/lib/ase/utils -copying ase/utils/structure_comparator.py -> build/lib/ase/utils -copying ase/utils/arraywrapper.py -> build/lib/ase/utils -copying ase/utils/ff.py -> build/lib/ase/utils -copying ase/utils/forcecurve.py -> build/lib/ase/utils +creating build/lib/ase/gui +copying ase/gui/defaults.py -> build/lib/ase/gui +copying ase/gui/view.py -> build/lib/ase/gui +copying ase/gui/ui.py -> build/lib/ase/gui +copying ase/gui/repeat.py -> build/lib/ase/gui +copying ase/gui/nanoparticle.py -> build/lib/ase/gui +copying ase/gui/render.py -> build/lib/ase/gui +copying ase/gui/clipboard.py -> build/lib/ase/gui +copying ase/gui/pipe.py -> build/lib/ase/gui +copying ase/gui/status.py -> build/lib/ase/gui +copying ase/gui/i18n.py -> build/lib/ase/gui +copying ase/gui/colors.py -> build/lib/ase/gui +copying ase/gui/constraints.py -> build/lib/ase/gui +copying ase/gui/widgets.py -> build/lib/ase/gui +copying ase/gui/rotate.py -> build/lib/ase/gui +copying ase/gui/ag.py -> build/lib/ase/gui +copying ase/gui/settings.py -> build/lib/ase/gui +copying ase/gui/modify.py -> build/lib/ase/gui +copying ase/gui/nanotube.py -> build/lib/ase/gui +copying ase/gui/save.py -> build/lib/ase/gui +copying ase/gui/movie.py -> build/lib/ase/gui +copying ase/gui/images.py -> build/lib/ase/gui +copying ase/gui/celleditor.py -> build/lib/ase/gui +copying ase/gui/__init__.py -> build/lib/ase/gui +copying ase/gui/utils.py -> build/lib/ase/gui +copying ase/gui/gui.py -> build/lib/ase/gui +copying ase/gui/quickinfo.py -> build/lib/ase/gui +copying ase/gui/graphs.py -> build/lib/ase/gui +copying ase/gui/add.py -> build/lib/ase/gui +copying ase/gui/surfaceslab.py -> build/lib/ase/gui +creating build/lib/ase/build +copying ase/build/niggli.py -> build/lib/ase/build +copying ase/build/surface.py -> build/lib/ase/build +copying ase/build/general_surface.py -> build/lib/ase/build +copying ase/build/rotate.py -> build/lib/ase/build +copying ase/build/root.py -> build/lib/ase/build +copying ase/build/attach.py -> build/lib/ase/build +copying ase/build/molecule.py -> build/lib/ase/build +copying ase/build/surfaces_with_termination.py -> build/lib/ase/build +copying ase/build/ribbon.py -> build/lib/ase/build +copying ase/build/supercells.py -> build/lib/ase/build +copying ase/build/__init__.py -> build/lib/ase/build +copying ase/build/tools.py -> build/lib/ase/build +copying ase/build/connected.py -> build/lib/ase/build +copying ase/build/tube.py -> build/lib/ase/build +copying ase/build/bulk.py -> build/lib/ase/build +creating build/lib/ase/mep +copying ase/mep/dimer.py -> build/lib/ase/mep +copying ase/mep/dyneb.py -> build/lib/ase/mep +copying ase/mep/__init__.py -> build/lib/ase/mep +copying ase/mep/neb.py -> build/lib/ase/mep +copying ase/mep/autoneb.py -> build/lib/ase/mep +creating build/lib/ase/spacegroup +copying ase/spacegroup/crystal_data.py -> build/lib/ase/spacegroup +copying ase/spacegroup/spacegroup.py -> build/lib/ase/spacegroup +copying ase/spacegroup/xtal.py -> build/lib/ase/spacegroup +copying ase/spacegroup/symmetrize.py -> build/lib/ase/spacegroup +copying ase/spacegroup/__init__.py -> build/lib/ase/spacegroup +copying ase/spacegroup/utils.py -> build/lib/ase/spacegroup creating build/lib/ase/collections -copying ase/collections/collection.py -> build/lib/ase/collections copying ase/collections/create.py -> build/lib/ase/collections +copying ase/collections/collection.py -> build/lib/ase/collections copying ase/collections/__init__.py -> build/lib/ase/collections +creating build/lib/ase/spectrum +copying ase/spectrum/band_structure.py -> build/lib/ase/spectrum +copying ase/spectrum/dosdata.py -> build/lib/ase/spectrum +copying ase/spectrum/__init__.py -> build/lib/ase/spectrum +copying ase/spectrum/doscollection.py -> build/lib/ase/spectrum +creating build/lib/ase/db +copying ase/db/mysql.py -> build/lib/ase/db +copying ase/db/postgresql.py -> build/lib/ase/db +copying ase/db/project.py -> build/lib/ase/db +copying ase/db/convert.py -> build/lib/ase/db +copying ase/db/table.py -> build/lib/ase/db +copying ase/db/core.py -> build/lib/ase/db +copying ase/db/__init__.py -> build/lib/ase/db +copying ase/db/row.py -> build/lib/ase/db +copying ase/db/app.py -> build/lib/ase/db +copying ase/db/cli.py -> build/lib/ase/db +copying ase/db/jsondb.py -> build/lib/ase/db +copying ase/db/web.py -> build/lib/ase/db +copying ase/db/sqlite.py -> build/lib/ase/db creating build/lib/ase/geometry -copying ase/geometry/analysis.py -> build/lib/ase/geometry -copying ase/geometry/__init__.py -> build/lib/ase/geometry copying ase/geometry/bravais_type_engine.py -> build/lib/ase/geometry -copying ase/geometry/geometry.py -> build/lib/ase/geometry +copying ase/geometry/rdf.py -> build/lib/ase/geometry +copying ase/geometry/analysis.py -> build/lib/ase/geometry copying ase/geometry/cell.py -> build/lib/ase/geometry +copying ase/geometry/geometry.py -> build/lib/ase/geometry copying ase/geometry/minkowski_reduction.py -> build/lib/ase/geometry copying ase/geometry/distance.py -> build/lib/ase/geometry -copying ase/geometry/rdf.py -> build/lib/ase/geometry -creating build/lib/ase/ga -copying ase/ga/pbs_queue_run.py -> build/lib/ase/ga -copying ase/ga/bulk_utilities.py -> build/lib/ase/ga -copying ase/ga/standard_comparators.py -> build/lib/ase/ga -copying ase/ga/startgenerator.py -> build/lib/ase/ga -copying ase/ga/utilities.py -> build/lib/ase/ga -copying ase/ga/ofp_comparator.py -> build/lib/ase/ga -copying ase/ga/bulk_startgenerator.py -> build/lib/ase/ga -copying ase/ga/offspring_creator.py -> build/lib/ase/ga -copying ase/ga/slab_operators.py -> build/lib/ase/ga -copying ase/ga/parallellocalrun.py -> build/lib/ase/ga -copying ase/ga/element_crossovers.py -> build/lib/ase/ga -copying ase/ga/data.py -> build/lib/ase/ga -copying ase/ga/population.py -> build/lib/ase/ga -copying ase/ga/soft_mutation.py -> build/lib/ase/ga -copying ase/ga/convergence.py -> build/lib/ase/ga -copying ase/ga/__init__.py -> build/lib/ase/ga -copying ase/ga/particle_comparator.py -> build/lib/ase/ga -copying ase/ga/particle_crossovers.py -> build/lib/ase/ga -copying ase/ga/multiprocessingrun.py -> build/lib/ase/ga -copying ase/ga/bulk_crossovers.py -> build/lib/ase/ga -copying ase/ga/bulk_mutations.py -> build/lib/ase/ga -copying ase/ga/element_mutations.py -> build/lib/ase/ga -copying ase/ga/relax_attaches.py -> build/lib/ase/ga -copying ase/ga/particle_mutations.py -> build/lib/ase/ga -copying ase/ga/cutandsplicepairing.py -> build/lib/ase/ga -copying ase/ga/standardmutations.py -> build/lib/ase/ga +copying ase/geometry/__init__.py -> build/lib/ase/geometry creating build/lib/ase/calculators copying ase/calculators/excitation_list.py -> build/lib/ase/calculators -copying ase/calculators/fleur.py -> build/lib/ase/calculators -copying ase/calculators/aims.py -> build/lib/ase/calculators -copying ase/calculators/gaussian.py -> build/lib/ase/calculators +copying ase/calculators/subprocesscalculator.py -> build/lib/ase/calculators copying ase/calculators/h2morse.py -> build/lib/ase/calculators -copying ase/calculators/socketio.py -> build/lib/ase/calculators -copying ase/calculators/harmonic.py -> build/lib/ase/calculators +copying ase/calculators/cp2k.py -> build/lib/ase/calculators +copying ase/calculators/checkpoint.py -> build/lib/ase/calculators copying ase/calculators/qchem.py -> build/lib/ase/calculators -copying ase/calculators/espresso.py -> build/lib/ase/calculators -copying ase/calculators/fd.py -> build/lib/ase/calculators -copying ase/calculators/subprocesscalculator.py -> build/lib/ase/calculators -copying ase/calculators/tip3p.py -> build/lib/ase/calculators -copying ase/calculators/dftb.py -> build/lib/ase/calculators -copying ase/calculators/combine_mm.py -> build/lib/ase/calculators -copying ase/calculators/test.py -> build/lib/ase/calculators copying ase/calculators/calculator.py -> build/lib/ase/calculators +copying ase/calculators/ff.py -> build/lib/ase/calculators +copying ase/calculators/singlepoint.py -> build/lib/ase/calculators +copying ase/calculators/gulp.py -> build/lib/ase/calculators +copying ase/calculators/nwchem.py -> build/lib/ase/calculators +copying ase/calculators/onetep.py -> build/lib/ase/calculators +copying ase/calculators/fleur.py -> build/lib/ase/calculators +copying ase/calculators/loggingcalc.py -> build/lib/ase/calculators copying ase/calculators/eam.py -> build/lib/ase/calculators -copying ase/calculators/psi4.py -> build/lib/ase/calculators -copying ase/calculators/castep.py -> build/lib/ase/calculators -copying ase/calculators/emt.py -> build/lib/ase/calculators -copying ase/calculators/lj.py -> build/lib/ase/calculators -copying ase/calculators/elk.py -> build/lib/ase/calculators -copying ase/calculators/mopac.py -> build/lib/ase/calculators -copying ase/calculators/tip4p.py -> build/lib/ase/calculators -copying ase/calculators/plumed.py -> build/lib/ase/calculators -copying ase/calculators/abc.py -> build/lib/ase/calculators copying ase/calculators/gamess_us.py -> build/lib/ase/calculators -copying ase/calculators/dmol.py -> build/lib/ase/calculators -copying ase/calculators/morse.py -> build/lib/ase/calculators -copying ase/calculators/crystal.py -> build/lib/ase/calculators +copying ase/calculators/polarizability.py -> build/lib/ase/calculators +copying ase/calculators/acemolecule.py -> build/lib/ase/calculators copying ase/calculators/lammpsrun.py -> build/lib/ase/calculators -copying ase/calculators/gulp.py -> build/lib/ase/calculators +copying ase/calculators/genericfileio.py -> build/lib/ase/calculators copying ase/calculators/qmmm.py -> build/lib/ase/calculators +copying ase/calculators/octopus.py -> build/lib/ase/calculators +copying ase/calculators/morse.py -> build/lib/ase/calculators +copying ase/calculators/aims.py -> build/lib/ase/calculators +copying ase/calculators/vdwcorrection.py -> build/lib/ase/calculators copying ase/calculators/counterions.py -> build/lib/ase/calculators -copying ase/calculators/genericfileio.py -> build/lib/ase/calculators -copying ase/calculators/__init__.py -> build/lib/ase/calculators -copying ase/calculators/singlepoint.py -> build/lib/ase/calculators -copying ase/calculators/loggingcalc.py -> build/lib/ase/calculators copying ase/calculators/names.py -> build/lib/ase/calculators +copying ase/calculators/tip3p.py -> build/lib/ase/calculators +copying ase/calculators/test.py -> build/lib/ase/calculators +copying ase/calculators/dftb.py -> build/lib/ase/calculators +copying ase/calculators/dftd3.py -> build/lib/ase/calculators +copying ase/calculators/idealgas.py -> build/lib/ase/calculators copying ase/calculators/gromacs.py -> build/lib/ase/calculators copying ase/calculators/orca.py -> build/lib/ase/calculators -copying ase/calculators/octopus.py -> build/lib/ase/calculators -copying ase/calculators/lammpslib.py -> build/lib/ase/calculators -copying ase/calculators/onetep.py -> build/lib/ase/calculators -copying ase/calculators/idealgas.py -> build/lib/ase/calculators -copying ase/calculators/dftd3.py -> build/lib/ase/calculators -copying ase/calculators/nwchem.py -> build/lib/ase/calculators -copying ase/calculators/cp2k.py -> build/lib/ase/calculators -copying ase/calculators/acn.py -> build/lib/ase/calculators -copying ase/calculators/vdwcorrection.py -> build/lib/ase/calculators -copying ase/calculators/polarizability.py -> build/lib/ase/calculators +copying ase/calculators/castep.py -> build/lib/ase/calculators +copying ase/calculators/mixing.py -> build/lib/ase/calculators +copying ase/calculators/fd.py -> build/lib/ase/calculators +copying ase/calculators/dmol.py -> build/lib/ase/calculators +copying ase/calculators/emt.py -> build/lib/ase/calculators +copying ase/calculators/combine_mm.py -> build/lib/ase/calculators +copying ase/calculators/plumed.py -> build/lib/ase/calculators copying ase/calculators/bond_polarizability.py -> build/lib/ase/calculators +copying ase/calculators/lj.py -> build/lib/ase/calculators +copying ase/calculators/tip4p.py -> build/lib/ase/calculators +copying ase/calculators/abc.py -> build/lib/ase/calculators copying ase/calculators/abinit.py -> build/lib/ase/calculators +copying ase/calculators/harmonic.py -> build/lib/ase/calculators copying ase/calculators/demonnano.py -> build/lib/ase/calculators -copying ase/calculators/mixing.py -> build/lib/ase/calculators +copying ase/calculators/mopac.py -> build/lib/ase/calculators +copying ase/calculators/__init__.py -> build/lib/ase/calculators +copying ase/calculators/lammpslib.py -> build/lib/ase/calculators +copying ase/calculators/psi4.py -> build/lib/ase/calculators +copying ase/calculators/crystal.py -> build/lib/ase/calculators copying ase/calculators/amber.py -> build/lib/ase/calculators -copying ase/calculators/checkpoint.py -> build/lib/ase/calculators -copying ase/calculators/ff.py -> build/lib/ase/calculators -copying ase/calculators/acemolecule.py -> build/lib/ase/calculators -creating build/lib/ase/build -copying ase/build/general_surface.py -> build/lib/ase/build -copying ase/build/surface.py -> build/lib/ase/build -copying ase/build/surfaces_with_termination.py -> build/lib/ase/build -copying ase/build/rotate.py -> build/lib/ase/build -copying ase/build/bulk.py -> build/lib/ase/build -copying ase/build/tools.py -> build/lib/ase/build -copying ase/build/connected.py -> build/lib/ase/build -copying ase/build/ribbon.py -> build/lib/ase/build -copying ase/build/supercells.py -> build/lib/ase/build -copying ase/build/root.py -> build/lib/ase/build -copying ase/build/tube.py -> build/lib/ase/build -copying ase/build/__init__.py -> build/lib/ase/build -copying ase/build/niggli.py -> build/lib/ase/build -copying ase/build/attach.py -> build/lib/ase/build -copying ase/build/molecule.py -> build/lib/ase/build -creating build/lib/ase/data -copying ase/data/cohesive_energies.py -> build/lib/ase/data -copying ase/data/isotopes.py -> build/lib/ase/data -copying ase/data/dbh24.py -> build/lib/ase/data -copying ase/data/colors.py -> build/lib/ase/data -copying ase/data/__init__.py -> build/lib/ase/data -copying ase/data/cccbdb_ip.py -> build/lib/ase/data -copying ase/data/pubchem.py -> build/lib/ase/data -copying ase/data/g2.py -> build/lib/ase/data -copying ase/data/extra_molecules.py -> build/lib/ase/data -copying ase/data/vdw_alvarez.py -> build/lib/ase/data -copying ase/data/g2_1.py -> build/lib/ase/data -copying ase/data/vdw.py -> build/lib/ase/data -copying ase/data/g2_2.py -> build/lib/ase/data -copying ase/data/s22.py -> build/lib/ase/data -creating build/lib/ase/cluster -copying ase/cluster/hexagonal.py -> build/lib/ase/cluster -copying ase/cluster/util.py -> build/lib/ase/cluster -copying ase/cluster/__init__.py -> build/lib/ase/cluster -copying ase/cluster/cluster.py -> build/lib/ase/cluster -copying ase/cluster/cubic.py -> build/lib/ase/cluster -copying ase/cluster/compounds.py -> build/lib/ase/cluster -copying ase/cluster/icosahedron.py -> build/lib/ase/cluster -copying ase/cluster/decahedron.py -> build/lib/ase/cluster -copying ase/cluster/wulff.py -> build/lib/ase/cluster -copying ase/cluster/octahedron.py -> build/lib/ase/cluster -copying ase/cluster/factory.py -> build/lib/ase/cluster -copying ase/cluster/base.py -> build/lib/ase/cluster -creating build/lib/ase/md -copying ase/md/verlet.py -> build/lib/ase/md -copying ase/md/nptberendsen.py -> build/lib/ase/md -copying ase/md/velocitydistribution.py -> build/lib/ase/md -copying ase/md/fix.py -> build/lib/ase/md -copying ase/md/bussi.py -> build/lib/ase/md -copying ase/md/logger.py -> build/lib/ase/md -copying ase/md/analysis.py -> build/lib/ase/md -copying ase/md/npt.py -> build/lib/ase/md -copying ase/md/switch_langevin.py -> build/lib/ase/md -copying ase/md/__init__.py -> build/lib/ase/md -copying ase/md/nose_hoover_chain.py -> build/lib/ase/md -copying ase/md/md.py -> build/lib/ase/md -copying ase/md/nvtberendsen.py -> build/lib/ase/md -copying ase/md/contour_exploration.py -> build/lib/ase/md -copying ase/md/andersen.py -> build/lib/ase/md -copying ase/md/langevin.py -> build/lib/ase/md +copying ase/calculators/socketio.py -> build/lib/ase/calculators +copying ase/calculators/espresso.py -> build/lib/ase/calculators +copying ase/calculators/gaussian.py -> build/lib/ase/calculators +copying ase/calculators/acn.py -> build/lib/ase/calculators +copying ase/calculators/elk.py -> build/lib/ase/calculators creating build/lib/ase/lattice copying ase/lattice/hexagonal.py -> build/lib/ase/lattice copying ase/lattice/monoclinic.py -> build/lib/ase/lattice -copying ase/lattice/triclinic.py -> build/lib/ase/lattice -copying ase/lattice/orthorhombic.py -> build/lib/ase/lattice -copying ase/lattice/__init__.py -> build/lib/ase/lattice -copying ase/lattice/cubic.py -> build/lib/ase/lattice -copying ase/lattice/compounds.py -> build/lib/ase/lattice copying ase/lattice/tetragonal.py -> build/lib/ase/lattice copying ase/lattice/bravais.py -> build/lib/ase/lattice -creating build/lib/ase/transport -copying ase/transport/tools.py -> build/lib/ase/transport -copying ase/transport/greenfunction.py -> build/lib/ase/transport -copying ase/transport/__init__.py -> build/lib/ase/transport -copying ase/transport/calculators.py -> build/lib/ase/transport -copying ase/transport/stm.py -> build/lib/ase/transport -copying ase/transport/selfenergy.py -> build/lib/ase/transport -creating build/lib/ase/db -copying ase/db/sqlite.py -> build/lib/ase/db -copying ase/db/convert.py -> build/lib/ase/db -copying ase/db/table.py -> build/lib/ase/db -copying ase/db/project.py -> build/lib/ase/db -copying ase/db/postgresql.py -> build/lib/ase/db -copying ase/db/__init__.py -> build/lib/ase/db -copying ase/db/jsondb.py -> build/lib/ase/db -copying ase/db/core.py -> build/lib/ase/db -copying ase/db/mysql.py -> build/lib/ase/db -copying ase/db/web.py -> build/lib/ase/db -copying ase/db/row.py -> build/lib/ase/db -copying ase/db/app.py -> build/lib/ase/db -copying ase/db/cli.py -> build/lib/ase/db +copying ase/lattice/compounds.py -> build/lib/ase/lattice +copying ase/lattice/orthorhombic.py -> build/lib/ase/lattice +copying ase/lattice/triclinic.py -> build/lib/ase/lattice +copying ase/lattice/cubic.py -> build/lib/ase/lattice +copying ase/lattice/__init__.py -> build/lib/ase/lattice +creating build/lib/ase/ga +copying ase/ga/population.py -> build/lib/ase/ga +copying ase/ga/particle_mutations.py -> build/lib/ase/ga +copying ase/ga/standardmutations.py -> build/lib/ase/ga +copying ase/ga/element_mutations.py -> build/lib/ase/ga +copying ase/ga/particle_comparator.py -> build/lib/ase/ga +copying ase/ga/data.py -> build/lib/ase/ga +copying ase/ga/particle_crossovers.py -> build/lib/ase/ga +copying ase/ga/slab_operators.py -> build/lib/ase/ga +copying ase/ga/multiprocessingrun.py -> build/lib/ase/ga +copying ase/ga/bulk_startgenerator.py -> build/lib/ase/ga +copying ase/ga/relax_attaches.py -> build/lib/ase/ga +copying ase/ga/cutandsplicepairing.py -> build/lib/ase/ga +copying ase/ga/bulk_utilities.py -> build/lib/ase/ga +copying ase/ga/parallellocalrun.py -> build/lib/ase/ga +copying ase/ga/bulk_crossovers.py -> build/lib/ase/ga +copying ase/ga/utilities.py -> build/lib/ase/ga +copying ase/ga/startgenerator.py -> build/lib/ase/ga +copying ase/ga/element_crossovers.py -> build/lib/ase/ga +copying ase/ga/soft_mutation.py -> build/lib/ase/ga +copying ase/ga/bulk_mutations.py -> build/lib/ase/ga +copying ase/ga/__init__.py -> build/lib/ase/ga +copying ase/ga/convergence.py -> build/lib/ase/ga +copying ase/ga/pbs_queue_run.py -> build/lib/ase/ga +copying ase/ga/offspring_creator.py -> build/lib/ase/ga +copying ase/ga/standard_comparators.py -> build/lib/ase/ga +copying ase/ga/ofp_comparator.py -> build/lib/ase/ga creating build/lib/ase/dft copying ase/dft/pars_mbeefvdw.py -> build/lib/ase/dft +copying ase/dft/pars_beefvdw.py -> build/lib/ase/dft copying ase/dft/wannier.py -> build/lib/ase/dft -copying ase/dft/bee.py -> build/lib/ase/dft copying ase/dft/bandgap.py -> build/lib/ase/dft -copying ase/dft/bz.py -> build/lib/ase/dft -copying ase/dft/pars_mbeef.py -> build/lib/ase/dft +copying ase/dft/band_structure.py -> build/lib/ase/dft +copying ase/dft/stm.py -> build/lib/ase/dft copying ase/dft/dos.py -> build/lib/ase/dft -copying ase/dft/__init__.py -> build/lib/ase/dft copying ase/dft/kpoints.py -> build/lib/ase/dft +copying ase/dft/pars_mbeef.py -> build/lib/ase/dft +copying ase/dft/__init__.py -> build/lib/ase/dft +copying ase/dft/bee.py -> build/lib/ase/dft copying ase/dft/wannierstate.py -> build/lib/ase/dft -copying ase/dft/stm.py -> build/lib/ase/dft -copying ase/dft/pars_beefvdw.py -> build/lib/ase/dft -copying ase/dft/band_structure.py -> build/lib/ase/dft -creating build/lib/ase/vibrations -copying ase/vibrations/raman.py -> build/lib/ase/vibrations -copying ase/vibrations/pickle2json.py -> build/lib/ase/vibrations -copying ase/vibrations/franck_condon.py -> build/lib/ase/vibrations -copying ase/vibrations/resonant_raman.py -> build/lib/ase/vibrations -copying ase/vibrations/data.py -> build/lib/ase/vibrations -copying ase/vibrations/__init__.py -> build/lib/ase/vibrations -copying ase/vibrations/vibrations.py -> build/lib/ase/vibrations -copying ase/vibrations/albrecht.py -> build/lib/ase/vibrations -copying ase/vibrations/placzek.py -> build/lib/ase/vibrations -copying ase/vibrations/infrared.py -> build/lib/ase/vibrations -creating build/lib/ase/io/espresso_namelist -copying ase/io/espresso_namelist/keys.py -> build/lib/ase/io/espresso_namelist -copying ase/io/espresso_namelist/namelist.py -> build/lib/ase/io/espresso_namelist -copying ase/io/espresso_namelist/__init__.py -> build/lib/ase/io/espresso_namelist -creating build/lib/ase/io/octopus -copying ase/io/octopus/__init__.py -> build/lib/ase/io/octopus -copying ase/io/octopus/input.py -> build/lib/ase/io/octopus -copying ase/io/octopus/output.py -> build/lib/ase/io/octopus -creating build/lib/ase/io/castep -copying ase/io/castep/__init__.py -> build/lib/ase/io/castep -copying ase/io/castep/castep_reader.py -> build/lib/ase/io/castep -copying ase/io/castep/castep_input_file.py -> build/lib/ase/io/castep -creating build/lib/ase/io/vasp_parsers -copying ase/io/vasp_parsers/incar_writer.py -> build/lib/ase/io/vasp_parsers -copying ase/io/vasp_parsers/vasp_outcar_parsers.py -> build/lib/ase/io/vasp_parsers -copying ase/io/vasp_parsers/__init__.py -> build/lib/ase/io/vasp_parsers -creating build/lib/ase/io/nwchem -copying ase/io/nwchem/nwreader.py -> build/lib/ase/io/nwchem -copying ase/io/nwchem/parser.py -> build/lib/ase/io/nwchem -copying ase/io/nwchem/__init__.py -> build/lib/ase/io/nwchem -copying ase/io/nwchem/nwwriter.py -> build/lib/ase/io/nwchem -copying ase/io/nwchem/nwreader_in.py -> build/lib/ase/io/nwchem -creating build/lib/ase/test/spectrum -copying ase/test/spectrum/__init__.py -> build/lib/ase/test/spectrum -copying ase/test/spectrum/test_dosdata.py -> build/lib/ase/test/spectrum -copying ase/test/spectrum/test_doscollection.py -> build/lib/ase/test/spectrum +copying ase/dft/bz.py -> build/lib/ase/dft +creating build/lib/ase/io +copying ase/io/pickletrajectory.py -> build/lib/ase/io +copying ase/io/vasp.py -> build/lib/ase/io +copying ase/io/cp2k.py -> build/lib/ase/io +copying ase/io/xtd.py -> build/lib/ase/io +copying ase/io/extxyz.py -> build/lib/ase/io +copying ase/io/findsym.py -> build/lib/ase/io +copying ase/io/ulm.py -> build/lib/ase/io +copying ase/io/wien2k.py -> build/lib/ase/io +copying ase/io/turbomole.py -> build/lib/ase/io +copying ase/io/jsonio.py -> build/lib/ase/io +copying ase/io/gpaw_out.py -> build/lib/ase/io +copying ase/io/aff.py -> build/lib/ase/io +copying ase/io/cif_unicode.py -> build/lib/ase/io +copying ase/io/png.py -> build/lib/ase/io +copying ase/io/onetep.py -> build/lib/ase/io +copying ase/io/mol.py -> build/lib/ase/io +copying ase/io/opls.py -> build/lib/ase/io +copying ase/io/gamess_us.py -> build/lib/ase/io +copying ase/io/bytes.py -> build/lib/ase/io +copying ase/io/proteindatabank.py -> build/lib/ase/io +copying ase/io/xsf.py -> build/lib/ase/io +copying ase/io/acemolecule.py -> build/lib/ase/io +copying ase/io/lammpsrun.py -> build/lib/ase/io +copying ase/io/pov.py -> build/lib/ase/io +copying ase/io/trajectory.py -> build/lib/ase/io +copying ase/io/nomad_json.py -> build/lib/ase/io +copying ase/io/dlp4.py -> build/lib/ase/io +copying ase/io/bundlemanipulate.py -> build/lib/ase/io +copying ase/io/lammpsdata.py -> build/lib/ase/io +copying ase/io/cube.py -> build/lib/ase/io +copying ase/io/cjson.py -> build/lib/ase/io +copying ase/io/db.py -> build/lib/ase/io +copying ase/io/res.py -> build/lib/ase/io +copying ase/io/siesta_input.py -> build/lib/ase/io +copying ase/io/cif.py -> build/lib/ase/io +copying ase/io/aims.py -> build/lib/ase/io +copying ase/io/cfg.py -> build/lib/ase/io +copying ase/io/eps.py -> build/lib/ase/io +copying ase/io/gen.py -> build/lib/ase/io +copying ase/io/gromos.py -> build/lib/ase/io +copying ase/io/bader.py -> build/lib/ase/io +copying ase/io/eon.py -> build/lib/ase/io +copying ase/io/gpumd.py -> build/lib/ase/io +copying ase/io/prismatic.py -> build/lib/ase/io +copying ase/io/bundletrajectory.py -> build/lib/ase/io +copying ase/io/vtkxml.py -> build/lib/ase/io +copying ase/io/sdf.py -> build/lib/ase/io +copying ase/io/xyz.py -> build/lib/ase/io +copying ase/io/siesta_output.py -> build/lib/ase/io +copying ase/io/dftb.py -> build/lib/ase/io +copying ase/io/gromacs.py -> build/lib/ase/io +copying ase/io/netcdftrajectory.py -> build/lib/ase/io +copying ase/io/jsv.py -> build/lib/ase/io +copying ase/io/zmatrix.py -> build/lib/ase/io +copying ase/io/orca.py -> build/lib/ase/io +copying ase/io/dmol.py -> build/lib/ase/io +copying ase/io/sys.py -> build/lib/ase/io +copying ase/io/exciting.py -> build/lib/ase/io +copying ase/io/animation.py -> build/lib/ase/io +copying ase/io/qbox.py -> build/lib/ase/io +copying ase/io/wannier90.py -> build/lib/ase/io +copying ase/io/magres.py -> build/lib/ase/io +copying ase/io/v_sim.py -> build/lib/ase/io +copying ase/io/abinit.py -> build/lib/ase/io +copying ase/io/rmc6f.py -> build/lib/ase/io +copying ase/io/cmdft.py -> build/lib/ase/io +copying ase/io/mustem.py -> build/lib/ase/io +copying ase/io/x3d.py -> build/lib/ase/io +copying ase/io/__init__.py -> build/lib/ase/io +copying ase/io/utils.py -> build/lib/ase/io +copying ase/io/gpw.py -> build/lib/ase/io +copying ase/io/siesta.py -> build/lib/ase/io +copying ase/io/dacapo.py -> build/lib/ase/io +copying ase/io/xsd.py -> build/lib/ase/io +copying ase/io/crystal.py -> build/lib/ase/io +copying ase/io/amber.py -> build/lib/ase/io +copying ase/io/py.py -> build/lib/ase/io +copying ase/io/espresso.py -> build/lib/ase/io +copying ase/io/gaussian.py -> build/lib/ase/io +copying ase/io/formats.py -> build/lib/ase/io +copying ase/io/elk.py -> build/lib/ase/io +creating build/lib/ase/visualize +copying ase/visualize/plot.py -> build/lib/ase/visualize +copying ase/visualize/ngl.py -> build/lib/ase/visualize +copying ase/visualize/paraview_script.py -> build/lib/ase/visualize +copying ase/visualize/sage.py -> build/lib/ase/visualize +copying ase/visualize/mlab.py -> build/lib/ase/visualize +copying ase/visualize/x3d.py -> build/lib/ase/visualize +copying ase/visualize/__init__.py -> build/lib/ase/visualize +copying ase/visualize/viewers.py -> build/lib/ase/visualize creating build/lib/ase/test/cli -copying ase/test/cli/test_dimensionality.py -> build/lib/ase/test/cli -copying ase/test/cli/test_complete.py -> build/lib/ase/test/cli -copying ase/test/cli/test_convert.py -> build/lib/ase/test/cli +copying ase/test/cli/test_run.py -> build/lib/ase/test/cli +copying ase/test/cli/test_imports.py -> build/lib/ase/test/cli copying ase/test/cli/test_info.py -> build/lib/ase/test/cli -copying ase/test/cli/test_bzplot.py -> build/lib/ase/test/cli copying ase/test/cli/test_bandstructure.py -> build/lib/ase/test/cli -copying ase/test/cli/__init__.py -> build/lib/ase/test/cli -copying ase/test/cli/test_imports.py -> build/lib/ase/test/cli copying ase/test/cli/test_diff.py -> build/lib/ase/test/cli -copying ase/test/cli/test_exec.py -> build/lib/ase/test/cli +copying ase/test/cli/test_convert.py -> build/lib/ase/test/cli +copying ase/test/cli/test_complete.py -> build/lib/ase/test/cli +copying ase/test/cli/__init__.py -> build/lib/ase/test/cli +copying ase/test/cli/test_bzplot.py -> build/lib/ase/test/cli copying ase/test/cli/test_ag.py -> build/lib/ase/test/cli -copying ase/test/cli/test_run.py -> build/lib/ase/test/cli -creating build/lib/ase/test/standardization -copying ase/test/standardization/__init__.py -> build/lib/ase/test/standardization -copying ase/test/standardization/test_properties.py -> build/lib/ase/test/standardization -creating build/lib/ase/test/atoms -copying ase/test/atoms/test_atoms_angle.py -> build/lib/ase/test/atoms -copying ase/test/atoms/test_rotate.py -> build/lib/ase/test/atoms -copying ase/test/atoms/test_atom.py -> build/lib/ase/test/atoms -copying ase/test/atoms/test_atoms_get_duplicates.py -> build/lib/ase/test/atoms -copying ase/test/atoms/test_center_nonperiodic.py -> build/lib/ase/test/atoms -copying ase/test/atoms/test_center.py -> build/lib/ase/test/atoms -copying ase/test/atoms/test_atoms.py -> build/lib/ase/test/atoms -copying ase/test/atoms/test_h2.py -> build/lib/ase/test/atoms -copying ase/test/atoms/test_rotate_euler.py -> build/lib/ase/test/atoms -copying ase/test/atoms/test_permute_axes.py -> build/lib/ase/test/atoms -copying ase/test/atoms/test_build.py -> build/lib/ase/test/atoms -copying ase/test/atoms/test_set_get_angle.py -> build/lib/ase/test/atoms -copying ase/test/atoms/test_atoms_instantiation.py -> build/lib/ase/test/atoms -copying ase/test/atoms/test_atoms_distance.py -> build/lib/ase/test/atoms -copying ase/test/atoms/__init__.py -> build/lib/ase/test/atoms -copying ase/test/atoms/test_atom_scaled_pos.py -> build/lib/ase/test/atoms -copying ase/test/atoms/test_mic.py -> build/lib/ase/test/atoms -copying ase/test/atoms/test_atoms_getitem.py -> build/lib/ase/test/atoms -copying ase/test/atoms/test_scaled_positions.py -> build/lib/ase/test/atoms -copying ase/test/atoms/test_atoms_indices.py -> build/lib/ase/test/atoms -copying ase/test/atoms/test_get_angles.py -> build/lib/ase/test/atoms -copying ase/test/atoms/test_atoms_formula.py -> build/lib/ase/test/atoms -copying ase/test/atoms/test_deprecated_get_set.py -> build/lib/ase/test/atoms -copying ase/test/atoms/test_atoms_get_positions.py -> build/lib/ase/test/atoms -copying ase/test/atoms/test_atoms_info_copy.py -> build/lib/ase/test/atoms -copying ase/test/atoms/test_compare_atoms.py -> build/lib/ase/test/atoms -copying ase/test/atoms/test_momenta_velocities.py -> build/lib/ase/test/atoms -creating build/lib/ase/test/neighbor -copying ase/test/neighbor/test_neighbor_initialization.py -> build/lib/ase/test/neighbor -copying ase/test/neighbor/__init__.py -> build/lib/ase/test/neighbor -copying ase/test/neighbor/test_neighbor.py -> build/lib/ase/test/neighbor -copying ase/test/neighbor/test_neighbor_kernel.py -> build/lib/ase/test/neighbor -creating build/lib/ase/test/spacegroup -copying ase/test/spacegroup/test_space_group_data.py -> build/lib/ase/test/spacegroup -copying ase/test/spacegroup/test_spacegroup_utils.py -> build/lib/ase/test/spacegroup -copying ase/test/spacegroup/test_spacegroup_crystal.py -> build/lib/ase/test/spacegroup -copying ase/test/spacegroup/test_minerals.py -> build/lib/ase/test/spacegroup -copying ase/test/spacegroup/test_spacegroup.py -> build/lib/ase/test/spacegroup -copying ase/test/spacegroup/__init__.py -> build/lib/ase/test/spacegroup -creating build/lib/ase/test/bravais -copying ase/test/bravais/test_2d_cell_pbc.py -> build/lib/ase/test/bravais -copying ase/test/bravais/test_line_lattice.py -> build/lib/ase/test/bravais -copying ase/test/bravais/test_eps.py -> build/lib/ase/test/bravais -copying ase/test/bravais/test_standard_form.py -> build/lib/ase/test/bravais -copying ase/test/bravais/test_bravais_type_engine.py -> build/lib/ase/test/bravais -copying ase/test/bravais/__init__.py -> build/lib/ase/test/bravais -copying ase/test/bravais/test_reduce.py -> build/lib/ase/test/bravais -copying ase/test/bravais/test_hex.py -> build/lib/ase/test/bravais -copying ase/test/bravais/test_main.py -> build/lib/ase/test/bravais -copying ase/test/bravais/test_lattices.py -> build/lib/ase/test/bravais -copying ase/test/bravais/test_orcc_mcl.py -> build/lib/ase/test/bravais +copying ase/test/cli/test_dimensionality.py -> build/lib/ase/test/cli +copying ase/test/cli/test_exec.py -> build/lib/ase/test/cli creating build/lib/ase/test/neb -copying ase/test/neb/test_interpolate_images.py -> build/lib/ase/test/neb -copying ase/test/neb/test_COCu111.py -> build/lib/ase/test/neb copying ase/test/neb/test_neb_tr.py -> build/lib/ase/test/neb -copying ase/test/neb/__init__.py -> build/lib/ase/test/neb -copying ase/test/neb/test_shared_calculator_neb.py -> build/lib/ase/test/neb -copying ase/test/neb/test_precon_neb.py -> build/lib/ase/test/neb copying ase/test/neb/test_COCu111_2.py -> build/lib/ase/test/neb +copying ase/test/neb/test_precon_neb.py -> build/lib/ase/test/neb copying ase/test/neb/test_dynamic_neb.py -> build/lib/ase/test/neb copying ase/test/neb/test_autoneb.py -> build/lib/ase/test/neb +copying ase/test/neb/test_COCu111.py -> build/lib/ase/test/neb +copying ase/test/neb/test_interpolate_images.py -> build/lib/ase/test/neb +copying ase/test/neb/__init__.py -> build/lib/ase/test/neb +copying ase/test/neb/test_shared_calculator_neb.py -> build/lib/ase/test/neb copying ase/test/neb/test_idpp.py -> build/lib/ase/test/neb -creating build/lib/ase/test/gui -copying ase/test/gui/__init__.py -> build/lib/ase/test/gui -copying ase/test/gui/test_run.py -> build/lib/ase/test/gui +creating build/lib/ase/test/emt +copying ase/test/emt/test_emt_stress.py -> build/lib/ase/test/emt +copying ase/test/emt/test_emt_h3o2m.py -> build/lib/ase/test/emt +copying ase/test/emt/test_emt2.py -> build/lib/ase/test/emt +copying ase/test/emt/test_emt.py -> build/lib/ase/test/emt +copying ase/test/emt/test_emt1.py -> build/lib/ase/test/emt +copying ase/test/emt/__init__.py -> build/lib/ase/test/emt +creating build/lib/ase/test/transport +copying ase/test/transport/__init__.py -> build/lib/ase/test/transport +copying ase/test/transport/test_transport_calculator.py -> build/lib/ase/test/transport +creating build/lib/ase/test/lammpsdata +copying ase/test/lammpsdata/conftest.py -> build/lib/ase/test/lammpsdata +copying ase/test/lammpsdata/parse_lammps_data_file.py -> build/lib/ase/test/lammpsdata +copying ase/test/lammpsdata/test_read_connectivity.py -> build/lib/ase/test/lammpsdata +copying ase/test/lammpsdata/test_write_and_read.py -> build/lib/ase/test/lammpsdata +copying ase/test/lammpsdata/test_lammpsdata_write.py -> build/lib/ase/test/lammpsdata +copying ase/test/lammpsdata/test_lammpsdata_read.py -> build/lib/ase/test/lammpsdata +copying ase/test/lammpsdata/comparison.py -> build/lib/ase/test/lammpsdata +copying ase/test/lammpsdata/__init__.py -> build/lib/ase/test/lammpsdata +creating build/lib/ase/test/md +copying ase/test/md/test_langevin_com.py -> build/lib/ase/test/md +copying ase/test/md/test_verlet_thermostats_asap.py -> build/lib/ase/test/md +copying ase/test/md/test_phonon_md_init.py -> build/lib/ase/test/md +copying ase/test/md/test_langevin_asapcompat.py -> build/lib/ase/test/md +copying ase/test/md/test_bussi.py -> build/lib/ase/test/md +copying ase/test/md/test_ce_curvature.py -> build/lib/ase/test/md +copying ase/test/md/test_maxwellboltzmann.py -> build/lib/ase/test/md +copying ase/test/md/test_md_logger_interval.py -> build/lib/ase/test/md +copying ase/test/md/test_md.py -> build/lib/ase/test/md +copying ase/test/md/test_rng.py -> build/lib/ase/test/md +copying ase/test/md/test_langevin_switching.py -> build/lib/ase/test/md +copying ase/test/md/test_ce_potentiostat.py -> build/lib/ase/test/md +copying ase/test/md/test_CO2linear_Au111_langevin.py -> build/lib/ase/test/md +copying ase/test/md/test_velocity_distribution.py -> build/lib/ase/test/md +copying ase/test/md/test_nose_hoover_chain.py -> build/lib/ase/test/md +copying ase/test/md/test_md_logger.py -> build/lib/ase/test/md +copying ase/test/md/test_nvt_npt.py -> build/lib/ase/test/md +copying ase/test/md/test_ce_logging.py -> build/lib/ase/test/md +copying ase/test/md/__init__.py -> build/lib/ase/test/md +copying ase/test/md/test_idealgas.py -> build/lib/ase/test/md +copying ase/test/md/test_fixrotation.py -> build/lib/ase/test/md +creating build/lib/ase/test/forcefields +copying ase/test/forcefields/test_qmmm.py -> build/lib/ase/test/forcefields +copying ase/test/forcefields/test_utils_ff_vdw.py -> build/lib/ase/test/forcefields +copying ase/test/forcefields/test_tipnp.py -> build/lib/ase/test/forcefields +copying ase/test/forcefields/test_tip4p.py -> build/lib/ase/test/forcefields +copying ase/test/forcefields/test_forceqmmm.py -> build/lib/ase/test/forcefields +copying ase/test/forcefields/test_counterions.py -> build/lib/ase/test/forcefields +copying ase/test/forcefields/test_rattle.py -> build/lib/ase/test/forcefields +copying ase/test/forcefields/test_rattle_linear.py -> build/lib/ase/test/forcefields +copying ase/test/forcefields/test_combine_mm.py -> build/lib/ase/test/forcefields +copying ase/test/forcefields/test_aic.py -> build/lib/ase/test/forcefields +copying ase/test/forcefields/test_acn.py -> build/lib/ase/test/forcefields +copying ase/test/forcefields/__init__.py -> build/lib/ase/test/forcefields +copying ase/test/forcefields/test_qmmm_acn.py -> build/lib/ase/test/forcefields +copying ase/test/forcefields/test_combine_mm2.py -> build/lib/ase/test/forcefields creating build/lib/ase/test/optimize -copying ase/test/optimize/test_fire.py -> build/lib/ase/test/optimize -copying ase/test/optimize/test_bad_restart.py -> build/lib/ase/test/optimize -copying ase/test/optimize/test_optimizer_restart.py -> build/lib/ase/test/optimize copying ase/test/optimize/test_fire2.py -> build/lib/ase/test/optimize -copying ase/test/optimize/__init__.py -> build/lib/ase/test/optimize +copying ase/test/optimize/test_maxstep.py -> build/lib/ase/test/optimize +copying ase/test/optimize/test_cellawarebfgs.py -> build/lib/ase/test/optimize +copying ase/test/optimize/test_replay.py -> build/lib/ase/test/optimize +copying ase/test/optimize/test_optimizer_restart.py -> build/lib/ase/test/optimize copying ase/test/optimize/test_optimizers.py -> build/lib/ase/test/optimize +copying ase/test/optimize/test_optimize_stepwise.py -> build/lib/ase/test/optimize copying ase/test/optimize/test_nsteps.py -> build/lib/ase/test/optimize -copying ase/test/optimize/test_replay.py -> build/lib/ase/test/optimize +copying ase/test/optimize/test_bad_restart.py -> build/lib/ase/test/optimize +copying ase/test/optimize/test_fire.py -> build/lib/ase/test/optimize copying ase/test/optimize/test_minimahop.py -> build/lib/ase/test/optimize -copying ase/test/optimize/test_maxstep.py -> build/lib/ase/test/optimize -copying ase/test/optimize/test_optimize_stepwise.py -> build/lib/ase/test/optimize copying ase/test/optimize/test_climb_fix_internals.py -> build/lib/ase/test/optimize -copying ase/test/optimize/test_cellawarebfgs.py -> build/lib/ase/test/optimize -creating build/lib/ase/test/emt -copying ase/test/emt/test_emt_h3o2m.py -> build/lib/ase/test/emt -copying ase/test/emt/test_emt1.py -> build/lib/ase/test/emt -copying ase/test/emt/__init__.py -> build/lib/ase/test/emt -copying ase/test/emt/test_emt_stress.py -> build/lib/ase/test/emt -copying ase/test/emt/test_emt.py -> build/lib/ase/test/emt -copying ase/test/emt/test_emt2.py -> build/lib/ase/test/emt +copying ase/test/optimize/__init__.py -> build/lib/ase/test/optimize +creating build/lib/ase/test/neighbor +copying ase/test/neighbor/test_neighbor_initialization.py -> build/lib/ase/test/neighbor +copying ase/test/neighbor/test_neighbor_kernel.py -> build/lib/ase/test/neighbor +copying ase/test/neighbor/test_neighbor.py -> build/lib/ase/test/neighbor +copying ase/test/neighbor/__init__.py -> build/lib/ase/test/neighbor +creating build/lib/ase/test/vibrations +copying ase/test/vibrations/test_combine.py -> build/lib/ase/test/vibrations +copying ase/test/vibrations/test_vib.py -> build/lib/ase/test/vibrations +copying ase/test/vibrations/test_profeta_albrecht.py -> build/lib/ase/test/vibrations +copying ase/test/vibrations/test_franck_condon.py -> build/lib/ase/test/vibrations +copying ase/test/vibrations/test_pickle2json.py -> build/lib/ase/test/vibrations +copying ase/test/vibrations/test_vibrations_example.py -> build/lib/ase/test/vibrations +copying ase/test/vibrations/test_albrecht.py -> build/lib/ase/test/vibrations +copying ase/test/vibrations/test_placzek.py -> build/lib/ase/test/vibrations +copying ase/test/vibrations/__init__.py -> build/lib/ase/test/vibrations +copying ase/test/vibrations/test_bond_polarizability_raman.py -> build/lib/ase/test/vibrations +copying ase/test/vibrations/test_folding.py -> build/lib/ase/test/vibrations creating build/lib/ase/test/constraints -copying ase/test/constraints/test_fixbondlength_CO2_Au111.py -> build/lib/ase/test/constraints +copying ase/test/constraints/test_CO2linear_Au111.py -> build/lib/ase/test/constraints +copying ase/test/constraints/test_mirror.py -> build/lib/ase/test/constraints +copying ase/test/constraints/test_hookean_pbc.py -> build/lib/ase/test/constraints +copying ase/test/constraints/test_fix_symmetry.py -> build/lib/ase/test/constraints +copying ase/test/constraints/test_hookean.py -> build/lib/ase/test/constraints +copying ase/test/constraints/test_fixedmode.py -> build/lib/ase/test/constraints copying ase/test/constraints/test_getindices.py -> build/lib/ase/test/constraints -copying ase/test/constraints/test_fixcom.py -> build/lib/ase/test/constraints +copying ase/test/constraints/test_fixinternals.py -> build/lib/ase/test/constraints copying ase/test/constraints/test_external_force.py -> build/lib/ase/test/constraints +copying ase/test/constraints/test_fixsubsetcom.py -> build/lib/ase/test/constraints copying ase/test/constraints/test_setpos.py -> build/lib/ase/test/constraints -copying ase/test/constraints/test_hookean.py -> build/lib/ase/test/constraints -copying ase/test/constraints/test_fixedline_fixedplane.py -> build/lib/ase/test/constraints +copying ase/test/constraints/test_fixcartesian.py -> build/lib/ase/test/constraints +copying ase/test/constraints/test_fixatoms.py -> build/lib/ase/test/constraints +copying ase/test/constraints/test_fixcom.py -> build/lib/ase/test/constraints +copying ase/test/constraints/test_fixbonds.py -> build/lib/ase/test/constraints +copying ase/test/constraints/test_fix_bond_length_mic.py -> build/lib/ase/test/constraints +copying ase/test/constraints/test_fixbondlength_CO2_Au111.py -> build/lib/ase/test/constraints +copying ase/test/constraints/__init__.py -> build/lib/ase/test/constraints copying ase/test/constraints/test_fixscaled.py -> build/lib/ase/test/constraints -copying ase/test/constraints/test_repeat_FixAtoms.py -> build/lib/ase/test/constraints -copying ase/test/constraints/test_hookean_pbc.py -> build/lib/ase/test/constraints +copying ase/test/constraints/test_fixedline_fixedplane.py -> build/lib/ase/test/constraints copying ase/test/constraints/test_negativeindex.py -> build/lib/ase/test/constraints -copying ase/test/constraints/__init__.py -> build/lib/ase/test/constraints -copying ase/test/constraints/test_fix_symmetry.py -> build/lib/ase/test/constraints -copying ase/test/constraints/test_fixsubsetcom.py -> build/lib/ase/test/constraints copying ase/test/constraints/test_parameteric_constr.py -> build/lib/ase/test/constraints -copying ase/test/constraints/test_fixbonds.py -> build/lib/ase/test/constraints -copying ase/test/constraints/test_mirror.py -> build/lib/ase/test/constraints -copying ase/test/constraints/test_CO2linear_Au111.py -> build/lib/ase/test/constraints -copying ase/test/constraints/test_fixedmode.py -> build/lib/ase/test/constraints -copying ase/test/constraints/test_fix_bond_length_mic.py -> build/lib/ase/test/constraints -copying ase/test/constraints/test_fixatoms.py -> build/lib/ase/test/constraints -copying ase/test/constraints/test_fixinternals.py -> build/lib/ase/test/constraints -copying ase/test/constraints/test_fixcartesian.py -> build/lib/ase/test/constraints +copying ase/test/constraints/test_repeat_FixAtoms.py -> build/lib/ase/test/constraints +creating build/lib/ase/test/gui +copying ase/test/gui/test_run.py -> build/lib/ase/test/gui +copying ase/test/gui/__init__.py -> build/lib/ase/test/gui +creating build/lib/ase/test/standardization +copying ase/test/standardization/test_properties.py -> build/lib/ase/test/standardization +copying ase/test/standardization/__init__.py -> build/lib/ase/test/standardization +creating build/lib/ase/test/spacegroup +copying ase/test/spacegroup/test_space_group_data.py -> build/lib/ase/test/spacegroup +copying ase/test/spacegroup/test_spacegroup_crystal.py -> build/lib/ase/test/spacegroup +copying ase/test/spacegroup/test_minerals.py -> build/lib/ase/test/spacegroup +copying ase/test/spacegroup/test_spacegroup_utils.py -> build/lib/ase/test/spacegroup +copying ase/test/spacegroup/__init__.py -> build/lib/ase/test/spacegroup +copying ase/test/spacegroup/test_spacegroup.py -> build/lib/ase/test/spacegroup +creating build/lib/ase/test/bandstructure +copying ase/test/bandstructure/test_bandstructure_transform_mcl.py -> build/lib/ase/test/bandstructure +copying ase/test/bandstructure/test_bandstructure.py -> build/lib/ase/test/bandstructure +copying ase/test/bandstructure/test_bandstructure_many.py -> build/lib/ase/test/bandstructure +copying ase/test/bandstructure/test_bandstructure_json.py -> build/lib/ase/test/bandstructure +copying ase/test/bandstructure/test_bandpath.py -> build/lib/ase/test/bandstructure +copying ase/test/bandstructure/__init__.py -> build/lib/ase/test/bandstructure +copying ase/test/bandstructure/test_resolve_custom_kpoints.py -> build/lib/ase/test/bandstructure +creating build/lib/ase/test/atoms +copying ase/test/atoms/test_atoms_angle.py -> build/lib/ase/test/atoms +copying ase/test/atoms/test_deprecated_get_set.py -> build/lib/ase/test/atoms +copying ase/test/atoms/test_atoms_instantiation.py -> build/lib/ase/test/atoms +copying ase/test/atoms/test_atoms_get_positions.py -> build/lib/ase/test/atoms +copying ase/test/atoms/test_atoms.py -> build/lib/ase/test/atoms +copying ase/test/atoms/test_rotate.py -> build/lib/ase/test/atoms +copying ase/test/atoms/test_atoms_indices.py -> build/lib/ase/test/atoms +copying ase/test/atoms/test_center.py -> build/lib/ase/test/atoms +copying ase/test/atoms/test_center_nonperiodic.py -> build/lib/ase/test/atoms +copying ase/test/atoms/test_permute_axes.py -> build/lib/ase/test/atoms +copying ase/test/atoms/test_set_get_angle.py -> build/lib/ase/test/atoms +copying ase/test/atoms/test_scaled_positions.py -> build/lib/ase/test/atoms +copying ase/test/atoms/test_atom.py -> build/lib/ase/test/atoms +copying ase/test/atoms/test_atoms_info_copy.py -> build/lib/ase/test/atoms +copying ase/test/atoms/test_h2.py -> build/lib/ase/test/atoms +copying ase/test/atoms/test_build.py -> build/lib/ase/test/atoms +copying ase/test/atoms/test_atoms_getitem.py -> build/lib/ase/test/atoms +copying ase/test/atoms/test_mic.py -> build/lib/ase/test/atoms +copying ase/test/atoms/test_atoms_distance.py -> build/lib/ase/test/atoms +copying ase/test/atoms/test_momenta_velocities.py -> build/lib/ase/test/atoms +copying ase/test/atoms/__init__.py -> build/lib/ase/test/atoms +copying ase/test/atoms/test_rotate_euler.py -> build/lib/ase/test/atoms +copying ase/test/atoms/test_atom_scaled_pos.py -> build/lib/ase/test/atoms +copying ase/test/atoms/test_get_angles.py -> build/lib/ase/test/atoms +copying ase/test/atoms/test_compare_atoms.py -> build/lib/ase/test/atoms +copying ase/test/atoms/test_atoms_formula.py -> build/lib/ase/test/atoms +copying ase/test/atoms/test_atoms_get_duplicates.py -> build/lib/ase/test/atoms +creating build/lib/ase/test/spectrum +copying ase/test/spectrum/test_doscollection.py -> build/lib/ase/test/spectrum +copying ase/test/spectrum/test_dosdata.py -> build/lib/ase/test/spectrum +copying ase/test/spectrum/__init__.py -> build/lib/ase/test/spectrum +creating build/lib/ase/test/filter +copying ase/test/filter/test_strain_emt.py -> build/lib/ase/test/filter +copying ase/test/filter/test_strain.py -> build/lib/ase/test/filter +copying ase/test/filter/test_filter.py -> build/lib/ase/test/filter +copying ase/test/filter/test_cellfilter.py -> build/lib/ase/test/filter +copying ase/test/filter/__init__.py -> build/lib/ase/test/filter creating build/lib/ase/test/fio -copying ase/test/fio/test_pdb_cell_io.py -> build/lib/ase/test/fio -copying ase/test/fio/test_external_io_formats.py -> build/lib/ase/test/fio -copying ase/test/fio/test_magmom.py -> build/lib/ase/test/fio +copying ase/test/fio/test_eon_readwrite.py -> build/lib/ase/test/fio +copying ase/test/fio/test_readwrite_errors.py -> build/lib/ase/test/fio +copying ase/test/fio/conftest.py -> build/lib/ase/test/fio +copying ase/test/fio/test_sdf.py -> build/lib/ase/test/fio copying ase/test/fio/test_siesta.py -> build/lib/ase/test/fio -copying ase/test/fio/test_compression.py -> build/lib/ase/test/fio +copying ase/test/fio/test_rmc6f.py -> build/lib/ase/test/fio +copying ase/test/fio/test_jsonio.py -> build/lib/ase/test/fio +copying ase/test/fio/test_py.py -> build/lib/ase/test/fio +copying ase/test/fio/test_pdb_extra.py -> build/lib/ase/test/fio +copying ase/test/fio/test_eon_multi_image_read.py -> build/lib/ase/test/fio +copying ase/test/fio/test_cube.py -> build/lib/ase/test/fio +copying ase/test/fio/test_info.py -> build/lib/ase/test/fio +copying ase/test/fio/test_espresso.py -> build/lib/ase/test/fio +copying ase/test/fio/test_dmol.py -> build/lib/ase/test/fio +copying ase/test/fio/test_nwchem.py -> build/lib/ase/test/fio +copying ase/test/fio/test_parallel.py -> build/lib/ase/test/fio +copying ase/test/fio/test_res.py -> build/lib/ase/test/fio +copying ase/test/fio/test_wout.py -> build/lib/ase/test/fio +copying ase/test/fio/test_pdb_cell_io.py -> build/lib/ase/test/fio +copying ase/test/fio/test_cifblock.py -> build/lib/ase/test/fio +copying ase/test/fio/test_dlp.py -> build/lib/ase/test/fio +copying ase/test/fio/test_ioformats.py -> build/lib/ase/test/fio +copying ase/test/fio/test_netcdftrajectory.py -> build/lib/ase/test/fio +copying ase/test/fio/test_extxyz.py -> build/lib/ase/test/fio +copying ase/test/fio/test_gaussian_out.py -> build/lib/ase/test/fio +copying ase/test/fio/test_v_sim.py -> build/lib/ase/test/fio copying ase/test/fio/test_fileobj.py -> build/lib/ase/test/fio +copying ase/test/fio/test_abinit.py -> build/lib/ase/test/fio +copying ase/test/fio/test_json_arrays.py -> build/lib/ase/test/fio copying ase/test/fio/test_xsd_bond.py -> build/lib/ase/test/fio -copying ase/test/fio/test_onetep.py -> build/lib/ase/test/fio +copying ase/test/fio/test_xsf_spec.py -> build/lib/ase/test/fio copying ase/test/fio/test_opls.py -> build/lib/ase/test/fio -copying ase/test/fio/test_rmc6f.py -> build/lib/ase/test/fio -copying ase/test/fio/test_cif.py -> build/lib/ase/test/fio -copying ase/test/fio/test_povray.py -> build/lib/ase/test/fio -copying ase/test/fio/test_ulm.py -> build/lib/ase/test/fio -copying ase/test/fio/test_trajectory.py -> build/lib/ase/test/fio -copying ase/test/fio/test_cjson.py -> build/lib/ase/test/fio -copying ase/test/fio/test_ace.py -> build/lib/ase/test/fio -copying ase/test/fio/test_gaussian_gjf_input.py -> build/lib/ase/test/fio copying ase/test/fio/test_espresso_ph.py -> build/lib/ase/test/fio -copying ase/test/fio/test_readwrite_errors.py -> build/lib/ase/test/fio -copying ase/test/fio/test_res.py -> build/lib/ase/test/fio -copying ase/test/fio/test_info.py -> build/lib/ase/test/fio -copying ase/test/fio/test_parallel.py -> build/lib/ase/test/fio -copying ase/test/fio/conftest.py -> build/lib/ase/test/fio -copying ase/test/fio/test_dftb.py -> build/lib/ase/test/fio -copying ase/test/fio/test_dmol.py -> build/lib/ase/test/fio -copying ase/test/fio/test_vasp_structure.py -> build/lib/ase/test/fio -copying ase/test/fio/test_eon_multi_image_read.py -> build/lib/ase/test/fio -copying ase/test/fio/test_xyz.py -> build/lib/ase/test/fio -copying ase/test/fio/test_nomad.py -> build/lib/ase/test/fio +copying ase/test/fio/test_qbox.py -> build/lib/ase/test/fio +copying ase/test/fio/test_oldtraj.py -> build/lib/ase/test/fio +copying ase/test/fio/test_ulm_dummy.py -> build/lib/ase/test/fio copying ase/test/fio/test_castep.py -> build/lib/ase/test/fio -copying ase/test/fio/test_eon_readwrite.py -> build/lib/ase/test/fio -copying ase/test/fio/test_cube.py -> build/lib/ase/test/fio -copying ase/test/fio/test_jsonio.py -> build/lib/ase/test/fio copying ase/test/fio/test_traj_bytesio.py -> build/lib/ase/test/fio -copying ase/test/fio/test_espresso.py -> build/lib/ase/test/fio copying ase/test/fio/test_proteindatabank.py -> build/lib/ase/test/fio -copying ase/test/fio/test_gen.py -> build/lib/ase/test/fio copying ase/test/fio/test_prismatic.py -> build/lib/ase/test/fio -copying ase/test/fio/test_cfg.py -> build/lib/ase/test/fio -copying ase/test/fio/test_json_arrays.py -> build/lib/ase/test/fio -copying ase/test/fio/test_ulm_dummy.py -> build/lib/ase/test/fio -copying ase/test/fio/test_nwchem.py -> build/lib/ase/test/fio -copying ase/test/fio/test_jsonio_atoms.py -> build/lib/ase/test/fio -copying ase/test/fio/test_trajectory_heterogeneous.py -> build/lib/ase/test/fio -copying ase/test/fio/test_amber.py -> build/lib/ase/test/fio -copying ase/test/fio/test_turbomole.py -> build/lib/ase/test/fio -copying ase/test/fio/__init__.py -> build/lib/ase/test/fio -copying ase/test/fio/test_v_sim.py -> build/lib/ase/test/fio +copying ase/test/fio/test_dftb.py -> build/lib/ase/test/fio copying ase/test/fio/test_orca.py -> build/lib/ase/test/fio -copying ase/test/fio/test_animate.py -> build/lib/ase/test/fio -copying ase/test/fio/test_match_magic.py -> build/lib/ase/test/fio -copying ase/test/fio/test_magres.py -> build/lib/ase/test/fio -copying ase/test/fio/test_gaussian_out.py -> build/lib/ase/test/fio -copying ase/test/fio/test_extxyz.py -> build/lib/ase/test/fio -copying ase/test/fio/test_pycodcif_read.py -> build/lib/ase/test/fio +copying ase/test/fio/test_vasp_structure.py -> build/lib/ase/test/fio copying ase/test/fio/test_elk.py -> build/lib/ase/test/fio -copying ase/test/fio/test_py.py -> build/lib/ase/test/fio -copying ase/test/fio/test_qbox.py -> build/lib/ase/test/fio -copying ase/test/fio/test_iread_path.py -> build/lib/ase/test/fio -copying ase/test/fio/test_oldtraj.py -> build/lib/ase/test/fio -copying ase/test/fio/test_lammpsdump.py -> build/lib/ase/test/fio -copying ase/test/fio/test_ioformats.py -> build/lib/ase/test/fio -copying ase/test/fio/test_dlp.py -> build/lib/ase/test/fio -copying ase/test/fio/test_bundletrajectory.py -> build/lib/ase/test/fio -copying ase/test/fio/test_pickle_bundle_trajectory.py -> build/lib/ase/test/fio -copying ase/test/fio/test_wout.py -> build/lib/ase/test/fio -copying ase/test/fio/test_atoms_bytes.py -> build/lib/ase/test/fio -copying ase/test/fio/test_sdf.py -> build/lib/ase/test/fio -copying ase/test/fio/test_xsf_spec.py -> build/lib/ase/test/fio +copying ase/test/fio/test_gaussian.py -> build/lib/ase/test/fio +copying ase/test/fio/test_magmom.py -> build/lib/ase/test/fio copying ase/test/fio/test_gpaw.py -> build/lib/ase/test/fio -copying ase/test/fio/test_pdb_extra.py -> build/lib/ase/test/fio +copying ase/test/fio/test_compression.py -> build/lib/ase/test/fio +copying ase/test/fio/test_oi.py -> build/lib/ase/test/fio copying ase/test/fio/test_openmx.py -> build/lib/ase/test/fio -copying ase/test/fio/test_abinit.py -> build/lib/ase/test/fio -copying ase/test/fio/test_cifblock.py -> build/lib/ase/test/fio -copying ase/test/fio/test_gpumd.py -> build/lib/ase/test/fio -copying ase/test/fio/test_netcdftrajectory.py -> build/lib/ase/test/fio +copying ase/test/fio/test_xyz.py -> build/lib/ase/test/fio +copying ase/test/fio/test_lammpsdump.py -> build/lib/ase/test/fio +copying ase/test/fio/test_ulm.py -> build/lib/ase/test/fio +copying ase/test/fio/test_animate.py -> build/lib/ase/test/fio +copying ase/test/fio/test_trajectory.py -> build/lib/ase/test/fio +copying ase/test/fio/test_povray.py -> build/lib/ase/test/fio +copying ase/test/fio/test_external_io_formats.py -> build/lib/ase/test/fio copying ase/test/fio/test_mustem.py -> build/lib/ase/test/fio -copying ase/test/fio/test_oi.py -> build/lib/ase/test/fio -copying ase/test/fio/test_gaussian.py -> build/lib/ase/test/fio +copying ase/test/fio/test_cif.py -> build/lib/ase/test/fio +copying ase/test/fio/test_gaussian_gjf_input.py -> build/lib/ase/test/fio +copying ase/test/fio/test_jsonio_atoms.py -> build/lib/ase/test/fio +copying ase/test/fio/test_ace.py -> build/lib/ase/test/fio +copying ase/test/fio/test_pickle_bundle_trajectory.py -> build/lib/ase/test/fio +copying ase/test/fio/test_magres.py -> build/lib/ase/test/fio +copying ase/test/fio/test_amber.py -> build/lib/ase/test/fio +copying ase/test/fio/__init__.py -> build/lib/ase/test/fio +copying ase/test/fio/test_trajectory_heterogeneous.py -> build/lib/ase/test/fio +copying ase/test/fio/test_iread_path.py -> build/lib/ase/test/fio +copying ase/test/fio/test_match_magic.py -> build/lib/ase/test/fio +copying ase/test/fio/test_bundletrajectory.py -> build/lib/ase/test/fio copying ase/test/fio/test_formats.py -> build/lib/ase/test/fio +copying ase/test/fio/test_gen.py -> build/lib/ase/test/fio +copying ase/test/fio/test_nomad.py -> build/lib/ase/test/fio +copying ase/test/fio/test_gpumd.py -> build/lib/ase/test/fio +copying ase/test/fio/test_atoms_bytes.py -> build/lib/ase/test/fio +copying ase/test/fio/test_onetep.py -> build/lib/ase/test/fio +copying ase/test/fio/test_cjson.py -> build/lib/ase/test/fio +copying ase/test/fio/test_cfg.py -> build/lib/ase/test/fio +copying ase/test/fio/test_turbomole.py -> build/lib/ase/test/fio +copying ase/test/fio/test_pycodcif_read.py -> build/lib/ase/test/fio +creating build/lib/ase/test/calculator +copying ase/test/calculator/test_h2morse.py -> build/lib/ase/test/calculator +copying ase/test/calculator/conftest.py -> build/lib/ase/test/calculator +copying ase/test/calculator/test_harmonic.py -> build/lib/ase/test/calculator +copying ase/test/calculator/test_gulp_opt.py -> build/lib/ase/test/calculator +copying ase/test/calculator/test_traj.py -> build/lib/ase/test/calculator +copying ase/test/calculator/test_bond_polarizability.py -> build/lib/ase/test/calculator +copying ase/test/calculator/test_eam.py -> build/lib/ase/test/calculator +copying ase/test/calculator/test_command.py -> build/lib/ase/test/calculator +copying ase/test/calculator/test_al.py -> build/lib/ase/test/calculator +copying ase/test/calculator/test_mopac.py -> build/lib/ase/test/calculator +copying ase/test/calculator/test_calculator.py -> build/lib/ase/test/calculator +copying ase/test/calculator/test_si_stress.py -> build/lib/ase/test/calculator +copying ase/test/calculator/test_orca.py -> build/lib/ase/test/calculator +copying ase/test/calculator/test_subprocess_calculator.py -> build/lib/ase/test/calculator +copying ase/test/calculator/test_polarizability.py -> build/lib/ase/test/calculator +copying ase/test/calculator/test_orca_qmmm.py -> build/lib/ase/test/calculator +copying ase/test/calculator/test_h2.py -> build/lib/ase/test/calculator +copying ase/test/calculator/test_lj.py -> build/lib/ase/test/calculator +copying ase/test/calculator/test_ch4_energy.py -> build/lib/ase/test/calculator +copying ase/test/calculator/test_gulp.py -> build/lib/ase/test/calculator +copying ase/test/calculator/test_fd.py -> build/lib/ase/test/calculator +copying ase/test/calculator/test_ts09.py -> build/lib/ase/test/calculator +copying ase/test/calculator/test_mopac_version.py -> build/lib/ase/test/calculator +copying ase/test/calculator/__init__.py -> build/lib/ase/test/calculator +copying ase/test/calculator/test_eam_run.py -> build/lib/ase/test/calculator +copying ase/test/calculator/test_morse.py -> build/lib/ase/test/calculator +copying ase/test/calculator/test_h2_bond_force.py -> build/lib/ase/test/calculator +copying ase/test/calculator/test_dftd3.py -> build/lib/ase/test/calculator +creating build/lib/ase/test/precon +copying ase/test/precon/test_lbfgs.py -> build/lib/ase/test/precon +copying ase/test/precon/test_amin.py -> build/lib/ase/test/precon +copying ase/test/precon/test_unitcellfilter.py -> build/lib/ase/test/precon +copying ase/test/precon/test_smallcell.py -> build/lib/ase/test/precon +copying ase/test/precon/test_precon_assembly.py -> build/lib/ase/test/precon +copying ase/test/precon/__init__.py -> build/lib/ase/test/precon +copying ase/test/precon/test_ff_and_precon_c60.py -> build/lib/ase/test/precon +creating build/lib/ase/test/db +copying ase/test/db/test_mysql.py -> build/lib/ase/test/db +copying ase/test/db/conftest.py -> build/lib/ase/test/db +copying ase/test/db/test_cli.py -> build/lib/ase/test/db +copying ase/test/db/test_row.py -> build/lib/ase/test/db +copying ase/test/db/test_sqlite.py -> build/lib/ase/test/db +copying ase/test/db/test_db_web.py -> build/lib/ase/test/db +copying ase/test/db/test_db.py -> build/lib/ase/test/db +copying ase/test/db/test_metadata.py -> build/lib/ase/test/db +copying ase/test/db/test_db2.py -> build/lib/ase/test/db +copying ase/test/db/test_jsondb.py -> build/lib/ase/test/db +copying ase/test/db/test_table.py -> build/lib/ase/test/db +copying ase/test/db/__init__.py -> build/lib/ase/test/db +copying ase/test/db/test_sql_db_ext_tables.py -> build/lib/ase/test/db +copying ase/test/db/test_o2b2o.py -> build/lib/ase/test/db +copying ase/test/db/test_update.py -> build/lib/ase/test/db creating build/lib/ase/test/geometry -copying ase/test/geometry/test_dimensionality.py -> build/lib/ase/test/geometry -copying ase/test/geometry/test_geometry_rdf.py -> build/lib/ase/test/geometry copying ase/test/geometry/test_analysis.py -> build/lib/ase/test/geometry copying ase/test/geometry/test_geometry.py -> build/lib/ase/test/geometry -copying ase/test/geometry/__init__.py -> build/lib/ase/test/geometry copying ase/test/geometry/test_distance.py -> build/lib/ase/test/geometry +copying ase/test/geometry/test_geometry_rdf.py -> build/lib/ase/test/geometry copying ase/test/geometry/test_geometry_derivatives.py -> build/lib/ase/test/geometry +copying ase/test/geometry/__init__.py -> build/lib/ase/test/geometry +copying ase/test/geometry/test_dimensionality.py -> build/lib/ase/test/geometry +creating build/lib/ase/test/cell +copying ase/test/cell/test_cell.py -> build/lib/ase/test/cell +copying ase/test/cell/test_cell_completion.py -> build/lib/ase/test/cell +copying ase/test/cell/test_niggli_op.py -> build/lib/ase/test/cell +copying ase/test/cell/test_niggli_ndim.py -> build/lib/ase/test/cell +copying ase/test/cell/test_cell_conv.py -> build/lib/ase/test/cell +copying ase/test/cell/test_cell_uncompletion.py -> build/lib/ase/test/cell +copying ase/test/cell/test_niggli.py -> build/lib/ase/test/cell +copying ase/test/cell/__init__.py -> build/lib/ase/test/cell +copying ase/test/cell/test_supercell.py -> build/lib/ase/test/cell +copying ase/test/cell/test_conventional_map.py -> build/lib/ase/test/cell +copying ase/test/cell/test_standard_form.py -> build/lib/ase/test/cell +copying ase/test/cell/test_minkowski_reduce.py -> build/lib/ase/test/cell creating build/lib/ase/test/ga -copying ase/test/ga/test_film_operators.py -> build/lib/ase/test/ga copying ase/test/ga/test_particle_operators.py -> build/lib/ase/test/ga -copying ase/test/ga/test_cutandsplicepairing.py -> build/lib/ase/test/ga copying ase/test/ga/test_particle_comparators.py -> build/lib/ase/test/ga -copying ase/test/ga/test_slab_operators.py -> build/lib/ase/test/ga -copying ase/test/ga/test_element_operators.py -> build/lib/ase/test/ga copying ase/test/ga/test_mutations.py -> build/lib/ase/test/ga copying ase/test/ga/test_bulk_operators.py -> build/lib/ase/test/ga -copying ase/test/ga/test_chain_operators.py -> build/lib/ase/test/ga +copying ase/test/ga/test_standardcomparator.py -> build/lib/ase/test/ga +copying ase/test/ga/test_film_operators.py -> build/lib/ase/test/ga +copying ase/test/ga/test_add_candidates.py -> build/lib/ase/test/ga copying ase/test/ga/test_particle_mutations.py -> build/lib/ase/test/ga -copying ase/test/ga/test_basic_example_main_run.py -> build/lib/ase/test/ga -copying ase/test/ga/__init__.py -> build/lib/ase/test/ga +copying ase/test/ga/test_element_operators.py -> build/lib/ase/test/ga copying ase/test/ga/test_database_logic.py -> build/lib/ase/test/ga copying ase/test/ga/test_create_database.py -> build/lib/ase/test/ga -copying ase/test/ga/test_add_candidates.py -> build/lib/ase/test/ga -copying ase/test/ga/test_standardcomparator.py -> build/lib/ase/test/ga -creating build/lib/ase/test/filter -copying ase/test/filter/test_filter.py -> build/lib/ase/test/filter -copying ase/test/filter/test_cellfilter.py -> build/lib/ase/test/filter -copying ase/test/filter/test_strain.py -> build/lib/ase/test/filter -copying ase/test/filter/__init__.py -> build/lib/ase/test/filter -copying ase/test/filter/test_strain_emt.py -> build/lib/ase/test/filter -creating build/lib/ase/test/precon -copying ase/test/precon/test_smallcell.py -> build/lib/ase/test/precon -copying ase/test/precon/test_lbfgs.py -> build/lib/ase/test/precon -copying ase/test/precon/test_precon_assembly.py -> build/lib/ase/test/precon -copying ase/test/precon/__init__.py -> build/lib/ase/test/precon -copying ase/test/precon/test_ff_and_precon_c60.py -> build/lib/ase/test/precon -copying ase/test/precon/test_unitcellfilter.py -> build/lib/ase/test/precon -copying ase/test/precon/test_amin.py -> build/lib/ase/test/precon -creating build/lib/ase/test/build_ -copying ase/test/build_/test_build_bulk.py -> build/lib/ase/test/build_ -copying ase/test/build_/test_surface_stack.py -> build/lib/ase/test/build_ -copying ase/test/build_/test_connected.py -> build/lib/ase/test/build_ -copying ase/test/build_/test_minimize_rotation_and_translation.py -> build/lib/ase/test/build_ -copying ase/test/build_/test_bulk.py -> build/lib/ase/test/build_ -copying ase/test/build_/__init__.py -> build/lib/ase/test/build_ -copying ase/test/build_/test_surface_terminations.py -> build/lib/ase/test/build_ -copying ase/test/build_/test_supercells.py -> build/lib/ase/test/build_ -copying ase/test/build_/test_attach.py -> build/lib/ase/test/build_ -copying ase/test/build_/test_surface.py -> build/lib/ase/test/build_ -creating build/lib/ase/test/md -copying ase/test/md/test_velocity_distribution.py -> build/lib/ase/test/md -copying ase/test/md/test_langevin_asapcompat.py -> build/lib/ase/test/md -copying ase/test/md/test_bussi.py -> build/lib/ase/test/md -copying ase/test/md/test_fixrotation.py -> build/lib/ase/test/md -copying ase/test/md/test_phonon_md_init.py -> build/lib/ase/test/md -copying ase/test/md/test_nose_hoover_chain.py -> build/lib/ase/test/md -copying ase/test/md/test_CO2linear_Au111_langevin.py -> build/lib/ase/test/md -copying ase/test/md/test_verlet_thermostats_asap.py -> build/lib/ase/test/md -copying ase/test/md/test_nvt_npt.py -> build/lib/ase/test/md -copying ase/test/md/test_maxwellboltzmann.py -> build/lib/ase/test/md -copying ase/test/md/__init__.py -> build/lib/ase/test/md -copying ase/test/md/test_langevin_switching.py -> build/lib/ase/test/md -copying ase/test/md/test_ce_potentiostat.py -> build/lib/ase/test/md -copying ase/test/md/test_langevin_com.py -> build/lib/ase/test/md -copying ase/test/md/test_ce_curvature.py -> build/lib/ase/test/md -copying ase/test/md/test_idealgas.py -> build/lib/ase/test/md -copying ase/test/md/test_rng.py -> build/lib/ase/test/md -copying ase/test/md/test_md.py -> build/lib/ase/test/md -copying ase/test/md/test_md_logger.py -> build/lib/ase/test/md -copying ase/test/md/test_ce_logging.py -> build/lib/ase/test/md -copying ase/test/md/test_md_logger_interval.py -> build/lib/ase/test/md -creating build/lib/ase/test/forcefields -copying ase/test/forcefields/test_qmmm.py -> build/lib/ase/test/forcefields -copying ase/test/forcefields/test_utils_ff_vdw.py -> build/lib/ase/test/forcefields -copying ase/test/forcefields/test_counterions.py -> build/lib/ase/test/forcefields -copying ase/test/forcefields/test_rattle_linear.py -> build/lib/ase/test/forcefields -copying ase/test/forcefields/test_rattle.py -> build/lib/ase/test/forcefields -copying ase/test/forcefields/test_combine_mm2.py -> build/lib/ase/test/forcefields -copying ase/test/forcefields/__init__.py -> build/lib/ase/test/forcefields -copying ase/test/forcefields/test_qmmm_acn.py -> build/lib/ase/test/forcefields -copying ase/test/forcefields/test_combine_mm.py -> build/lib/ase/test/forcefields -copying ase/test/forcefields/test_tipnp.py -> build/lib/ase/test/forcefields -copying ase/test/forcefields/test_aic.py -> build/lib/ase/test/forcefields -copying ase/test/forcefields/test_acn.py -> build/lib/ase/test/forcefields -copying ase/test/forcefields/test_forceqmmm.py -> build/lib/ase/test/forcefields -copying ase/test/forcefields/test_tip4p.py -> build/lib/ase/test/forcefields -creating build/lib/ase/test/lammpsdata -copying ase/test/lammpsdata/parse_lammps_data_file.py -> build/lib/ase/test/lammpsdata -copying ase/test/lammpsdata/test_lammpsdata_read.py -> build/lib/ase/test/lammpsdata -copying ase/test/lammpsdata/comparison.py -> build/lib/ase/test/lammpsdata -copying ase/test/lammpsdata/test_lammpsdata_write.py -> build/lib/ase/test/lammpsdata -copying ase/test/lammpsdata/conftest.py -> build/lib/ase/test/lammpsdata -copying ase/test/lammpsdata/__init__.py -> build/lib/ase/test/lammpsdata -copying ase/test/lammpsdata/test_read_connectivity.py -> build/lib/ase/test/lammpsdata -copying ase/test/lammpsdata/test_write_and_read.py -> build/lib/ase/test/lammpsdata -creating build/lib/ase/test/transport -copying ase/test/transport/test_transport_calculator.py -> build/lib/ase/test/transport -copying ase/test/transport/__init__.py -> build/lib/ase/test/transport -creating build/lib/ase/test/cell -copying ase/test/cell/test_cell.py -> build/lib/ase/test/cell -copying ase/test/cell/test_minkowski_reduce.py -> build/lib/ase/test/cell -copying ase/test/cell/test_standard_form.py -> build/lib/ase/test/cell -copying ase/test/cell/__init__.py -> build/lib/ase/test/cell -copying ase/test/cell/test_niggli_ndim.py -> build/lib/ase/test/cell -copying ase/test/cell/test_supercell.py -> build/lib/ase/test/cell -copying ase/test/cell/test_cell_conv.py -> build/lib/ase/test/cell -copying ase/test/cell/test_cell_completion.py -> build/lib/ase/test/cell -copying ase/test/cell/test_niggli.py -> build/lib/ase/test/cell -copying ase/test/cell/test_cell_uncompletion.py -> build/lib/ase/test/cell -copying ase/test/cell/test_conventional_map.py -> build/lib/ase/test/cell -copying ase/test/cell/test_niggli_op.py -> build/lib/ase/test/cell -creating build/lib/ase/test/db -copying ase/test/db/test_metadata.py -> build/lib/ase/test/db -copying ase/test/db/test_o2b2o.py -> build/lib/ase/test/db -copying ase/test/db/test_cli.py -> build/lib/ase/test/db -copying ase/test/db/conftest.py -> build/lib/ase/test/db -copying ase/test/db/test_jsondb.py -> build/lib/ase/test/db -copying ase/test/db/__init__.py -> build/lib/ase/test/db -copying ase/test/db/test_db2.py -> build/lib/ase/test/db -copying ase/test/db/test_sql_db_ext_tables.py -> build/lib/ase/test/db -copying ase/test/db/test_row.py -> build/lib/ase/test/db -copying ase/test/db/test_db.py -> build/lib/ase/test/db -copying ase/test/db/test_mysql.py -> build/lib/ase/test/db -copying ase/test/db/test_db_web.py -> build/lib/ase/test/db -copying ase/test/db/test_update.py -> build/lib/ase/test/db -copying ase/test/db/test_sqlite.py -> build/lib/ase/test/db -copying ase/test/db/test_table.py -> build/lib/ase/test/db -creating build/lib/ase/test/bandstructure -copying ase/test/bandstructure/test_bandstructure.py -> build/lib/ase/test/bandstructure -copying ase/test/bandstructure/test_resolve_custom_kpoints.py -> build/lib/ase/test/bandstructure -copying ase/test/bandstructure/__init__.py -> build/lib/ase/test/bandstructure -copying ase/test/bandstructure/test_bandstructure_json.py -> build/lib/ase/test/bandstructure -copying ase/test/bandstructure/test_bandstructure_many.py -> build/lib/ase/test/bandstructure -copying ase/test/bandstructure/test_bandstructure_transform_mcl.py -> build/lib/ase/test/bandstructure -copying ase/test/bandstructure/test_bandpath.py -> build/lib/ase/test/bandstructure +copying ase/test/ga/test_cutandsplicepairing.py -> build/lib/ase/test/ga +copying ase/test/ga/__init__.py -> build/lib/ase/test/ga +copying ase/test/ga/test_basic_example_main_run.py -> build/lib/ase/test/ga +copying ase/test/ga/test_chain_operators.py -> build/lib/ase/test/ga +copying ase/test/ga/test_slab_operators.py -> build/lib/ase/test/ga creating build/lib/ase/test/dft -copying ase/test/dft/test_dos.py -> build/lib/ase/test/dft copying ase/test/dft/test_kpt_density_monkhorst_pack.py -> build/lib/ase/test/dft +copying ase/test/dft/test_hex.py -> build/lib/ase/test/dft +copying ase/test/dft/test_dos.py -> build/lib/ase/test/dft +copying ase/test/dft/test_monoclinic.py -> build/lib/ase/test/dft +copying ase/test/dft/test_bee.py -> build/lib/ase/test/dft copying ase/test/dft/test_interpolate.py -> build/lib/ase/test/dft +copying ase/test/dft/test_bz.py -> build/lib/ase/test/dft +copying ase/test/dft/test_kpts_size_offsets.py -> build/lib/ase/test/dft copying ase/test/dft/test_min_distance_monkhorst_pack.py -> build/lib/ase/test/dft copying ase/test/dft/test_bandgap.py -> build/lib/ase/test/dft -copying ase/test/dft/test_bee.py -> build/lib/ase/test/dft copying ase/test/dft/__init__.py -> build/lib/ase/test/dft -copying ase/test/dft/test_kpts_size_offsets.py -> build/lib/ase/test/dft -copying ase/test/dft/test_hex.py -> build/lib/ase/test/dft -copying ase/test/dft/test_bz.py -> build/lib/ase/test/dft -copying ase/test/dft/test_monoclinic.py -> build/lib/ase/test/dft -creating build/lib/ase/test/calculator -copying ase/test/calculator/test_traj.py -> build/lib/ase/test/calculator -copying ase/test/calculator/test_polarizability.py -> build/lib/ase/test/calculator -copying ase/test/calculator/test_ts09.py -> build/lib/ase/test/calculator -copying ase/test/calculator/test_gulp_opt.py -> build/lib/ase/test/calculator -copying ase/test/calculator/test_harmonic.py -> build/lib/ase/test/calculator -copying ase/test/calculator/test_bond_polarizability.py -> build/lib/ase/test/calculator -copying ase/test/calculator/test_h2.py -> build/lib/ase/test/calculator -copying ase/test/calculator/test_mopac.py -> build/lib/ase/test/calculator -copying ase/test/calculator/test_h2_bond_force.py -> build/lib/ase/test/calculator -copying ase/test/calculator/test_gulp.py -> build/lib/ase/test/calculator -copying ase/test/calculator/conftest.py -> build/lib/ase/test/calculator -copying ase/test/calculator/test_al.py -> build/lib/ase/test/calculator -copying ase/test/calculator/test_eam.py -> build/lib/ase/test/calculator -copying ase/test/calculator/test_lj.py -> build/lib/ase/test/calculator -copying ase/test/calculator/__init__.py -> build/lib/ase/test/calculator -copying ase/test/calculator/test_orca.py -> build/lib/ase/test/calculator -copying ase/test/calculator/test_si_stress.py -> build/lib/ase/test/calculator -copying ase/test/calculator/test_calculator.py -> build/lib/ase/test/calculator -copying ase/test/calculator/test_subprocess_calculator.py -> build/lib/ase/test/calculator -copying ase/test/calculator/test_h2morse.py -> build/lib/ase/test/calculator -copying ase/test/calculator/test_ch4_energy.py -> build/lib/ase/test/calculator -copying ase/test/calculator/test_morse.py -> build/lib/ase/test/calculator -copying ase/test/calculator/test_mopac_version.py -> build/lib/ase/test/calculator -copying ase/test/calculator/test_fd.py -> build/lib/ase/test/calculator -copying ase/test/calculator/test_command.py -> build/lib/ase/test/calculator -copying ase/test/calculator/test_dftd3.py -> build/lib/ase/test/calculator -copying ase/test/calculator/test_eam_run.py -> build/lib/ase/test/calculator -copying ase/test/calculator/test_orca_qmmm.py -> build/lib/ase/test/calculator -creating build/lib/ase/test/vibrations -copying ase/test/vibrations/test_albrecht.py -> build/lib/ase/test/vibrations -copying ase/test/vibrations/test_placzek.py -> build/lib/ase/test/vibrations -copying ase/test/vibrations/test_pickle2json.py -> build/lib/ase/test/vibrations -copying ase/test/vibrations/test_combine.py -> build/lib/ase/test/vibrations -copying ase/test/vibrations/test_profeta_albrecht.py -> build/lib/ase/test/vibrations -copying ase/test/vibrations/test_folding.py -> build/lib/ase/test/vibrations -copying ase/test/vibrations/test_vib.py -> build/lib/ase/test/vibrations -copying ase/test/vibrations/test_vibrations_example.py -> build/lib/ase/test/vibrations -copying ase/test/vibrations/__init__.py -> build/lib/ase/test/vibrations -copying ase/test/vibrations/test_franck_condon.py -> build/lib/ase/test/vibrations -copying ase/test/vibrations/test_bond_polarizability_raman.py -> build/lib/ase/test/vibrations +creating build/lib/ase/test/build_ +copying ase/test/build_/test_bulk.py -> build/lib/ase/test/build_ +copying ase/test/build_/test_build_bulk.py -> build/lib/ase/test/build_ +copying ase/test/build_/test_connected.py -> build/lib/ase/test/build_ +copying ase/test/build_/test_surface.py -> build/lib/ase/test/build_ +copying ase/test/build_/test_supercells.py -> build/lib/ase/test/build_ +copying ase/test/build_/test_surface_terminations.py -> build/lib/ase/test/build_ +copying ase/test/build_/test_minimize_rotation_and_translation.py -> build/lib/ase/test/build_ +copying ase/test/build_/test_surface_stack.py -> build/lib/ase/test/build_ +copying ase/test/build_/test_attach.py -> build/lib/ase/test/build_ +copying ase/test/build_/__init__.py -> build/lib/ase/test/build_ +creating build/lib/ase/test/bravais +copying ase/test/bravais/test_main.py -> build/lib/ase/test/bravais +copying ase/test/bravais/test_hex.py -> build/lib/ase/test/bravais +copying ase/test/bravais/test_bravais_type_engine.py -> build/lib/ase/test/bravais +copying ase/test/bravais/test_2d_cell_pbc.py -> build/lib/ase/test/bravais +copying ase/test/bravais/test_line_lattice.py -> build/lib/ase/test/bravais +copying ase/test/bravais/test_orcc_mcl.py -> build/lib/ase/test/bravais +copying ase/test/bravais/test_eps.py -> build/lib/ase/test/bravais +copying ase/test/bravais/test_reduce.py -> build/lib/ase/test/bravais +copying ase/test/bravais/test_lattices.py -> build/lib/ase/test/bravais +copying ase/test/bravais/__init__.py -> build/lib/ase/test/bravais +copying ase/test/bravais/test_standard_form.py -> build/lib/ase/test/bravais +creating build/lib/ase/test/fio/exciting +copying ase/test/fio/exciting/test_exciting.py -> build/lib/ase/test/fio/exciting +copying ase/test/fio/exciting/__init__.py -> build/lib/ase/test/fio/exciting creating build/lib/ase/test/fio/vasp -copying ase/test/fio/vasp/test_poscar.py -> build/lib/ase/test/fio/vasp +copying ase/test/fio/vasp/test_vasp_out.py -> build/lib/ase/test/fio/vasp +copying ase/test/fio/vasp/test_vasp_outcar_parsers.py -> build/lib/ase/test/fio/vasp copying ase/test/fio/vasp/test_read_vasp_xml.py -> build/lib/ase/test/fio/vasp copying ase/test/fio/vasp/test_incar_writer.py -> build/lib/ase/test/fio/vasp -copying ase/test/fio/vasp/test_vasp_out.py -> build/lib/ase/test/fio/vasp copying ase/test/fio/vasp/__init__.py -> build/lib/ase/test/fio/vasp copying ase/test/fio/vasp/test_vasp_poscar.py -> build/lib/ase/test/fio/vasp -copying ase/test/fio/vasp/test_vasp_outcar_parsers.py -> build/lib/ase/test/fio/vasp -creating build/lib/ase/test/fio/exciting -copying ase/test/fio/exciting/test_exciting.py -> build/lib/ase/test/fio/exciting -copying ase/test/fio/exciting/__init__.py -> build/lib/ase/test/fio/exciting -creating build/lib/ase/test/fio/octopus -copying ase/test/fio/octopus/test_output.py -> build/lib/ase/test/fio/octopus -copying ase/test/fio/octopus/__init__.py -> build/lib/ase/test/fio/octopus -copying ase/test/fio/octopus/test_input.py -> build/lib/ase/test/fio/octopus +copying ase/test/fio/vasp/test_poscar.py -> build/lib/ase/test/fio/vasp creating build/lib/ase/test/fio/castep -copying ase/test/fio/castep/__init__.py -> build/lib/ase/test/fio/castep copying ase/test/fio/castep/test_castep_reader.py -> build/lib/ase/test/fio/castep copying ase/test/fio/castep/test_read_bands.py -> build/lib/ase/test/fio/castep +copying ase/test/fio/castep/__init__.py -> build/lib/ase/test/fio/castep creating build/lib/ase/test/fio/aims +copying ase/test/fio/aims/test_aims_out.py -> build/lib/ase/test/fio/aims +copying ase/test/fio/aims/test_geometry.py -> build/lib/ase/test/fio/aims copying ase/test/fio/aims/test_write_control.py -> build/lib/ase/test/fio/aims copying ase/test/fio/aims/test_aims_out_chunks.py -> build/lib/ase/test/fio/aims -copying ase/test/fio/aims/test_geometry.py -> build/lib/ase/test/fio/aims copying ase/test/fio/aims/__init__.py -> build/lib/ase/test/fio/aims -copying ase/test/fio/aims/test_aims_out.py -> build/lib/ase/test/fio/aims -creating build/lib/ase/test/calculator/crystal -copying ase/test/calculator/crystal/test_molecule.py -> build/lib/ase/test/calculator/crystal -copying ase/test/calculator/crystal/test_bulk.py -> build/lib/ase/test/calculator/crystal -copying ase/test/calculator/crystal/__init__.py -> build/lib/ase/test/calculator/crystal -copying ase/test/calculator/crystal/test_graphene.py -> build/lib/ase/test/calculator/crystal -creating build/lib/ase/test/calculator/vasp -copying ase/test/calculator/vasp/test_vasp_charge.py -> build/lib/ase/test/calculator/vasp -copying ase/test/calculator/vasp/test_vasp_co.py -> build/lib/ase/test/calculator/vasp -copying ase/test/calculator/vasp/test_vasp_xml.py -> build/lib/ase/test/calculator/vasp -copying ase/test/calculator/vasp/test_vasp_freq.py -> build/lib/ase/test/calculator/vasp -copying ase/test/calculator/vasp/test_chgcar.py -> build/lib/ase/test/calculator/vasp -copying ase/test/calculator/vasp/filecmp_ignore_whitespace.py -> build/lib/ase/test/calculator/vasp -copying ase/test/calculator/vasp/test_vasp_wdir.py -> build/lib/ase/test/calculator/vasp -copying ase/test/calculator/vasp/conftest.py -> build/lib/ase/test/calculator/vasp -copying ase/test/calculator/vasp/test_vasp_get_dos.py -> build/lib/ase/test/calculator/vasp -copying ase/test/calculator/vasp/test_vasp_input.py -> build/lib/ase/test/calculator/vasp -copying ase/test/calculator/vasp/test_vasp_calculator.py -> build/lib/ase/test/calculator/vasp -copying ase/test/calculator/vasp/test_vasp_kpoints.py -> build/lib/ase/test/calculator/vasp -copying ase/test/calculator/vasp/test_vasp_check_state.py -> build/lib/ase/test/calculator/vasp -copying ase/test/calculator/vasp/test_vasp_setup.py -> build/lib/ase/test/calculator/vasp -copying ase/test/calculator/vasp/test_vasp_Al_volrelax.py -> build/lib/ase/test/calculator/vasp -copying ase/test/calculator/vasp/__init__.py -> build/lib/ase/test/calculator/vasp -copying ase/test/calculator/vasp/test_vasp_incar.py -> build/lib/ase/test/calculator/vasp -copying ase/test/calculator/vasp/test_vasp_converge.py -> build/lib/ase/test/calculator/vasp -copying ase/test/calculator/vasp/test_version.py -> build/lib/ase/test/calculator/vasp -copying ase/test/calculator/vasp/test_vasp_errors.py -> build/lib/ase/test/calculator/vasp -copying ase/test/calculator/vasp/test_vasp_potcar.py -> build/lib/ase/test/calculator/vasp -creating build/lib/ase/test/calculator/gpaw_ -copying ase/test/calculator/gpaw_/test_read_text_output.py -> build/lib/ase/test/calculator/gpaw_ -copying ase/test/calculator/gpaw_/test_wannier.py -> build/lib/ase/test/calculator/gpaw_ -copying ase/test/calculator/gpaw_/__init__.py -> build/lib/ase/test/calculator/gpaw_ -copying ase/test/calculator/gpaw_/test_no_spin_and_spin.py -> build/lib/ase/test/calculator/gpaw_ -creating build/lib/ase/test/calculator/cp2k -copying ase/test/calculator/cp2k/test_cp2k_dcd.py -> build/lib/ase/test/calculator/cp2k -copying ase/test/calculator/cp2k/test_cp2k_many.py -> build/lib/ase/test/calculator/cp2k -copying ase/test/calculator/cp2k/__init__.py -> build/lib/ase/test/calculator/cp2k -copying ase/test/calculator/cp2k/test_cp2k_H2_None.py -> build/lib/ase/test/calculator/cp2k -copying ase/test/calculator/cp2k/test_cp2k_stress.py -> build/lib/ase/test/calculator/cp2k -copying ase/test/calculator/cp2k/test_cp2k_restart.py -> build/lib/ase/test/calculator/cp2k -creating build/lib/ase/test/calculator/turbomole -copying ase/test/calculator/turbomole/test_turbomole_qmmm.py -> build/lib/ase/test/calculator/turbomole -copying ase/test/calculator/turbomole/test_turbomole_optimizer.py -> build/lib/ase/test/calculator/turbomole -copying ase/test/calculator/turbomole/test_turbomole_h3o2m.py -> build/lib/ase/test/calculator/turbomole -copying ase/test/calculator/turbomole/test_turbomole_2h2o.py -> build/lib/ase/test/calculator/turbomole -copying ase/test/calculator/turbomole/test_turbomole_reader.py -> build/lib/ase/test/calculator/turbomole -copying ase/test/calculator/turbomole/__init__.py -> build/lib/ase/test/calculator/turbomole -copying ase/test/calculator/turbomole/test_turbomole_parameters.py -> build/lib/ase/test/calculator/turbomole -copying ase/test/calculator/turbomole/test_turbomole_au13.py -> build/lib/ase/test/calculator/turbomole -copying ase/test/calculator/turbomole/test_turbomole_h2o.py -> build/lib/ase/test/calculator/turbomole -copying ase/test/calculator/turbomole/test_turbomole_calculator.py -> build/lib/ase/test/calculator/turbomole -copying ase/test/calculator/turbomole/test_turbomole_statpt.py -> build/lib/ase/test/calculator/turbomole -copying ase/test/calculator/turbomole/test_turbomole_H2.py -> build/lib/ase/test/calculator/turbomole +creating build/lib/ase/test/fio/octopus +copying ase/test/fio/octopus/test_input.py -> build/lib/ase/test/fio/octopus +copying ase/test/fio/octopus/__init__.py -> build/lib/ase/test/fio/octopus +copying ase/test/fio/octopus/test_output.py -> build/lib/ase/test/fio/octopus +creating build/lib/ase/test/calculator/onetep +copying ase/test/calculator/onetep/__init__.py -> build/lib/ase/test/calculator/onetep +copying ase/test/calculator/onetep/test_onetep.py -> build/lib/ase/test/calculator/onetep creating build/lib/ase/test/calculator/siesta -copying ase/test/calculator/siesta/test_dos.py -> build/lib/ase/test/calculator/siesta copying ase/test/calculator/siesta/test_siesta_zmat.py -> build/lib/ase/test/calculator/siesta copying ase/test/calculator/siesta/test_bandstructure.py -> build/lib/ase/test/calculator/siesta -copying ase/test/calculator/siesta/__init__.py -> build/lib/ase/test/calculator/siesta +copying ase/test/calculator/siesta/test_dos.py -> build/lib/ase/test/calculator/siesta +copying ase/test/calculator/siesta/test_siesta_version.py -> build/lib/ase/test/calculator/siesta copying ase/test/calculator/siesta/test_write_input.py -> build/lib/ase/test/calculator/siesta copying ase/test/calculator/siesta/test_siesta_read_eigenvalues.py -> build/lib/ase/test/calculator/siesta +copying ase/test/calculator/siesta/__init__.py -> build/lib/ase/test/calculator/siesta copying ase/test/calculator/siesta/test_fdf_io.py -> build/lib/ase/test/calculator/siesta -copying ase/test/calculator/siesta/test_siesta_version.py -> build/lib/ase/test/calculator/siesta -creating build/lib/ase/test/calculator/socketio -copying ase/test/calculator/socketio/test_h2_stiffness.py -> build/lib/ase/test/calculator/socketio -copying ase/test/calculator/socketio/test_python_interface.py -> build/lib/ase/test/calculator/socketio -copying ase/test/calculator/socketio/test_integration.py -> build/lib/ase/test/calculator/socketio -copying ase/test/calculator/socketio/test_socket_io_mpi_line.py -> build/lib/ase/test/calculator/socketio -copying ase/test/calculator/socketio/__init__.py -> build/lib/ase/test/calculator/socketio -copying ase/test/calculator/socketio/test_ipi_protocol_bfgs.py -> build/lib/ase/test/calculator/socketio creating build/lib/ase/test/calculator/exciting copying ase/test/calculator/exciting/conftest.py -> build/lib/ase/test/calculator/exciting +copying ase/test/calculator/exciting/test_runner.py -> build/lib/ase/test/calculator/exciting copying ase/test/calculator/exciting/test_exciting.py -> build/lib/ase/test/calculator/exciting copying ase/test/calculator/exciting/__init__.py -> build/lib/ase/test/calculator/exciting -copying ase/test/calculator/exciting/test_runner.py -> build/lib/ase/test/calculator/exciting -creating build/lib/ase/test/calculator/octopus -copying ase/test/calculator/octopus/__init__.py -> build/lib/ase/test/calculator/octopus -copying ase/test/calculator/octopus/test_big.py -> build/lib/ase/test/calculator/octopus +creating build/lib/ase/test/calculator/psi4 +copying ase/test/calculator/psi4/test_psi4_HF_3_21G.py -> build/lib/ase/test/calculator/psi4 +copying ase/test/calculator/psi4/__init__.py -> build/lib/ase/test/calculator/psi4 +creating build/lib/ase/test/calculator/lammpsrun +copying ase/test/calculator/lammpsrun/test_lammps_units.py -> build/lib/ase/test/calculator/lammpsrun +copying ase/test/calculator/lammpsrun/test_Pt_stress_cellopt.py -> build/lib/ase/test/calculator/lammpsrun +copying ase/test/calculator/lammpsrun/test_NaCl_minimize.py -> build/lib/ase/test/calculator/lammpsrun +copying ase/test/calculator/lammpsrun/test_Pt_md_constraints_multistep.py -> build/lib/ase/test/calculator/lammpsrun +copying ase/test/calculator/lammpsrun/__init__.py -> build/lib/ase/test/calculator/lammpsrun +copying ase/test/calculator/lammpsrun/test_no_data_file_wrap.py -> build/lib/ase/test/calculator/lammpsrun +copying ase/test/calculator/lammpsrun/test_Ar_minimize.py -> build/lib/ase/test/calculator/lammpsrun +creating build/lib/ase/test/calculator/gamess_us +copying ase/test/calculator/gamess_us/test_basis_ecp.py -> build/lib/ase/test/calculator/gamess_us +copying ase/test/calculator/gamess_us/__init__.py -> build/lib/ase/test/calculator/gamess_us +copying ase/test/calculator/gamess_us/test_gamess_us.py -> build/lib/ase/test/calculator/gamess_us +creating build/lib/ase/test/calculator/qchem +copying ase/test/calculator/qchem/__init__.py -> build/lib/ase/test/calculator/qchem +copying ase/test/calculator/qchem/test_qchem_calculator.py -> build/lib/ase/test/calculator/qchem +creating build/lib/ase/test/calculator/nwchem +copying ase/test/calculator/nwchem/test_nwchem_bands.py -> build/lib/ase/test/calculator/nwchem +copying ase/test/calculator/nwchem/test_nwchem_multitask.py -> build/lib/ase/test/calculator/nwchem +copying ase/test/calculator/nwchem/test_nwchem_runmany.py -> build/lib/ase/test/calculator/nwchem +copying ase/test/calculator/nwchem/test_nwchem_version.py -> build/lib/ase/test/calculator/nwchem +copying ase/test/calculator/nwchem/test_nwchem_eigenvalues.py -> build/lib/ase/test/calculator/nwchem +copying ase/test/calculator/nwchem/test_nwchem_broken_symmetry.py -> build/lib/ase/test/calculator/nwchem +copying ase/test/calculator/nwchem/test_nwchem_h3o2m.py -> build/lib/ase/test/calculator/nwchem +copying ase/test/calculator/nwchem/test_nwchem_parser.py -> build/lib/ase/test/calculator/nwchem +copying ase/test/calculator/nwchem/test_nwchem_cmdline.py -> build/lib/ase/test/calculator/nwchem +copying ase/test/calculator/nwchem/__init__.py -> build/lib/ase/test/calculator/nwchem +copying ase/test/calculator/nwchem/test_nwchem_stress.py -> build/lib/ase/test/calculator/nwchem +copying ase/test/calculator/nwchem/test_nwchem_spin_symmetry.py -> build/lib/ase/test/calculator/nwchem creating build/lib/ase/test/calculator/demonnano -copying ase/test/calculator/demonnano/__init__.py -> build/lib/ase/test/calculator/demonnano copying ase/test/calculator/demonnano/test_h2o.py -> build/lib/ase/test/calculator/demonnano +copying ase/test/calculator/demonnano/__init__.py -> build/lib/ase/test/calculator/demonnano +creating build/lib/ase/test/calculator/lammpslib +copying ase/test/calculator/lammpslib/conftest.py -> build/lib/ase/test/calculator/lammpslib +copying ase/test/calculator/lammpslib/test_lammpslib_post_changebox_cmds.py -> build/lib/ase/test/calculator/lammpslib +copying ase/test/calculator/lammpslib/test_lammpslib_neighlist_bug.py -> build/lib/ase/test/calculator/lammpslib +copying ase/test/calculator/lammpslib/test_Pt_stress_cellopt.py -> build/lib/ase/test/calculator/lammpslib +copying ase/test/calculator/lammpslib/test_lammpslib_simple.py -> build/lib/ase/test/calculator/lammpslib +copying ase/test/calculator/lammpslib/test_lammpslib_change_cell_bcs.py -> build/lib/ase/test/calculator/lammpslib +copying ase/test/calculator/lammpslib/__init__.py -> build/lib/ase/test/calculator/lammpslib +copying ase/test/calculator/lammpslib/test_lammpslib_small_nonperiodic.py -> build/lib/ase/test/calculator/lammpslib +creating build/lib/ase/test/calculator/vasp +copying ase/test/calculator/vasp/test_version.py -> build/lib/ase/test/calculator/vasp +copying ase/test/calculator/vasp/test_chgcar.py -> build/lib/ase/test/calculator/vasp +copying ase/test/calculator/vasp/conftest.py -> build/lib/ase/test/calculator/vasp +copying ase/test/calculator/vasp/test_vasp_input.py -> build/lib/ase/test/calculator/vasp +copying ase/test/calculator/vasp/test_vasp_potcar.py -> build/lib/ase/test/calculator/vasp +copying ase/test/calculator/vasp/test_vasp_get_dos.py -> build/lib/ase/test/calculator/vasp +copying ase/test/calculator/vasp/test_vasp_check_state.py -> build/lib/ase/test/calculator/vasp +copying ase/test/calculator/vasp/test_vasp_xml.py -> build/lib/ase/test/calculator/vasp +copying ase/test/calculator/vasp/test_vasp_calculator.py -> build/lib/ase/test/calculator/vasp +copying ase/test/calculator/vasp/test_vasp_converge.py -> build/lib/ase/test/calculator/vasp +copying ase/test/calculator/vasp/test_vasp_incar.py -> build/lib/ase/test/calculator/vasp +copying ase/test/calculator/vasp/test_vasp_errors.py -> build/lib/ase/test/calculator/vasp +copying ase/test/calculator/vasp/filecmp_ignore_whitespace.py -> build/lib/ase/test/calculator/vasp +copying ase/test/calculator/vasp/test_vasp_kpoints.py -> build/lib/ase/test/calculator/vasp +copying ase/test/calculator/vasp/test_vasp_Al_volrelax.py -> build/lib/ase/test/calculator/vasp +copying ase/test/calculator/vasp/__init__.py -> build/lib/ase/test/calculator/vasp +copying ase/test/calculator/vasp/test_vasp_co.py -> build/lib/ase/test/calculator/vasp +copying ase/test/calculator/vasp/test_vasp_setup.py -> build/lib/ase/test/calculator/vasp +copying ase/test/calculator/vasp/test_vasp_charge.py -> build/lib/ase/test/calculator/vasp +copying ase/test/calculator/vasp/test_vasp_freq.py -> build/lib/ase/test/calculator/vasp +copying ase/test/calculator/vasp/test_vasp_wdir.py -> build/lib/ase/test/calculator/vasp +creating build/lib/ase/test/calculator/dmol +copying ase/test/calculator/dmol/test_water_dmol.py -> build/lib/ase/test/calculator/dmol +copying ase/test/calculator/dmol/test_Al_dmol.py -> build/lib/ase/test/calculator/dmol +copying ase/test/calculator/dmol/__init__.py -> build/lib/ase/test/calculator/dmol +creating build/lib/ase/test/calculator/lammps +copying ase/test/calculator/lammps/test_prism.py -> build/lib/ase/test/calculator/lammps +copying ase/test/calculator/lammps/__init__.py -> build/lib/ase/test/calculator/lammps creating build/lib/ase/test/calculator/castep copying ase/test/calculator/castep/__init__.py -> build/lib/ase/test/calculator/castep copying ase/test/calculator/castep/test_castep_interface.py -> build/lib/ase/test/calculator/castep +creating build/lib/ase/test/calculator/socketio +copying ase/test/calculator/socketio/test_socket_io_mpi_line.py -> build/lib/ase/test/calculator/socketio +copying ase/test/calculator/socketio/test_integration.py -> build/lib/ase/test/calculator/socketio +copying ase/test/calculator/socketio/test_python_interface.py -> build/lib/ase/test/calculator/socketio +copying ase/test/calculator/socketio/__init__.py -> build/lib/ase/test/calculator/socketio +copying ase/test/calculator/socketio/test_h2_stiffness.py -> build/lib/ase/test/calculator/socketio +copying ase/test/calculator/socketio/test_ipi_protocol_bfgs.py -> build/lib/ase/test/calculator/socketio +creating build/lib/ase/test/calculator/aims +copying ase/test/calculator/aims/test_version.py -> build/lib/ase/test/calculator/aims +copying ase/test/calculator/aims/test_H2O_aims.py -> build/lib/ase/test/calculator/aims +copying ase/test/calculator/aims/test_aims_interface.py -> build/lib/ase/test/calculator/aims +copying ase/test/calculator/aims/__init__.py -> build/lib/ase/test/calculator/aims +creating build/lib/ase/test/calculator/plumed +copying ase/test/calculator/plumed/test_plumed.py -> build/lib/ase/test/calculator/plumed +copying ase/test/calculator/plumed/__init__.py -> build/lib/ase/test/calculator/plumed +creating build/lib/ase/test/calculator/abinit +copying ase/test/calculator/abinit/test_main.py -> build/lib/ase/test/calculator/abinit +copying ase/test/calculator/abinit/test_abinit_cmdline.py -> build/lib/ase/test/calculator/abinit +copying ase/test/calculator/abinit/__init__.py -> build/lib/ase/test/calculator/abinit +creating build/lib/ase/test/calculator/demon +copying ase/test/calculator/demon/test_h2o_xas_xes.py -> build/lib/ase/test/calculator/demon +copying ase/test/calculator/demon/test_h2o.py -> build/lib/ase/test/calculator/demon +copying ase/test/calculator/demon/__init__.py -> build/lib/ase/test/calculator/demon +creating build/lib/ase/test/calculator/amber +copying ase/test/calculator/amber/test_amber.py -> build/lib/ase/test/calculator/amber +copying ase/test/calculator/amber/__init__.py -> build/lib/ase/test/calculator/amber +creating build/lib/ase/test/calculator/ace +copying ase/test/calculator/ace/test_ace.py -> build/lib/ase/test/calculator/ace +copying ase/test/calculator/ace/__init__.py -> build/lib/ase/test/calculator/ace +copying ase/test/calculator/ace/test_ace_calculator.py -> build/lib/ase/test/calculator/ace +creating build/lib/ase/test/calculator/octopus +copying ase/test/calculator/octopus/test_big.py -> build/lib/ase/test/calculator/octopus +copying ase/test/calculator/octopus/__init__.py -> build/lib/ase/test/calculator/octopus +creating build/lib/ase/test/calculator/elk +copying ase/test/calculator/elk/test_elk.py -> build/lib/ase/test/calculator/elk +copying ase/test/calculator/elk/__init__.py -> build/lib/ase/test/calculator/elk creating build/lib/ase/test/calculator/gaussian copying ase/test/calculator/gaussian/test_h2of.py -> build/lib/ase/test/calculator/gaussian copying ase/test/calculator/gaussian/test_water.py -> build/lib/ase/test/calculator/gaussian -copying ase/test/calculator/gaussian/__init__.py -> build/lib/ase/test/calculator/gaussian copying ase/test/calculator/gaussian/test_optimizer_irc.py -> build/lib/ase/test/calculator/gaussian -creating build/lib/ase/test/calculator/onetep -copying ase/test/calculator/onetep/test_onetep.py -> build/lib/ase/test/calculator/onetep -copying ase/test/calculator/onetep/__init__.py -> build/lib/ase/test/calculator/onetep -creating build/lib/ase/test/calculator/dftb -copying ase/test/calculator/dftb/test_dftb_relax_dimer.py -> build/lib/ase/test/calculator/dftb -copying ase/test/calculator/dftb/test_xtb_static.py -> build/lib/ase/test/calculator/dftb -copying ase/test/calculator/dftb/__init__.py -> build/lib/ase/test/calculator/dftb -copying ase/test/calculator/dftb/test_dftb_relax_bulk.py -> build/lib/ase/test/calculator/dftb -copying ase/test/calculator/dftb/test_dftb_relax_surface.py -> build/lib/ase/test/calculator/dftb -copying ase/test/calculator/dftb/test_dftb_bandstructure.py -> build/lib/ase/test/calculator/dftb -copying ase/test/calculator/dftb/test_dipole.py -> build/lib/ase/test/calculator/dftb +copying ase/test/calculator/gaussian/__init__.py -> build/lib/ase/test/calculator/gaussian +creating build/lib/ase/test/calculator/gromacs +copying ase/test/calculator/gromacs/test_gromacs.py -> build/lib/ase/test/calculator/gromacs +copying ase/test/calculator/gromacs/__init__.py -> build/lib/ase/test/calculator/gromacs +creating build/lib/ase/test/calculator/cp2k +copying ase/test/calculator/cp2k/test_cp2k_dcd.py -> build/lib/ase/test/calculator/cp2k +copying ase/test/calculator/cp2k/test_cp2k_many.py -> build/lib/ase/test/calculator/cp2k +copying ase/test/calculator/cp2k/test_cp2k_restart.py -> build/lib/ase/test/calculator/cp2k +copying ase/test/calculator/cp2k/test_cp2k_H2_None.py -> build/lib/ase/test/calculator/cp2k +copying ase/test/calculator/cp2k/__init__.py -> build/lib/ase/test/calculator/cp2k +copying ase/test/calculator/cp2k/test_cp2k_stress.py -> build/lib/ase/test/calculator/cp2k creating build/lib/ase/test/calculator/kim +copying ase/test/calculator/kim/test_energy_forces_stress.py -> build/lib/ase/test/calculator/kim copying ase/test/calculator/kim/test_cutoff_skin.py -> build/lib/ase/test/calculator/kim -copying ase/test/calculator/kim/test_modify_parameters.py -> build/lib/ase/test/calculator/kim copying ase/test/calculator/kim/test_update_coords.py -> build/lib/ase/test/calculator/kim -copying ase/test/calculator/kim/test_energy_forces_stress.py -> build/lib/ase/test/calculator/kim -copying ase/test/calculator/kim/__init__.py -> build/lib/ase/test/calculator/kim -copying ase/test/calculator/kim/test_multi_neighlist.py -> build/lib/ase/test/calculator/kim -copying ase/test/calculator/kim/test_update_neighbor_parameters.py -> build/lib/ase/test/calculator/kim copying ase/test/calculator/kim/test_single_atom.py -> build/lib/ase/test/calculator/kim copying ase/test/calculator/kim/test_relax.py -> build/lib/ase/test/calculator/kim -creating build/lib/ase/test/calculator/aims -copying ase/test/calculator/aims/test_H2O_aims.py -> build/lib/ase/test/calculator/aims -copying ase/test/calculator/aims/__init__.py -> build/lib/ase/test/calculator/aims -copying ase/test/calculator/aims/test_aims_interface.py -> build/lib/ase/test/calculator/aims -copying ase/test/calculator/aims/test_version.py -> build/lib/ase/test/calculator/aims -creating build/lib/ase/test/calculator/elk -copying ase/test/calculator/elk/__init__.py -> build/lib/ase/test/calculator/elk -copying ase/test/calculator/elk/test_elk.py -> build/lib/ase/test/calculator/elk -creating build/lib/ase/test/calculator/lammpslib -copying ase/test/calculator/lammpslib/test_lammpslib_neighlist_bug.py -> build/lib/ase/test/calculator/lammpslib -copying ase/test/calculator/lammpslib/test_lammpslib_simple.py -> build/lib/ase/test/calculator/lammpslib -copying ase/test/calculator/lammpslib/test_lammpslib_small_nonperiodic.py -> build/lib/ase/test/calculator/lammpslib -copying ase/test/calculator/lammpslib/conftest.py -> build/lib/ase/test/calculator/lammpslib -copying ase/test/calculator/lammpslib/test_Pt_stress_cellopt.py -> build/lib/ase/test/calculator/lammpslib -copying ase/test/calculator/lammpslib/__init__.py -> build/lib/ase/test/calculator/lammpslib -copying ase/test/calculator/lammpslib/test_lammpslib_post_changebox_cmds.py -> build/lib/ase/test/calculator/lammpslib -copying ase/test/calculator/lammpslib/test_lammpslib_change_cell_bcs.py -> build/lib/ase/test/calculator/lammpslib -creating build/lib/ase/test/calculator/amber -copying ase/test/calculator/amber/test_amber.py -> build/lib/ase/test/calculator/amber -copying ase/test/calculator/amber/__init__.py -> build/lib/ase/test/calculator/amber -creating build/lib/ase/test/calculator/abinit -copying ase/test/calculator/abinit/test_abinit_cmdline.py -> build/lib/ase/test/calculator/abinit -copying ase/test/calculator/abinit/__init__.py -> build/lib/ase/test/calculator/abinit -copying ase/test/calculator/abinit/test_main.py -> build/lib/ase/test/calculator/abinit +copying ase/test/calculator/kim/test_multi_neighlist.py -> build/lib/ase/test/calculator/kim +copying ase/test/calculator/kim/test_update_neighbor_parameters.py -> build/lib/ase/test/calculator/kim +copying ase/test/calculator/kim/__init__.py -> build/lib/ase/test/calculator/kim +copying ase/test/calculator/kim/test_modify_parameters.py -> build/lib/ase/test/calculator/kim creating build/lib/ase/test/calculator/espresso copying ase/test/calculator/espresso/test_espresso.py -> build/lib/ase/test/calculator/espresso copying ase/test/calculator/espresso/__init__.py -> build/lib/ase/test/calculator/espresso -creating build/lib/ase/test/calculator/ace -copying ase/test/calculator/ace/test_ace.py -> build/lib/ase/test/calculator/ace -copying ase/test/calculator/ace/__init__.py -> build/lib/ase/test/calculator/ace -copying ase/test/calculator/ace/test_ace_calculator.py -> build/lib/ase/test/calculator/ace -creating build/lib/ase/test/calculator/psi4 -copying ase/test/calculator/psi4/__init__.py -> build/lib/ase/test/calculator/psi4 -copying ase/test/calculator/psi4/test_psi4_HF_3_21G.py -> build/lib/ase/test/calculator/psi4 -creating build/lib/ase/test/calculator/lammpsrun -copying ase/test/calculator/lammpsrun/test_Pt_md_constraints_multistep.py -> build/lib/ase/test/calculator/lammpsrun -copying ase/test/calculator/lammpsrun/test_Pt_stress_cellopt.py -> build/lib/ase/test/calculator/lammpsrun -copying ase/test/calculator/lammpsrun/test_Ar_minimize.py -> build/lib/ase/test/calculator/lammpsrun -copying ase/test/calculator/lammpsrun/__init__.py -> build/lib/ase/test/calculator/lammpsrun -copying ase/test/calculator/lammpsrun/test_NaCl_minimize.py -> build/lib/ase/test/calculator/lammpsrun -copying ase/test/calculator/lammpsrun/test_no_data_file_wrap.py -> build/lib/ase/test/calculator/lammpsrun -copying ase/test/calculator/lammpsrun/test_lammps_units.py -> build/lib/ase/test/calculator/lammpsrun -creating build/lib/ase/test/calculator/plumed -copying ase/test/calculator/plumed/test_plumed.py -> build/lib/ase/test/calculator/plumed -copying ase/test/calculator/plumed/__init__.py -> build/lib/ase/test/calculator/plumed +creating build/lib/ase/test/calculator/turbomole +copying ase/test/calculator/turbomole/test_turbomole_h2o.py -> build/lib/ase/test/calculator/turbomole +copying ase/test/calculator/turbomole/test_turbomole_2h2o.py -> build/lib/ase/test/calculator/turbomole +copying ase/test/calculator/turbomole/test_turbomole_statpt.py -> build/lib/ase/test/calculator/turbomole +copying ase/test/calculator/turbomole/test_turbomole_parameters.py -> build/lib/ase/test/calculator/turbomole +copying ase/test/calculator/turbomole/test_turbomole_au13.py -> build/lib/ase/test/calculator/turbomole +copying ase/test/calculator/turbomole/test_turbomole_H2.py -> build/lib/ase/test/calculator/turbomole +copying ase/test/calculator/turbomole/test_turbomole_h3o2m.py -> build/lib/ase/test/calculator/turbomole +copying ase/test/calculator/turbomole/test_turbomole_calculator.py -> build/lib/ase/test/calculator/turbomole +copying ase/test/calculator/turbomole/test_turbomole_qmmm.py -> build/lib/ase/test/calculator/turbomole +copying ase/test/calculator/turbomole/test_turbomole_reader.py -> build/lib/ase/test/calculator/turbomole +copying ase/test/calculator/turbomole/__init__.py -> build/lib/ase/test/calculator/turbomole +copying ase/test/calculator/turbomole/test_turbomole_optimizer.py -> build/lib/ase/test/calculator/turbomole +creating build/lib/ase/test/calculator/crystal +copying ase/test/calculator/crystal/test_bulk.py -> build/lib/ase/test/calculator/crystal +copying ase/test/calculator/crystal/test_graphene.py -> build/lib/ase/test/calculator/crystal +copying ase/test/calculator/crystal/test_molecule.py -> build/lib/ase/test/calculator/crystal +copying ase/test/calculator/crystal/__init__.py -> build/lib/ase/test/calculator/crystal +creating build/lib/ase/test/calculator/dftb +copying ase/test/calculator/dftb/test_dftb_relax_bulk.py -> build/lib/ase/test/calculator/dftb +copying ase/test/calculator/dftb/test_dftb_bandstructure.py -> build/lib/ase/test/calculator/dftb +copying ase/test/calculator/dftb/test_dftb_relax_surface.py -> build/lib/ase/test/calculator/dftb +copying ase/test/calculator/dftb/test_xtb_static.py -> build/lib/ase/test/calculator/dftb +copying ase/test/calculator/dftb/test_dftb_relax_dimer.py -> build/lib/ase/test/calculator/dftb +copying ase/test/calculator/dftb/test_dipole.py -> build/lib/ase/test/calculator/dftb +copying ase/test/calculator/dftb/__init__.py -> build/lib/ase/test/calculator/dftb creating build/lib/ase/test/calculator/openmx -copying ase/test/calculator/openmx/__init__.py -> build/lib/ase/test/calculator/openmx -copying ase/test/calculator/openmx/test_md.py -> build/lib/ase/test/calculator/openmx copying ase/test/calculator/openmx/test_version.py -> build/lib/ase/test/calculator/openmx -creating build/lib/ase/test/calculator/dmol -copying ase/test/calculator/dmol/test_water_dmol.py -> build/lib/ase/test/calculator/dmol -copying ase/test/calculator/dmol/__init__.py -> build/lib/ase/test/calculator/dmol -copying ase/test/calculator/dmol/test_Al_dmol.py -> build/lib/ase/test/calculator/dmol -creating build/lib/ase/test/calculator/lammps -copying ase/test/calculator/lammps/test_prism.py -> build/lib/ase/test/calculator/lammps -copying ase/test/calculator/lammps/__init__.py -> build/lib/ase/test/calculator/lammps -creating build/lib/ase/test/calculator/nwchem -copying ase/test/calculator/nwchem/test_nwchem_multitask.py -> build/lib/ase/test/calculator/nwchem -copying ase/test/calculator/nwchem/test_nwchem_parser.py -> build/lib/ase/test/calculator/nwchem -copying ase/test/calculator/nwchem/test_nwchem_eigenvalues.py -> build/lib/ase/test/calculator/nwchem -copying ase/test/calculator/nwchem/test_nwchem_cmdline.py -> build/lib/ase/test/calculator/nwchem -copying ase/test/calculator/nwchem/test_nwchem_spin_symmetry.py -> build/lib/ase/test/calculator/nwchem -copying ase/test/calculator/nwchem/test_nwchem_stress.py -> build/lib/ase/test/calculator/nwchem -copying ase/test/calculator/nwchem/test_nwchem_version.py -> build/lib/ase/test/calculator/nwchem -copying ase/test/calculator/nwchem/__init__.py -> build/lib/ase/test/calculator/nwchem -copying ase/test/calculator/nwchem/test_nwchem_bands.py -> build/lib/ase/test/calculator/nwchem -copying ase/test/calculator/nwchem/test_nwchem_runmany.py -> build/lib/ase/test/calculator/nwchem -copying ase/test/calculator/nwchem/test_nwchem_broken_symmetry.py -> build/lib/ase/test/calculator/nwchem -copying ase/test/calculator/nwchem/test_nwchem_h3o2m.py -> build/lib/ase/test/calculator/nwchem -creating build/lib/ase/test/calculator/demon -copying ase/test/calculator/demon/__init__.py -> build/lib/ase/test/calculator/demon -copying ase/test/calculator/demon/test_h2o.py -> build/lib/ase/test/calculator/demon -copying ase/test/calculator/demon/test_h2o_xas_xes.py -> build/lib/ase/test/calculator/demon -creating build/lib/ase/test/calculator/gromacs -copying ase/test/calculator/gromacs/test_gromacs.py -> build/lib/ase/test/calculator/gromacs -copying ase/test/calculator/gromacs/__init__.py -> build/lib/ase/test/calculator/gromacs -creating build/lib/ase/test/calculator/qchem -copying ase/test/calculator/qchem/__init__.py -> build/lib/ase/test/calculator/qchem -copying ase/test/calculator/qchem/test_qchem_calculator.py -> build/lib/ase/test/calculator/qchem -creating build/lib/ase/test/calculator/gamess_us -copying ase/test/calculator/gamess_us/__init__.py -> build/lib/ase/test/calculator/gamess_us -copying ase/test/calculator/gamess_us/test_basis_ecp.py -> build/lib/ase/test/calculator/gamess_us -copying ase/test/calculator/gamess_us/test_gamess_us.py -> build/lib/ase/test/calculator/gamess_us +copying ase/test/calculator/openmx/test_md.py -> build/lib/ase/test/calculator/openmx +copying ase/test/calculator/openmx/__init__.py -> build/lib/ase/test/calculator/openmx +creating build/lib/ase/test/calculator/gpaw_ +copying ase/test/calculator/gpaw_/test_no_spin_and_spin.py -> build/lib/ase/test/calculator/gpaw_ +copying ase/test/calculator/gpaw_/test_read_text_output.py -> build/lib/ase/test/calculator/gpaw_ +copying ase/test/calculator/gpaw_/__init__.py -> build/lib/ase/test/calculator/gpaw_ +copying ase/test/calculator/gpaw_/test_wannier.py -> build/lib/ase/test/calculator/gpaw_ creating build/lib/ase/test/calculator/siesta/test_scripts copying ase/test/calculator/siesta/test_scripts/__init__.py -> build/lib/ase/test/calculator/siesta/test_scripts creating build/lib/ase/test/calculator/siesta/lrtddft -copying ase/test/calculator/siesta/lrtddft/__init__.py -> build/lib/ase/test/calculator/siesta/lrtddft -copying ase/test/calculator/siesta/lrtddft/test_siesta_lrtddft.py -> build/lib/ase/test/calculator/siesta/lrtddft copying ase/test/calculator/siesta/lrtddft/test_siesta_raman.py -> build/lib/ase/test/calculator/siesta/lrtddft -creating build/lib/ase/test/calculator/siesta/test_scripts/Charge -copying ase/test/calculator/siesta/test_scripts/Charge/script.py -> build/lib/ase/test/calculator/siesta/test_scripts/Charge -creating build/lib/ase/test/calculator/siesta/test_scripts/Na8 -copying ase/test/calculator/siesta/test_scripts/Na8/script.py -> build/lib/ase/test/calculator/siesta/test_scripts/Na8 -copying ase/test/calculator/siesta/test_scripts/Na8/__init__.py -> build/lib/ase/test/calculator/siesta/test_scripts/Na8 -creating build/lib/ase/test/calculator/siesta/test_scripts/H2 -copying ase/test/calculator/siesta/test_scripts/H2/script.py -> build/lib/ase/test/calculator/siesta/test_scripts/H2 -copying ase/test/calculator/siesta/test_scripts/H2/__init__.py -> build/lib/ase/test/calculator/siesta/test_scripts/H2 +copying ase/test/calculator/siesta/lrtddft/test_siesta_lrtddft.py -> build/lib/ase/test/calculator/siesta/lrtddft +copying ase/test/calculator/siesta/lrtddft/__init__.py -> build/lib/ase/test/calculator/siesta/lrtddft creating build/lib/ase/test/calculator/siesta/test_scripts/Si copying ase/test/calculator/siesta/test_scripts/Si/script.py -> build/lib/ase/test/calculator/siesta/test_scripts/Si copying ase/test/calculator/siesta/test_scripts/Si/__init__.py -> build/lib/ase/test/calculator/siesta/test_scripts/Si +creating build/lib/ase/test/calculator/siesta/test_scripts/Na8 +copying ase/test/calculator/siesta/test_scripts/Na8/script.py -> build/lib/ase/test/calculator/siesta/test_scripts/Na8 +copying ase/test/calculator/siesta/test_scripts/Na8/__init__.py -> build/lib/ase/test/calculator/siesta/test_scripts/Na8 creating build/lib/ase/test/calculator/siesta/test_scripts/CH4 copying ase/test/calculator/siesta/test_scripts/CH4/script.py -> build/lib/ase/test/calculator/siesta/test_scripts/CH4 copying ase/test/calculator/siesta/test_scripts/CH4/__init__.py -> build/lib/ase/test/calculator/siesta/test_scripts/CH4 +creating build/lib/ase/test/calculator/siesta/test_scripts/H2 +copying ase/test/calculator/siesta/test_scripts/H2/script.py -> build/lib/ase/test/calculator/siesta/test_scripts/H2 +copying ase/test/calculator/siesta/test_scripts/H2/__init__.py -> build/lib/ase/test/calculator/siesta/test_scripts/H2 +creating build/lib/ase/test/calculator/siesta/test_scripts/Charge +copying ase/test/calculator/siesta/test_scripts/Charge/script.py -> build/lib/ase/test/calculator/siesta/test_scripts/Charge creating build/lib/ase/optimize/test copying ase/optimize/test/generate_rst.py -> build/lib/ase/optimize/test copying ase/optimize/test/test.py -> build/lib/ase/optimize/test -copying ase/optimize/test/analyze.py -> build/lib/ase/optimize/test -copying ase/optimize/test/__init__.py -> build/lib/ase/optimize/test copying ase/optimize/test/systems.py -> build/lib/ase/optimize/test +copying ase/optimize/test/__init__.py -> build/lib/ase/optimize/test copying ase/optimize/test/neb.py -> build/lib/ase/optimize/test +copying ase/optimize/test/analyze.py -> build/lib/ase/optimize/test +creating build/lib/ase/optimize/precon +copying ase/optimize/precon/lbfgs.py -> build/lib/ase/optimize/precon +copying ase/optimize/precon/neighbors.py -> build/lib/ase/optimize/precon +copying ase/optimize/precon/fire.py -> build/lib/ase/optimize/precon +copying ase/optimize/precon/precon.py -> build/lib/ase/optimize/precon +copying ase/optimize/precon/__init__.py -> build/lib/ase/optimize/precon creating build/lib/ase/optimize/gpmin +copying ase/optimize/gpmin/gp.py -> build/lib/ase/optimize/gpmin copying ase/optimize/gpmin/prior.py -> build/lib/ase/optimize/gpmin copying ase/optimize/gpmin/gpmin.py -> build/lib/ase/optimize/gpmin -copying ase/optimize/gpmin/gp.py -> build/lib/ase/optimize/gpmin copying ase/optimize/gpmin/kernel.py -> build/lib/ase/optimize/gpmin copying ase/optimize/gpmin/__init__.py -> build/lib/ase/optimize/gpmin -creating build/lib/ase/optimize/precon -copying ase/optimize/precon/precon.py -> build/lib/ase/optimize/precon -copying ase/optimize/precon/lbfgs.py -> build/lib/ase/optimize/precon -copying ase/optimize/precon/__init__.py -> build/lib/ase/optimize/precon -copying ase/optimize/precon/neighbors.py -> build/lib/ase/optimize/precon -copying ase/optimize/precon/fire.py -> build/lib/ase/optimize/precon creating build/lib/ase/geometry/dimensionality +copying ase/geometry/dimensionality/disjoint_set.py -> build/lib/ase/geometry/dimensionality +copying ase/geometry/dimensionality/bond_generator.py -> build/lib/ase/geometry/dimensionality +copying ase/geometry/dimensionality/interval_analysis.py -> build/lib/ase/geometry/dimensionality copying ase/geometry/dimensionality/isolation.py -> build/lib/ase/geometry/dimensionality copying ase/geometry/dimensionality/rank_determination.py -> build/lib/ase/geometry/dimensionality copying ase/geometry/dimensionality/topology_scaling.py -> build/lib/ase/geometry/dimensionality copying ase/geometry/dimensionality/__init__.py -> build/lib/ase/geometry/dimensionality -copying ase/geometry/dimensionality/interval_analysis.py -> build/lib/ase/geometry/dimensionality -copying ase/geometry/dimensionality/bond_generator.py -> build/lib/ase/geometry/dimensionality -copying ase/geometry/dimensionality/disjoint_set.py -> build/lib/ase/geometry/dimensionality -creating build/lib/ase/calculators/vasp -copying ase/calculators/vasp/create_input.py -> build/lib/ase/calculators/vasp -copying ase/calculators/vasp/vasp.py -> build/lib/ase/calculators/vasp -copying ase/calculators/vasp/vasp_data.py -> build/lib/ase/calculators/vasp -copying ase/calculators/vasp/__init__.py -> build/lib/ase/calculators/vasp -copying ase/calculators/vasp/vasp2.py -> build/lib/ase/calculators/vasp -copying ase/calculators/vasp/setups.py -> build/lib/ase/calculators/vasp -copying ase/calculators/vasp/vasp_auxiliary.py -> build/lib/ase/calculators/vasp -copying ase/calculators/vasp/interactive.py -> build/lib/ase/calculators/vasp -creating build/lib/ase/calculators/turbomole -copying ase/calculators/turbomole/__init__.py -> build/lib/ase/calculators/turbomole -copying ase/calculators/turbomole/turbomole.py -> build/lib/ase/calculators/turbomole -copying ase/calculators/turbomole/writer.py -> build/lib/ase/calculators/turbomole -copying ase/calculators/turbomole/reader.py -> build/lib/ase/calculators/turbomole -copying ase/calculators/turbomole/parameters.py -> build/lib/ase/calculators/turbomole -copying ase/calculators/turbomole/executor.py -> build/lib/ase/calculators/turbomole creating build/lib/ase/calculators/siesta -copying ase/calculators/siesta/siesta.py -> build/lib/ase/calculators/siesta -copying ase/calculators/siesta/siesta_lrtddft.py -> build/lib/ase/calculators/siesta copying ase/calculators/siesta/import_ion_xml.py -> build/lib/ase/calculators/siesta -copying ase/calculators/siesta/__init__.py -> build/lib/ase/calculators/siesta +copying ase/calculators/siesta/siesta_lrtddft.py -> build/lib/ase/calculators/siesta copying ase/calculators/siesta/parameters.py -> build/lib/ase/calculators/siesta +copying ase/calculators/siesta/__init__.py -> build/lib/ase/calculators/siesta +copying ase/calculators/siesta/siesta.py -> build/lib/ase/calculators/siesta creating build/lib/ase/calculators/exciting -copying ase/calculators/exciting/__init__.py -> build/lib/ase/calculators/exciting copying ase/calculators/exciting/runner.py -> build/lib/ase/calculators/exciting copying ase/calculators/exciting/exciting.py -> build/lib/ase/calculators/exciting +copying ase/calculators/exciting/__init__.py -> build/lib/ase/calculators/exciting +creating build/lib/ase/calculators/vasp +copying ase/calculators/vasp/vasp.py -> build/lib/ase/calculators/vasp +copying ase/calculators/vasp/create_input.py -> build/lib/ase/calculators/vasp +copying ase/calculators/vasp/interactive.py -> build/lib/ase/calculators/vasp +copying ase/calculators/vasp/setups.py -> build/lib/ase/calculators/vasp +copying ase/calculators/vasp/vasp_auxiliary.py -> build/lib/ase/calculators/vasp +copying ase/calculators/vasp/vasp_data.py -> build/lib/ase/calculators/vasp +copying ase/calculators/vasp/vasp2.py -> build/lib/ase/calculators/vasp +copying ase/calculators/vasp/__init__.py -> build/lib/ase/calculators/vasp +creating build/lib/ase/calculators/lammps +copying ase/calculators/lammps/coordinatetransform.py -> build/lib/ase/calculators/lammps +copying ase/calculators/lammps/unitconvert_constants.py -> build/lib/ase/calculators/lammps +copying ase/calculators/lammps/unitconvert.py -> build/lib/ase/calculators/lammps +copying ase/calculators/lammps/__init__.py -> build/lib/ase/calculators/lammps +copying ase/calculators/lammps/inputwriter.py -> build/lib/ase/calculators/lammps +creating build/lib/ase/calculators/demon +copying ase/calculators/demon/demon_io.py -> build/lib/ase/calculators/demon +copying ase/calculators/demon/__init__.py -> build/lib/ase/calculators/demon +copying ase/calculators/demon/demon.py -> build/lib/ase/calculators/demon creating build/lib/ase/calculators/kim copying ase/calculators/kim/exceptions.py -> build/lib/ase/calculators/kim +copying ase/calculators/kim/kimpy_wrappers.py -> build/lib/ase/calculators/kim +copying ase/calculators/kim/calculators.py -> build/lib/ase/calculators/kim +copying ase/calculators/kim/kim.py -> build/lib/ase/calculators/kim copying ase/calculators/kim/kimmodel.py -> build/lib/ase/calculators/kim copying ase/calculators/kim/neighborlist.py -> build/lib/ase/calculators/kim -copying ase/calculators/kim/kim.py -> build/lib/ase/calculators/kim copying ase/calculators/kim/__init__.py -> build/lib/ase/calculators/kim -copying ase/calculators/kim/kimpy_wrappers.py -> build/lib/ase/calculators/kim -copying ase/calculators/kim/calculators.py -> build/lib/ase/calculators/kim +creating build/lib/ase/calculators/turbomole +copying ase/calculators/turbomole/turbomole.py -> build/lib/ase/calculators/turbomole +copying ase/calculators/turbomole/executor.py -> build/lib/ase/calculators/turbomole +copying ase/calculators/turbomole/parameters.py -> build/lib/ase/calculators/turbomole +copying ase/calculators/turbomole/reader.py -> build/lib/ase/calculators/turbomole +copying ase/calculators/turbomole/__init__.py -> build/lib/ase/calculators/turbomole +copying ase/calculators/turbomole/writer.py -> build/lib/ase/calculators/turbomole creating build/lib/ase/calculators/openmx +copying ase/calculators/openmx/openmx.py -> build/lib/ase/calculators/openmx copying ase/calculators/openmx/default_settings.py -> build/lib/ase/calculators/openmx +copying ase/calculators/openmx/parameters.py -> build/lib/ase/calculators/openmx copying ase/calculators/openmx/dos.py -> build/lib/ase/calculators/openmx +copying ase/calculators/openmx/reader.py -> build/lib/ase/calculators/openmx copying ase/calculators/openmx/__init__.py -> build/lib/ase/calculators/openmx copying ase/calculators/openmx/writer.py -> build/lib/ase/calculators/openmx -copying ase/calculators/openmx/reader.py -> build/lib/ase/calculators/openmx -copying ase/calculators/openmx/parameters.py -> build/lib/ase/calculators/openmx -copying ase/calculators/openmx/openmx.py -> build/lib/ase/calculators/openmx -creating build/lib/ase/calculators/lammps -copying ase/calculators/lammps/coordinatetransform.py -> build/lib/ase/calculators/lammps -copying ase/calculators/lammps/unitconvert.py -> build/lib/ase/calculators/lammps -copying ase/calculators/lammps/__init__.py -> build/lib/ase/calculators/lammps -copying ase/calculators/lammps/unitconvert_constants.py -> build/lib/ase/calculators/lammps -copying ase/calculators/lammps/inputwriter.py -> build/lib/ase/calculators/lammps -creating build/lib/ase/calculators/demon -copying ase/calculators/demon/demon_io.py -> build/lib/ase/calculators/demon -copying ase/calculators/demon/demon.py -> build/lib/ase/calculators/demon -copying ase/calculators/demon/__init__.py -> build/lib/ase/calculators/demon +creating build/lib/ase/io/nwchem +copying ase/io/nwchem/nwreader.py -> build/lib/ase/io/nwchem +copying ase/io/nwchem/nwreader_in.py -> build/lib/ase/io/nwchem +copying ase/io/nwchem/nwwriter.py -> build/lib/ase/io/nwchem +copying ase/io/nwchem/__init__.py -> build/lib/ase/io/nwchem +copying ase/io/nwchem/parser.py -> build/lib/ase/io/nwchem +creating build/lib/ase/io/castep +copying ase/io/castep/castep_reader.py -> build/lib/ase/io/castep +copying ase/io/castep/castep_input_file.py -> build/lib/ase/io/castep +copying ase/io/castep/__init__.py -> build/lib/ase/io/castep +creating build/lib/ase/io/octopus +copying ase/io/octopus/output.py -> build/lib/ase/io/octopus +copying ase/io/octopus/input.py -> build/lib/ase/io/octopus +copying ase/io/octopus/__init__.py -> build/lib/ase/io/octopus +creating build/lib/ase/io/espresso_namelist +copying ase/io/espresso_namelist/keys.py -> build/lib/ase/io/espresso_namelist +copying ase/io/espresso_namelist/namelist.py -> build/lib/ase/io/espresso_namelist +copying ase/io/espresso_namelist/__init__.py -> build/lib/ase/io/espresso_namelist +creating build/lib/ase/io/vasp_parsers +copying ase/io/vasp_parsers/incar_writer.py -> build/lib/ase/io/vasp_parsers +copying ase/io/vasp_parsers/vasp_outcar_parsers.py -> build/lib/ase/io/vasp_parsers +copying ase/io/vasp_parsers/__init__.py -> build/lib/ase/io/vasp_parsers running egg_info creating ase.egg-info writing ase.egg-info/PKG-INFO @@ -3004,102 +3040,102 @@ writing manifest file 'ase.egg-info/SOURCES.txt' copying ase/py.typed -> build/lib/ase copying ase/spacegroup/spacegroup.dat -> build/lib/ase/spacegroup -copying ase/collections/dcdft.json -> build/lib/ase/collections copying ase/collections/s22.json -> build/lib/ase/collections +copying ase/collections/dcdft.json -> build/lib/ase/collections copying ase/collections/g2.json -> build/lib/ase/collections creating build/lib/ase/db/templates +copying ase/db/templates/row.html -> build/lib/ase/db/templates copying ase/db/templates/layout.html -> build/lib/ase/db/templates -copying ase/db/templates/table.html -> build/lib/ase/db/templates +copying ase/db/templates/style.html -> build/lib/ase/db/templates copying ase/db/templates/search.html -> build/lib/ase/db/templates -copying ase/db/templates/row.html -> build/lib/ase/db/templates copying ase/db/templates/js.html -> build/lib/ase/db/templates -copying ase/db/templates/style.html -> build/lib/ase/db/templates +copying ase/db/templates/table.html -> build/lib/ase/db/templates creating build/lib/ase/db/static -copying ase/db/static/style.css -> build/lib/ase/db/static copying ase/db/static/row.js -> build/lib/ase/db/static +copying ase/db/static/style.css -> build/lib/ase/db/static copying ase/db/static/search.js -> build/lib/ase/db/static copying ase/test/pytest.ini -> build/lib/ase/test creating build/lib/ase/test/testdata +copying ase/test/testdata/nomad-images.nomad-json -> build/lib/ase/test/testdata +copying ase/test/testdata/onetep_include_nested.dat -> build/lib/ase/test/testdata +copying ase/test/testdata/README.md -> build/lib/ase/test/testdata copying ase/test/testdata/qbox_04_md_ntc.reference.xml -> build/lib/ase/test/testdata -creating build/lib/ase/test/testdata/io/eon -copying ase/test/testdata/io/eon/single.con -> build/lib/ase/test/testdata/io/eon -copying ase/test/testdata/io/eon/multi.con -> build/lib/ase/test/testdata/io/eon +creating build/lib/ase/test/testdata/siesta +copying ase/test/testdata/siesta/siesta.EIG -> build/lib/ase/test/testdata/siesta +creating build/lib/ase/test/testdata/nwchem +copying ase/test/testdata/nwchem/snippet_multipole_7.0.2-gcc.nwo -> build/lib/ase/test/testdata/nwchem +copying ase/test/testdata/nwchem/snippet_multipole_7.0.2-intel.nwo -> build/lib/ase/test/testdata/nwchem creating build/lib/ase/test/testdata/vasp copying ase/test/testdata/vasp/OUTCAR_example_1 -> build/lib/ase/test/testdata/vasp -copying ase/test/testdata/vasp/convergence_OUTCAR_y_y -> build/lib/ase/test/testdata/vasp -copying ase/test/testdata/vasp/POSCAR_example_1 -> build/lib/ase/test/testdata/vasp creating build/lib/ase/test/testdata/vasp/Li copying ase/test/testdata/vasp/Li/CHG -> build/lib/ase/test/testdata/vasp/Li -copying ase/test/testdata/vasp/vasprun_dfpt.xml -> build/lib/ase/test/testdata/vasp -copying ase/test/testdata/vasp/convergence_OUTCAR_y_n -> build/lib/ase/test/testdata/vasp copying ase/test/testdata/vasp/convergence_OUTCAR_n_y -> build/lib/ase/test/testdata/vasp -copying ase/test/testdata/lammpsdata_input.data -> build/lib/ase/test/testdata -copying ase/test/testdata/lammpslib_simple_input.data -> build/lib/ase/test/testdata -copying ase/test/testdata/rotated_bz.png -> build/lib/ase/test/testdata -copying ase/test/testdata/nomad-images.nomad-json -> build/lib/ase/test/testdata -copying ase/test/testdata/172_defs.par -> build/lib/ase/test/testdata -creating build/lib/ase/test/testdata/siesta -copying ase/test/testdata/siesta/siesta.EIG -> build/lib/ase/test/testdata/siesta -creating build/lib/ase/test/testdata/octopus -copying ase/test/testdata/octopus/periodic_systems_03-sodium_chain.02-unocc_eigenvalues -> build/lib/ase/test/testdata/octopus -copying ase/test/testdata/octopus/periodic_systems_30-stress.05-output_scf_info -> build/lib/ase/test/testdata/octopus -copying ase/test/testdata/octopus/linear_response_02-h2o_pol_lr.01_h2o_gs_info -> build/lib/ase/test/testdata/octopus -copying ase/test/testdata/octopus/periodic_systems_25-Fe_polarized.01-gs_info -> build/lib/ase/test/testdata/octopus +copying ase/test/testdata/vasp/convergence_OUTCAR_y_y -> build/lib/ase/test/testdata/vasp +copying ase/test/testdata/vasp/POSCAR_example_1 -> build/lib/ase/test/testdata/vasp +copying ase/test/testdata/vasp/convergence_OUTCAR_y_n -> build/lib/ase/test/testdata/vasp +copying ase/test/testdata/vasp/vasprun_dfpt.xml -> build/lib/ase/test/testdata/vasp +copying ase/test/testdata/opls_structure_ext.xyz -> build/lib/ase/test/testdata creating build/lib/ase/test/testdata/castep copying ase/test/testdata/castep/md.castep -> build/lib/ase/test/testdata/castep -copying ase/test/testdata/onetep_include.dat -> build/lib/ase/test/testdata -copying ase/test/testdata/opls_structure_ext.xyz -> build/lib/ase/test/testdata creating build/lib/ase/test/testdata/aims -copying ase/test/testdata/aims/issue_3345_spin_md_light.out -> build/lib/ase/test/testdata/aims -copying ase/test/testdata/aims/socket.out -> build/lib/ase/test/testdata/aims -copying ase/test/testdata/aims/preamble_fail.out -> build/lib/ase/test/testdata/aims -copying ase/test/testdata/aims/singlepoint.out -> build/lib/ase/test/testdata/aims -copying ase/test/testdata/aims/DFPT_dielectric.out -> build/lib/ase/test/testdata/aims -copying ase/test/testdata/aims/md.out -> build/lib/ase/test/testdata/aims copying ase/test/testdata/aims/numerical_stress.out -> build/lib/ase/test/testdata/aims copying ase/test/testdata/aims/polarization.out -> build/lib/ase/test/testdata/aims +copying ase/test/testdata/aims/singlepoint.out -> build/lib/ase/test/testdata/aims +copying ase/test/testdata/aims/md.out -> build/lib/ase/test/testdata/aims +copying ase/test/testdata/aims/issue_3345_spin_md_light.out -> build/lib/ase/test/testdata/aims +copying ase/test/testdata/aims/preamble_fail.out -> build/lib/ase/test/testdata/aims copying ase/test/testdata/aims/relax.out -> build/lib/ase/test/testdata/aims -copying ase/test/testdata/onetep_include_nested.dat -> build/lib/ase/test/testdata +copying ase/test/testdata/aims/socket.out -> build/lib/ase/test/testdata/aims +copying ase/test/testdata/aims/DFPT_dielectric.out -> build/lib/ase/test/testdata/aims creating build/lib/ase/test/testdata/minerals copying ase/test/testdata/minerals/cod_9007661.cif -> build/lib/ase/test/testdata/minerals -copying ase/test/testdata/minerals/cod_9001665.cif -> build/lib/ase/test/testdata/minerals +copying ase/test/testdata/minerals/cod_1010930.cif -> build/lib/ase/test/testdata/minerals copying ase/test/testdata/minerals/cod_1010995.cif -> build/lib/ase/test/testdata/minerals copying ase/test/testdata/minerals/cod_9004218.cif -> build/lib/ase/test/testdata/minerals +copying ase/test/testdata/minerals/cod_9007640.cif -> build/lib/ase/test/testdata/minerals copying ase/test/testdata/minerals/cod_9004112.cif -> build/lib/ase/test/testdata/minerals copying ase/test/testdata/minerals/cod_9017338.cif -> build/lib/ase/test/testdata/minerals -copying ase/test/testdata/minerals/cod_1010930.cif -> build/lib/ase/test/testdata/minerals -copying ase/test/testdata/minerals/cod_9007640.cif -> build/lib/ase/test/testdata/minerals +copying ase/test/testdata/minerals/cod_9001665.cif -> build/lib/ase/test/testdata/minerals +copying ase/test/testdata/lammpslib_simple_input.data -> build/lib/ase/test/testdata +copying ase/test/testdata/large_atoms.magres -> build/lib/ase/test/testdata +creating build/lib/ase/test/testdata/octopus +copying ase/test/testdata/octopus/periodic_systems_30-stress.05-output_scf_info -> build/lib/ase/test/testdata/octopus +copying ase/test/testdata/octopus/linear_response_02-h2o_pol_lr.01_h2o_gs_info -> build/lib/ase/test/testdata/octopus +copying ase/test/testdata/octopus/periodic_systems_03-sodium_chain.02-unocc_eigenvalues -> build/lib/ase/test/testdata/octopus +copying ase/test/testdata/octopus/periodic_systems_25-Fe_polarized.01-gs_info -> build/lib/ase/test/testdata/octopus copying ase/test/testdata/gpaw_expected_text_output -> build/lib/ase/test/testdata +copying ase/test/testdata/rotated_bz.png -> build/lib/ase/test/testdata +copying ase/test/testdata/onetep_include.dat -> build/lib/ase/test/testdata copying ase/test/testdata/qbox_test.xml -> build/lib/ase/test/testdata -copying ase/test/testdata/README.md -> build/lib/ase/test/testdata -creating build/lib/ase/test/testdata/nwchem -copying ase/test/testdata/nwchem/snippet_multipole_7.0.2-intel.nwo -> build/lib/ase/test/testdata/nwchem -copying ase/test/testdata/nwchem/snippet_multipole_7.0.2-gcc.nwo -> build/lib/ase/test/testdata/nwchem -copying ase/test/testdata/large_atoms.magres -> build/lib/ase/test/testdata +copying ase/test/testdata/lammpsdata_input.data -> build/lib/ase/test/testdata +creating build/lib/ase/test/testdata/io/eon +copying ase/test/testdata/io/eon/single.con -> build/lib/ase/test/testdata/io/eon +copying ase/test/testdata/io/eon/multi.con -> build/lib/ase/test/testdata/io/eon +copying ase/test/testdata/172_defs.par -> build/lib/ase/test/testdata creating build/lib/ase/gui/po copying ase/gui/po/Makefile -> build/lib/ase/gui/po +creating build/lib/ase/gui/po/zh_CN/LC_MESSAGES +copying ase/gui/po/zh_CN/LC_MESSAGES/ag.po -> build/lib/ase/gui/po/zh_CN/LC_MESSAGES +creating build/lib/ase/gui/po/eu/LC_MESSAGES +copying ase/gui/po/eu/LC_MESSAGES/ag.po -> build/lib/ase/gui/po/eu/LC_MESSAGES +creating build/lib/ase/gui/po/de/LC_MESSAGES +copying ase/gui/po/de/LC_MESSAGES/ag.po -> build/lib/ase/gui/po/de/LC_MESSAGES +creating build/lib/ase/gui/po/en_GB/LC_MESSAGES +copying ase/gui/po/en_GB/LC_MESSAGES/ag.po -> build/lib/ase/gui/po/en_GB/LC_MESSAGES creating build/lib/ase/gui/po/gl/LC_MESSAGES copying ase/gui/po/gl/LC_MESSAGES/ag.po -> build/lib/ase/gui/po/gl/LC_MESSAGES +creating build/lib/ase/gui/po/fr/LC_MESSAGES +copying ase/gui/po/fr/LC_MESSAGES/ag.po -> build/lib/ase/gui/po/fr/LC_MESSAGES +creating build/lib/ase/gui/po/sv/LC_MESSAGES +copying ase/gui/po/sv/LC_MESSAGES/ag.po -> build/lib/ase/gui/po/sv/LC_MESSAGES creating build/lib/ase/gui/po/es/LC_MESSAGES copying ase/gui/po/es/LC_MESSAGES/ag.po -> build/lib/ase/gui/po/es/LC_MESSAGES creating build/lib/ase/gui/po/da/LC_MESSAGES copying ase/gui/po/da/LC_MESSAGES/ag.po -> build/lib/ase/gui/po/da/LC_MESSAGES creating build/lib/ase/gui/po/fi/LC_MESSAGES copying ase/gui/po/fi/LC_MESSAGES/ag.po -> build/lib/ase/gui/po/fi/LC_MESSAGES -creating build/lib/ase/gui/po/en_GB/LC_MESSAGES -copying ase/gui/po/en_GB/LC_MESSAGES/ag.po -> build/lib/ase/gui/po/en_GB/LC_MESSAGES -creating build/lib/ase/gui/po/zh_CN/LC_MESSAGES -copying ase/gui/po/zh_CN/LC_MESSAGES/ag.po -> build/lib/ase/gui/po/zh_CN/LC_MESSAGES -creating build/lib/ase/gui/po/fr/LC_MESSAGES -copying ase/gui/po/fr/LC_MESSAGES/ag.po -> build/lib/ase/gui/po/fr/LC_MESSAGES -creating build/lib/ase/gui/po/eu/LC_MESSAGES -copying ase/gui/po/eu/LC_MESSAGES/ag.po -> build/lib/ase/gui/po/eu/LC_MESSAGES -creating build/lib/ase/gui/po/sv/LC_MESSAGES -copying ase/gui/po/sv/LC_MESSAGES/ag.po -> build/lib/ase/gui/po/sv/LC_MESSAGES creating build/lib/ase/gui/po/ru/LC_MESSAGES copying ase/gui/po/ru/LC_MESSAGES/ag.po -> build/lib/ase/gui/po/ru/LC_MESSAGES -creating build/lib/ase/gui/po/de/LC_MESSAGES -copying ase/gui/po/de/LC_MESSAGES/ag.po -> build/lib/ase/gui/po/de/LC_MESSAGES msgfmt (GNU gettext-tools) 0.23.1 Copyright (C) 1995-2024 Free Software Foundation, Inc. License GPLv3+: GNU GPL version 3 or later @@ -3144,980 +3180,976 @@ running install_lib creating build/bdist.linux-i686/wheel creating build/bdist.linux-i686/wheel/ase -copying build/lib/ase/eos.py -> build/bdist.linux-i686/wheel/./ase -copying build/lib/ase/dyneb.py -> build/bdist.linux-i686/wheel/./ase -creating build/bdist.linux-i686/wheel/ase/io -copying build/lib/ase/io/db.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/cjson.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/cfg.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/aims.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/gaussian.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/siesta.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/wien2k.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/espresso.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/opls.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/formats.py -> build/bdist.linux-i686/wheel/./ase/io -creating build/bdist.linux-i686/wheel/ase/io/espresso_namelist -copying build/lib/ase/io/espresso_namelist/keys.py -> build/bdist.linux-i686/wheel/./ase/io/espresso_namelist -copying build/lib/ase/io/espresso_namelist/namelist.py -> build/bdist.linux-i686/wheel/./ase/io/espresso_namelist -copying build/lib/ase/io/espresso_namelist/__init__.py -> build/bdist.linux-i686/wheel/./ase/io/espresso_namelist -copying build/lib/ase/io/xsf.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/dftb.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/jsv.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/magres.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/cube.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/mustem.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/prismatic.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/mol.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/dacapo.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/trajectory.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/vtkxml.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/gen.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/gpw.py -> build/bdist.linux-i686/wheel/./ase/io -creating build/bdist.linux-i686/wheel/ase/io/octopus -copying build/lib/ase/io/octopus/__init__.py -> build/bdist.linux-i686/wheel/./ase/io/octopus -copying build/lib/ase/io/octopus/input.py -> build/bdist.linux-i686/wheel/./ase/io/octopus -copying build/lib/ase/io/octopus/output.py -> build/bdist.linux-i686/wheel/./ase/io/octopus -copying build/lib/ase/io/elk.py -> build/bdist.linux-i686/wheel/./ase/io -creating build/bdist.linux-i686/wheel/ase/io/castep -copying build/lib/ase/io/castep/__init__.py -> build/bdist.linux-i686/wheel/./ase/io/castep -copying build/lib/ase/io/castep/castep_reader.py -> build/bdist.linux-i686/wheel/./ase/io/castep -copying build/lib/ase/io/castep/castep_input_file.py -> build/bdist.linux-i686/wheel/./ase/io/castep -copying build/lib/ase/io/vasp.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/cif_unicode.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/extxyz.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/pickletrajectory.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/cmdft.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/gamess_us.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/dmol.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/crystal.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/lammpsrun.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/nomad_json.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/res.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/gpaw_out.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/__init__.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/jsonio.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/turbomole.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/aff.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/siesta_input.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/dlp4.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/cif.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/py.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/lammpsdata.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/x3d.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/gpumd.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/gromacs.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/orca.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/sdf.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/png.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/utils.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/xsd.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/eps.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/onetep.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/bytes.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/exciting.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/bader.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/proteindatabank.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/rmc6f.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/eon.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/pov.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/cp2k.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/bundletrajectory.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/sys.py -> build/bdist.linux-i686/wheel/./ase/io -creating build/bdist.linux-i686/wheel/ase/io/vasp_parsers -copying build/lib/ase/io/vasp_parsers/incar_writer.py -> build/bdist.linux-i686/wheel/./ase/io/vasp_parsers -copying build/lib/ase/io/vasp_parsers/vasp_outcar_parsers.py -> build/bdist.linux-i686/wheel/./ase/io/vasp_parsers -copying build/lib/ase/io/vasp_parsers/__init__.py -> build/bdist.linux-i686/wheel/./ase/io/vasp_parsers -copying build/lib/ase/io/qbox.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/abinit.py -> build/bdist.linux-i686/wheel/./ase/io -creating build/bdist.linux-i686/wheel/ase/io/nwchem -copying build/lib/ase/io/nwchem/nwreader.py -> build/bdist.linux-i686/wheel/./ase/io/nwchem -copying build/lib/ase/io/nwchem/parser.py -> build/bdist.linux-i686/wheel/./ase/io/nwchem -copying build/lib/ase/io/nwchem/__init__.py -> build/bdist.linux-i686/wheel/./ase/io/nwchem -copying build/lib/ase/io/nwchem/nwwriter.py -> build/bdist.linux-i686/wheel/./ase/io/nwchem -copying build/lib/ase/io/nwchem/nwreader_in.py -> build/bdist.linux-i686/wheel/./ase/io/nwchem -copying build/lib/ase/io/animation.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/netcdftrajectory.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/amber.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/v_sim.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/wannier90.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/siesta_output.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/ulm.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/findsym.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/xyz.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/gromos.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/zmatrix.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/bundlemanipulate.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/xtd.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/io/acemolecule.py -> build/bdist.linux-i686/wheel/./ase/io -copying build/lib/ase/phonons.py -> build/bdist.linux-i686/wheel/./ase -copying build/lib/ase/symbols.py -> build/bdist.linux-i686/wheel/./ase -creating build/bdist.linux-i686/wheel/ase/spectrum -copying build/lib/ase/spectrum/dosdata.py -> build/bdist.linux-i686/wheel/./ase/spectrum -copying build/lib/ase/spectrum/__init__.py -> build/bdist.linux-i686/wheel/./ase/spectrum -copying build/lib/ase/spectrum/doscollection.py -> build/bdist.linux-i686/wheel/./ase/spectrum -copying build/lib/ase/spectrum/band_structure.py -> build/bdist.linux-i686/wheel/./ase/spectrum +copying build/lib/ase/dimer.py -> build/bdist.linux-i686/wheel/./ase creating build/bdist.linux-i686/wheel/ase/cli -copying build/lib/ase/cli/db.py -> build/bdist.linux-i686/wheel/./ase/cli -copying build/lib/ase/cli/nebplot.py -> build/bdist.linux-i686/wheel/./ase/cli -copying build/lib/ase/cli/convert.py -> build/bdist.linux-i686/wheel/./ase/cli +copying build/lib/ase/cli/exec.py -> build/bdist.linux-i686/wheel/./ase/cli copying build/lib/ase/cli/complete.py -> build/bdist.linux-i686/wheel/./ase/cli copying build/lib/ase/cli/dimensionality.py -> build/bdist.linux-i686/wheel/./ase/cli -copying build/lib/ase/cli/template.py -> build/bdist.linux-i686/wheel/./ase/cli -copying build/lib/ase/cli/nomadget.py -> build/bdist.linux-i686/wheel/./ase/cli +copying build/lib/ase/cli/ulm.py -> build/bdist.linux-i686/wheel/./ase/cli copying build/lib/ase/cli/build.py -> build/bdist.linux-i686/wheel/./ase/cli +copying build/lib/ase/cli/find.py -> build/bdist.linux-i686/wheel/./ase/cli +copying build/lib/ase/cli/nomadget.py -> build/bdist.linux-i686/wheel/./ase/cli +copying build/lib/ase/cli/convert.py -> build/bdist.linux-i686/wheel/./ase/cli +copying build/lib/ase/cli/db.py -> build/bdist.linux-i686/wheel/./ase/cli copying build/lib/ase/cli/diff.py -> build/bdist.linux-i686/wheel/./ase/cli copying build/lib/ase/cli/nomad.py -> build/bdist.linux-i686/wheel/./ase/cli -copying build/lib/ase/cli/exec.py -> build/bdist.linux-i686/wheel/./ase/cli -copying build/lib/ase/cli/find.py -> build/bdist.linux-i686/wheel/./ase/cli -copying build/lib/ase/cli/__init__.py -> build/bdist.linux-i686/wheel/./ase/cli +copying build/lib/ase/cli/nebplot.py -> build/bdist.linux-i686/wheel/./ase/cli +copying build/lib/ase/cli/band_structure.py -> build/bdist.linux-i686/wheel/./ase/cli +copying build/lib/ase/cli/template.py -> build/bdist.linux-i686/wheel/./ase/cli +copying build/lib/ase/cli/reciprocal.py -> build/bdist.linux-i686/wheel/./ase/cli copying build/lib/ase/cli/completion.py -> build/bdist.linux-i686/wheel/./ase/cli -copying build/lib/ase/cli/run.py -> build/bdist.linux-i686/wheel/./ase/cli +copying build/lib/ase/cli/__init__.py -> build/bdist.linux-i686/wheel/./ase/cli copying build/lib/ase/cli/info.py -> build/bdist.linux-i686/wheel/./ase/cli -copying build/lib/ase/cli/reciprocal.py -> build/bdist.linux-i686/wheel/./ase/cli +copying build/lib/ase/cli/run.py -> build/bdist.linux-i686/wheel/./ase/cli copying build/lib/ase/cli/main.py -> build/bdist.linux-i686/wheel/./ase/cli -copying build/lib/ase/cli/band_structure.py -> build/bdist.linux-i686/wheel/./ase/cli -copying build/lib/ase/cli/ulm.py -> build/bdist.linux-i686/wheel/./ase/cli -creating build/bdist.linux-i686/wheel/ase/visualize -copying build/lib/ase/visualize/mlab.py -> build/bdist.linux-i686/wheel/./ase/visualize -copying build/lib/ase/visualize/sage.py -> build/bdist.linux-i686/wheel/./ase/visualize -copying build/lib/ase/visualize/ngl.py -> build/bdist.linux-i686/wheel/./ase/visualize -copying build/lib/ase/visualize/viewers.py -> build/bdist.linux-i686/wheel/./ase/visualize -copying build/lib/ase/visualize/__init__.py -> build/bdist.linux-i686/wheel/./ase/visualize -copying build/lib/ase/visualize/x3d.py -> build/bdist.linux-i686/wheel/./ase/visualize -copying build/lib/ase/visualize/paraview_script.py -> build/bdist.linux-i686/wheel/./ase/visualize -copying build/lib/ase/visualize/plot.py -> build/bdist.linux-i686/wheel/./ase/visualize -copying build/lib/ase/parallel.py -> build/bdist.linux-i686/wheel/./ase -copying build/lib/ase/pourbaix.py -> build/bdist.linux-i686/wheel/./ase -creating build/bdist.linux-i686/wheel/ase/mep -copying build/lib/ase/mep/dyneb.py -> build/bdist.linux-i686/wheel/./ase/mep -copying build/lib/ase/mep/__init__.py -> build/bdist.linux-i686/wheel/./ase/mep -copying build/lib/ase/mep/dimer.py -> build/bdist.linux-i686/wheel/./ase/mep -copying build/lib/ase/mep/autoneb.py -> build/bdist.linux-i686/wheel/./ase/mep -copying build/lib/ase/mep/neb.py -> build/bdist.linux-i686/wheel/./ase/mep -copying build/lib/ase/__main__.py -> build/bdist.linux-i686/wheel/./ase +copying build/lib/ase/formula.py -> build/bdist.linux-i686/wheel/./ase +creating build/bdist.linux-i686/wheel/ase/cluster +copying build/lib/ase/cluster/hexagonal.py -> build/bdist.linux-i686/wheel/./ase/cluster +copying build/lib/ase/cluster/cluster.py -> build/bdist.linux-i686/wheel/./ase/cluster +copying build/lib/ase/cluster/base.py -> build/bdist.linux-i686/wheel/./ase/cluster +copying build/lib/ase/cluster/compounds.py -> build/bdist.linux-i686/wheel/./ase/cluster +copying build/lib/ase/cluster/cubic.py -> build/bdist.linux-i686/wheel/./ase/cluster +copying build/lib/ase/cluster/wulff.py -> build/bdist.linux-i686/wheel/./ase/cluster +copying build/lib/ase/cluster/util.py -> build/bdist.linux-i686/wheel/./ase/cluster +copying build/lib/ase/cluster/__init__.py -> build/bdist.linux-i686/wheel/./ase/cluster +copying build/lib/ase/cluster/octahedron.py -> build/bdist.linux-i686/wheel/./ase/cluster +copying build/lib/ase/cluster/factory.py -> build/bdist.linux-i686/wheel/./ase/cluster +copying build/lib/ase/cluster/icosahedron.py -> build/bdist.linux-i686/wheel/./ase/cluster +copying build/lib/ase/cluster/decahedron.py -> build/bdist.linux-i686/wheel/./ase/cluster creating build/bdist.linux-i686/wheel/ase/test -copying build/lib/ase/test/test_example.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_ptable.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_singlepointcalc.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_bandpath_kpts_axis.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_things.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_structure_comparator.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_dependency_list.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_forcecurve.py -> build/bdist.linux-i686/wheel/./ase/test -creating build/bdist.linux-i686/wheel/ase/test/spectrum -copying build/lib/ase/test/spectrum/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/spectrum -copying build/lib/ase/test/spectrum/test_dosdata.py -> build/bdist.linux-i686/wheel/./ase/test/spectrum -copying build/lib/ase/test/spectrum/test_doscollection.py -> build/bdist.linux-i686/wheel/./ase/test/spectrum -copying build/lib/ase/test/test_singlepoint_dft_calc.py -> build/bdist.linux-i686/wheel/./ase/test creating build/bdist.linux-i686/wheel/ase/test/cli -copying build/lib/ase/test/cli/test_dimensionality.py -> build/bdist.linux-i686/wheel/./ase/test/cli -copying build/lib/ase/test/cli/test_complete.py -> build/bdist.linux-i686/wheel/./ase/test/cli -copying build/lib/ase/test/cli/test_convert.py -> build/bdist.linux-i686/wheel/./ase/test/cli +copying build/lib/ase/test/cli/test_run.py -> build/bdist.linux-i686/wheel/./ase/test/cli +copying build/lib/ase/test/cli/test_imports.py -> build/bdist.linux-i686/wheel/./ase/test/cli copying build/lib/ase/test/cli/test_info.py -> build/bdist.linux-i686/wheel/./ase/test/cli -copying build/lib/ase/test/cli/test_bzplot.py -> build/bdist.linux-i686/wheel/./ase/test/cli copying build/lib/ase/test/cli/test_bandstructure.py -> build/bdist.linux-i686/wheel/./ase/test/cli -copying build/lib/ase/test/cli/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/cli -copying build/lib/ase/test/cli/test_imports.py -> build/bdist.linux-i686/wheel/./ase/test/cli copying build/lib/ase/test/cli/test_diff.py -> build/bdist.linux-i686/wheel/./ase/test/cli -copying build/lib/ase/test/cli/test_exec.py -> build/bdist.linux-i686/wheel/./ase/test/cli +copying build/lib/ase/test/cli/test_convert.py -> build/bdist.linux-i686/wheel/./ase/test/cli +copying build/lib/ase/test/cli/test_complete.py -> build/bdist.linux-i686/wheel/./ase/test/cli +copying build/lib/ase/test/cli/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/cli +copying build/lib/ase/test/cli/test_bzplot.py -> build/bdist.linux-i686/wheel/./ase/test/cli copying build/lib/ase/test/cli/test_ag.py -> build/bdist.linux-i686/wheel/./ase/test/cli -copying build/lib/ase/test/cli/test_run.py -> build/bdist.linux-i686/wheel/./ase/test/cli -copying build/lib/ase/test/test_parsemath.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/pytest.ini -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_dos.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_util.py -> build/bdist.linux-i686/wheel/./ase/test -creating build/bdist.linux-i686/wheel/ase/test/standardization -copying build/lib/ase/test/standardization/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/standardization -copying build/lib/ase/test/standardization/test_properties.py -> build/bdist.linux-i686/wheel/./ase/test/standardization -copying build/lib/ase/test/test_stm.py -> build/bdist.linux-i686/wheel/./ase/test -creating build/bdist.linux-i686/wheel/ase/test/atoms -copying build/lib/ase/test/atoms/test_atoms_angle.py -> build/bdist.linux-i686/wheel/./ase/test/atoms -copying build/lib/ase/test/atoms/test_rotate.py -> build/bdist.linux-i686/wheel/./ase/test/atoms -copying build/lib/ase/test/atoms/test_atom.py -> build/bdist.linux-i686/wheel/./ase/test/atoms -copying build/lib/ase/test/atoms/test_atoms_get_duplicates.py -> build/bdist.linux-i686/wheel/./ase/test/atoms -copying build/lib/ase/test/atoms/test_center_nonperiodic.py -> build/bdist.linux-i686/wheel/./ase/test/atoms -copying build/lib/ase/test/atoms/test_center.py -> build/bdist.linux-i686/wheel/./ase/test/atoms -copying build/lib/ase/test/atoms/test_atoms.py -> build/bdist.linux-i686/wheel/./ase/test/atoms -copying build/lib/ase/test/atoms/test_h2.py -> build/bdist.linux-i686/wheel/./ase/test/atoms -copying build/lib/ase/test/atoms/test_rotate_euler.py -> build/bdist.linux-i686/wheel/./ase/test/atoms -copying build/lib/ase/test/atoms/test_permute_axes.py -> build/bdist.linux-i686/wheel/./ase/test/atoms -copying build/lib/ase/test/atoms/test_build.py -> build/bdist.linux-i686/wheel/./ase/test/atoms -copying build/lib/ase/test/atoms/test_set_get_angle.py -> build/bdist.linux-i686/wheel/./ase/test/atoms -copying build/lib/ase/test/atoms/test_atoms_instantiation.py -> build/bdist.linux-i686/wheel/./ase/test/atoms -copying build/lib/ase/test/atoms/test_atoms_distance.py -> build/bdist.linux-i686/wheel/./ase/test/atoms -copying build/lib/ase/test/atoms/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/atoms -copying build/lib/ase/test/atoms/test_atom_scaled_pos.py -> build/bdist.linux-i686/wheel/./ase/test/atoms -copying build/lib/ase/test/atoms/test_mic.py -> build/bdist.linux-i686/wheel/./ase/test/atoms -copying build/lib/ase/test/atoms/test_atoms_getitem.py -> build/bdist.linux-i686/wheel/./ase/test/atoms -copying build/lib/ase/test/atoms/test_scaled_positions.py -> build/bdist.linux-i686/wheel/./ase/test/atoms -copying build/lib/ase/test/atoms/test_atoms_indices.py -> build/bdist.linux-i686/wheel/./ase/test/atoms -copying build/lib/ase/test/atoms/test_get_angles.py -> build/bdist.linux-i686/wheel/./ase/test/atoms -copying build/lib/ase/test/atoms/test_atoms_formula.py -> build/bdist.linux-i686/wheel/./ase/test/atoms -copying build/lib/ase/test/atoms/test_deprecated_get_set.py -> build/bdist.linux-i686/wheel/./ase/test/atoms -copying build/lib/ase/test/atoms/test_atoms_get_positions.py -> build/bdist.linux-i686/wheel/./ase/test/atoms -copying build/lib/ase/test/atoms/test_atoms_info_copy.py -> build/bdist.linux-i686/wheel/./ase/test/atoms -copying build/lib/ase/test/atoms/test_compare_atoms.py -> build/bdist.linux-i686/wheel/./ase/test/atoms -copying build/lib/ase/test/atoms/test_momenta_velocities.py -> build/bdist.linux-i686/wheel/./ase/test/atoms -copying build/lib/ase/test/test_pourbaix.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_xrdebye.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_matplotlib_plot.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_s22.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_calc_outputs_big.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_stress.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_external_viewer.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_calculator_equal.py -> build/bdist.linux-i686/wheel/./ase/test -creating build/bdist.linux-i686/wheel/ase/test/neighbor -copying build/lib/ase/test/neighbor/test_neighbor_initialization.py -> build/bdist.linux-i686/wheel/./ase/test/neighbor -copying build/lib/ase/test/neighbor/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/neighbor -copying build/lib/ase/test/neighbor/test_neighbor.py -> build/bdist.linux-i686/wheel/./ase/test/neighbor -copying build/lib/ase/test/neighbor/test_neighbor_kernel.py -> build/bdist.linux-i686/wheel/./ase/test/neighbor -copying build/lib/ase/test/test_thermochemistry.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_calculator_label.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_springcalc.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_zmatrix.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_units.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_checkpoint.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_issue276.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/cli/test_dimensionality.py -> build/bdist.linux-i686/wheel/./ase/test/cli +copying build/lib/ase/test/cli/test_exec.py -> build/bdist.linux-i686/wheel/./ase/test/cli copying build/lib/ase/test/test_potential_energies.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/conftest.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_grid_slice.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_phasediagram.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_cutoffs.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_basin.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_phonons.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_lattice_lindep.py -> build/bdist.linux-i686/wheel/./ase/test -creating build/bdist.linux-i686/wheel/ase/test/spacegroup -copying build/lib/ase/test/spacegroup/test_space_group_data.py -> build/bdist.linux-i686/wheel/./ase/test/spacegroup -copying build/lib/ase/test/spacegroup/test_spacegroup_utils.py -> build/bdist.linux-i686/wheel/./ase/test/spacegroup -copying build/lib/ase/test/spacegroup/test_spacegroup_crystal.py -> build/bdist.linux-i686/wheel/./ase/test/spacegroup -copying build/lib/ase/test/spacegroup/test_minerals.py -> build/bdist.linux-i686/wheel/./ase/test/spacegroup -copying build/lib/ase/test/spacegroup/test_spacegroup.py -> build/bdist.linux-i686/wheel/./ase/test/spacegroup -copying build/lib/ase/test/spacegroup/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/spacegroup -creating build/bdist.linux-i686/wheel/ase/test/bravais -copying build/lib/ase/test/bravais/test_2d_cell_pbc.py -> build/bdist.linux-i686/wheel/./ase/test/bravais -copying build/lib/ase/test/bravais/test_line_lattice.py -> build/bdist.linux-i686/wheel/./ase/test/bravais -copying build/lib/ase/test/bravais/test_eps.py -> build/bdist.linux-i686/wheel/./ase/test/bravais -copying build/lib/ase/test/bravais/test_standard_form.py -> build/bdist.linux-i686/wheel/./ase/test/bravais -copying build/lib/ase/test/bravais/test_bravais_type_engine.py -> build/bdist.linux-i686/wheel/./ase/test/bravais -copying build/lib/ase/test/bravais/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/bravais -copying build/lib/ase/test/bravais/test_reduce.py -> build/bdist.linux-i686/wheel/./ase/test/bravais -copying build/lib/ase/test/bravais/test_hex.py -> build/bdist.linux-i686/wheel/./ase/test/bravais -copying build/lib/ase/test/bravais/test_main.py -> build/bdist.linux-i686/wheel/./ase/test/bravais -copying build/lib/ase/test/bravais/test_lattices.py -> build/bdist.linux-i686/wheel/./ase/test/bravais -copying build/lib/ase/test/bravais/test_orcc_mcl.py -> build/bdist.linux-i686/wheel/./ase/test/bravais -copying build/lib/ase/test/test_lock.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_diffusion_coefficient.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_cluster.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_gromacs.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_kpts2kpts.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_timing.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_root_surf.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_x3d.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_calculator_equal.py -> build/bdist.linux-i686/wheel/./ase/test creating build/bdist.linux-i686/wheel/ase/test/neb -copying build/lib/ase/test/neb/test_interpolate_images.py -> build/bdist.linux-i686/wheel/./ase/test/neb -copying build/lib/ase/test/neb/test_COCu111.py -> build/bdist.linux-i686/wheel/./ase/test/neb copying build/lib/ase/test/neb/test_neb_tr.py -> build/bdist.linux-i686/wheel/./ase/test/neb -copying build/lib/ase/test/neb/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/neb -copying build/lib/ase/test/neb/test_shared_calculator_neb.py -> build/bdist.linux-i686/wheel/./ase/test/neb -copying build/lib/ase/test/neb/test_precon_neb.py -> build/bdist.linux-i686/wheel/./ase/test/neb copying build/lib/ase/test/neb/test_COCu111_2.py -> build/bdist.linux-i686/wheel/./ase/test/neb +copying build/lib/ase/test/neb/test_precon_neb.py -> build/bdist.linux-i686/wheel/./ase/test/neb copying build/lib/ase/test/neb/test_dynamic_neb.py -> build/bdist.linux-i686/wheel/./ase/test/neb copying build/lib/ase/test/neb/test_autoneb.py -> build/bdist.linux-i686/wheel/./ase/test/neb +copying build/lib/ase/test/neb/test_COCu111.py -> build/bdist.linux-i686/wheel/./ase/test/neb +copying build/lib/ase/test/neb/test_interpolate_images.py -> build/bdist.linux-i686/wheel/./ase/test/neb +copying build/lib/ase/test/neb/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/neb +copying build/lib/ase/test/neb/test_shared_calculator_neb.py -> build/bdist.linux-i686/wheel/./ase/test/neb copying build/lib/ase/test/neb/test_idpp.py -> build/bdist.linux-i686/wheel/./ase/test/neb -copying build/lib/ase/test/test_mixingcalc.py -> build/bdist.linux-i686/wheel/./ase/test -creating build/bdist.linux-i686/wheel/ase/test/gui -copying build/lib/ase/test/gui/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/gui -copying build/lib/ase/test/gui/test_run.py -> build/bdist.linux-i686/wheel/./ase/test/gui -copying build/lib/ase/test/test_makebandpath.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_xwopen.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_eos.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/conftest.py -> build/bdist.linux-i686/wheel/./ase/test +creating build/bdist.linux-i686/wheel/ase/test/emt +copying build/lib/ase/test/emt/test_emt_stress.py -> build/bdist.linux-i686/wheel/./ase/test/emt +copying build/lib/ase/test/emt/test_emt_h3o2m.py -> build/bdist.linux-i686/wheel/./ase/test/emt +copying build/lib/ase/test/emt/test_emt2.py -> build/bdist.linux-i686/wheel/./ase/test/emt +copying build/lib/ase/test/emt/test_emt.py -> build/bdist.linux-i686/wheel/./ase/test/emt +copying build/lib/ase/test/emt/test_emt1.py -> build/bdist.linux-i686/wheel/./ase/test/emt +copying build/lib/ase/test/emt/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/emt +copying build/lib/ase/test/pytest.ini -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_properties.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_imports.py -> build/bdist.linux-i686/wheel/./ase/test +creating build/bdist.linux-i686/wheel/ase/test/transport +copying build/lib/ase/test/transport/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/transport +copying build/lib/ase/test/transport/test_transport_calculator.py -> build/bdist.linux-i686/wheel/./ase/test/transport +creating build/bdist.linux-i686/wheel/ase/test/lammpsdata +copying build/lib/ase/test/lammpsdata/conftest.py -> build/bdist.linux-i686/wheel/./ase/test/lammpsdata +copying build/lib/ase/test/lammpsdata/parse_lammps_data_file.py -> build/bdist.linux-i686/wheel/./ase/test/lammpsdata +copying build/lib/ase/test/lammpsdata/test_read_connectivity.py -> build/bdist.linux-i686/wheel/./ase/test/lammpsdata +copying build/lib/ase/test/lammpsdata/test_write_and_read.py -> build/bdist.linux-i686/wheel/./ase/test/lammpsdata +copying build/lib/ase/test/lammpsdata/test_lammpsdata_write.py -> build/bdist.linux-i686/wheel/./ase/test/lammpsdata +copying build/lib/ase/test/lammpsdata/test_lammpsdata_read.py -> build/bdist.linux-i686/wheel/./ase/test/lammpsdata +copying build/lib/ase/test/lammpsdata/comparison.py -> build/bdist.linux-i686/wheel/./ase/test/lammpsdata +copying build/lib/ase/test/lammpsdata/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/lammpsdata +copying build/lib/ase/test/test_dimer_method.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_formula.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_minimum_image_convention.py -> build/bdist.linux-i686/wheel/./ase/test +creating build/bdist.linux-i686/wheel/ase/test/md +copying build/lib/ase/test/md/test_langevin_com.py -> build/bdist.linux-i686/wheel/./ase/test/md +copying build/lib/ase/test/md/test_verlet_thermostats_asap.py -> build/bdist.linux-i686/wheel/./ase/test/md +copying build/lib/ase/test/md/test_phonon_md_init.py -> build/bdist.linux-i686/wheel/./ase/test/md +copying build/lib/ase/test/md/test_langevin_asapcompat.py -> build/bdist.linux-i686/wheel/./ase/test/md +copying build/lib/ase/test/md/test_bussi.py -> build/bdist.linux-i686/wheel/./ase/test/md +copying build/lib/ase/test/md/test_ce_curvature.py -> build/bdist.linux-i686/wheel/./ase/test/md +copying build/lib/ase/test/md/test_maxwellboltzmann.py -> build/bdist.linux-i686/wheel/./ase/test/md +copying build/lib/ase/test/md/test_md_logger_interval.py -> build/bdist.linux-i686/wheel/./ase/test/md +copying build/lib/ase/test/md/test_md.py -> build/bdist.linux-i686/wheel/./ase/test/md +copying build/lib/ase/test/md/test_rng.py -> build/bdist.linux-i686/wheel/./ase/test/md +copying build/lib/ase/test/md/test_langevin_switching.py -> build/bdist.linux-i686/wheel/./ase/test/md +copying build/lib/ase/test/md/test_ce_potentiostat.py -> build/bdist.linux-i686/wheel/./ase/test/md +copying build/lib/ase/test/md/test_CO2linear_Au111_langevin.py -> build/bdist.linux-i686/wheel/./ase/test/md +copying build/lib/ase/test/md/test_velocity_distribution.py -> build/bdist.linux-i686/wheel/./ase/test/md +copying build/lib/ase/test/md/test_nose_hoover_chain.py -> build/bdist.linux-i686/wheel/./ase/test/md +copying build/lib/ase/test/md/test_md_logger.py -> build/bdist.linux-i686/wheel/./ase/test/md +copying build/lib/ase/test/md/test_nvt_npt.py -> build/bdist.linux-i686/wheel/./ase/test/md +copying build/lib/ase/test/md/test_ce_logging.py -> build/bdist.linux-i686/wheel/./ase/test/md +copying build/lib/ase/test/md/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/md +copying build/lib/ase/test/md/test_idealgas.py -> build/bdist.linux-i686/wheel/./ase/test/md +copying build/lib/ase/test/md/test_fixrotation.py -> build/bdist.linux-i686/wheel/./ase/test/md +copying build/lib/ase/test/test_forcecurve.py -> build/bdist.linux-i686/wheel/./ase/test +creating build/bdist.linux-i686/wheel/ase/test/forcefields +copying build/lib/ase/test/forcefields/test_qmmm.py -> build/bdist.linux-i686/wheel/./ase/test/forcefields +copying build/lib/ase/test/forcefields/test_utils_ff_vdw.py -> build/bdist.linux-i686/wheel/./ase/test/forcefields +copying build/lib/ase/test/forcefields/test_tipnp.py -> build/bdist.linux-i686/wheel/./ase/test/forcefields +copying build/lib/ase/test/forcefields/test_tip4p.py -> build/bdist.linux-i686/wheel/./ase/test/forcefields +copying build/lib/ase/test/forcefields/test_forceqmmm.py -> build/bdist.linux-i686/wheel/./ase/test/forcefields +copying build/lib/ase/test/forcefields/test_counterions.py -> build/bdist.linux-i686/wheel/./ase/test/forcefields +copying build/lib/ase/test/forcefields/test_rattle.py -> build/bdist.linux-i686/wheel/./ase/test/forcefields +copying build/lib/ase/test/forcefields/test_rattle_linear.py -> build/bdist.linux-i686/wheel/./ase/test/forcefields +copying build/lib/ase/test/forcefields/test_combine_mm.py -> build/bdist.linux-i686/wheel/./ase/test/forcefields +copying build/lib/ase/test/forcefields/test_aic.py -> build/bdist.linux-i686/wheel/./ase/test/forcefields +copying build/lib/ase/test/forcefields/test_acn.py -> build/bdist.linux-i686/wheel/./ase/test/forcefields +copying build/lib/ase/test/forcefields/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/forcefields +copying build/lib/ase/test/forcefields/test_qmmm_acn.py -> build/bdist.linux-i686/wheel/./ase/test/forcefields +copying build/lib/ase/test/forcefields/test_combine_mm2.py -> build/bdist.linux-i686/wheel/./ase/test/forcefields +copying build/lib/ase/test/test_structure_comparator.py -> build/bdist.linux-i686/wheel/./ase/test creating build/bdist.linux-i686/wheel/ase/test/optimize -copying build/lib/ase/test/optimize/test_fire.py -> build/bdist.linux-i686/wheel/./ase/test/optimize -copying build/lib/ase/test/optimize/test_bad_restart.py -> build/bdist.linux-i686/wheel/./ase/test/optimize -copying build/lib/ase/test/optimize/test_optimizer_restart.py -> build/bdist.linux-i686/wheel/./ase/test/optimize copying build/lib/ase/test/optimize/test_fire2.py -> build/bdist.linux-i686/wheel/./ase/test/optimize -copying build/lib/ase/test/optimize/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/optimize +copying build/lib/ase/test/optimize/test_maxstep.py -> build/bdist.linux-i686/wheel/./ase/test/optimize +copying build/lib/ase/test/optimize/test_cellawarebfgs.py -> build/bdist.linux-i686/wheel/./ase/test/optimize +copying build/lib/ase/test/optimize/test_replay.py -> build/bdist.linux-i686/wheel/./ase/test/optimize +copying build/lib/ase/test/optimize/test_optimizer_restart.py -> build/bdist.linux-i686/wheel/./ase/test/optimize copying build/lib/ase/test/optimize/test_optimizers.py -> build/bdist.linux-i686/wheel/./ase/test/optimize +copying build/lib/ase/test/optimize/test_optimize_stepwise.py -> build/bdist.linux-i686/wheel/./ase/test/optimize copying build/lib/ase/test/optimize/test_nsteps.py -> build/bdist.linux-i686/wheel/./ase/test/optimize -copying build/lib/ase/test/optimize/test_replay.py -> build/bdist.linux-i686/wheel/./ase/test/optimize +copying build/lib/ase/test/optimize/test_bad_restart.py -> build/bdist.linux-i686/wheel/./ase/test/optimize +copying build/lib/ase/test/optimize/test_fire.py -> build/bdist.linux-i686/wheel/./ase/test/optimize copying build/lib/ase/test/optimize/test_minimahop.py -> build/bdist.linux-i686/wheel/./ase/test/optimize -copying build/lib/ase/test/optimize/test_maxstep.py -> build/bdist.linux-i686/wheel/./ase/test/optimize -copying build/lib/ase/test/optimize/test_optimize_stepwise.py -> build/bdist.linux-i686/wheel/./ase/test/optimize copying build/lib/ase/test/optimize/test_climb_fix_internals.py -> build/bdist.linux-i686/wheel/./ase/test/optimize -copying build/lib/ase/test/optimize/test_cellawarebfgs.py -> build/bdist.linux-i686/wheel/./ase/test/optimize -copying build/lib/ase/test/test_doctests.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_loggingcalc.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/__init__.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_pubchem.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_imports.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_quaternions.py -> build/bdist.linux-i686/wheel/./ase/test -creating build/bdist.linux-i686/wheel/ase/test/emt -copying build/lib/ase/test/emt/test_emt_h3o2m.py -> build/bdist.linux-i686/wheel/./ase/test/emt -copying build/lib/ase/test/emt/test_emt1.py -> build/bdist.linux-i686/wheel/./ase/test/emt -copying build/lib/ase/test/emt/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/emt -copying build/lib/ase/test/emt/test_emt_stress.py -> build/bdist.linux-i686/wheel/./ase/test/emt -copying build/lib/ase/test/emt/test_emt.py -> build/bdist.linux-i686/wheel/./ase/test/emt -copying build/lib/ase/test/emt/test_emt2.py -> build/bdist.linux-i686/wheel/./ase/test/emt +copying build/lib/ase/test/optimize/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/optimize +copying build/lib/ase/test/test_singlepointcalc.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_x3d.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_stm.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_kpts2kpts.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_xrdebye.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_xwopen.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_lock.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_dos.py -> build/bdist.linux-i686/wheel/./ase/test +creating build/bdist.linux-i686/wheel/ase/test/neighbor +copying build/lib/ase/test/neighbor/test_neighbor_initialization.py -> build/bdist.linux-i686/wheel/./ase/test/neighbor +copying build/lib/ase/test/neighbor/test_neighbor_kernel.py -> build/bdist.linux-i686/wheel/./ase/test/neighbor +copying build/lib/ase/test/neighbor/test_neighbor.py -> build/bdist.linux-i686/wheel/./ase/test/neighbor +copying build/lib/ase/test/neighbor/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/neighbor +copying build/lib/ase/test/test_hcp.py -> build/bdist.linux-i686/wheel/./ase/test +creating build/bdist.linux-i686/wheel/ase/test/vibrations +copying build/lib/ase/test/vibrations/test_combine.py -> build/bdist.linux-i686/wheel/./ase/test/vibrations +copying build/lib/ase/test/vibrations/test_vib.py -> build/bdist.linux-i686/wheel/./ase/test/vibrations +copying build/lib/ase/test/vibrations/test_profeta_albrecht.py -> build/bdist.linux-i686/wheel/./ase/test/vibrations +copying build/lib/ase/test/vibrations/test_franck_condon.py -> build/bdist.linux-i686/wheel/./ase/test/vibrations +copying build/lib/ase/test/vibrations/test_pickle2json.py -> build/bdist.linux-i686/wheel/./ase/test/vibrations +copying build/lib/ase/test/vibrations/test_vibrations_example.py -> build/bdist.linux-i686/wheel/./ase/test/vibrations +copying build/lib/ase/test/vibrations/test_albrecht.py -> build/bdist.linux-i686/wheel/./ase/test/vibrations +copying build/lib/ase/test/vibrations/test_placzek.py -> build/bdist.linux-i686/wheel/./ase/test/vibrations +copying build/lib/ase/test/vibrations/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/vibrations +copying build/lib/ase/test/vibrations/test_bond_polarizability_raman.py -> build/bdist.linux-i686/wheel/./ase/test/vibrations +copying build/lib/ase/test/vibrations/test_folding.py -> build/bdist.linux-i686/wheel/./ase/test/vibrations +copying build/lib/ase/test/testsuite.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_bader.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_lattice_lindep.py -> build/bdist.linux-i686/wheel/./ase/test creating build/bdist.linux-i686/wheel/ase/test/constraints -copying build/lib/ase/test/constraints/test_fixbondlength_CO2_Au111.py -> build/bdist.linux-i686/wheel/./ase/test/constraints +copying build/lib/ase/test/constraints/test_CO2linear_Au111.py -> build/bdist.linux-i686/wheel/./ase/test/constraints +copying build/lib/ase/test/constraints/test_mirror.py -> build/bdist.linux-i686/wheel/./ase/test/constraints +copying build/lib/ase/test/constraints/test_hookean_pbc.py -> build/bdist.linux-i686/wheel/./ase/test/constraints +copying build/lib/ase/test/constraints/test_fix_symmetry.py -> build/bdist.linux-i686/wheel/./ase/test/constraints +copying build/lib/ase/test/constraints/test_hookean.py -> build/bdist.linux-i686/wheel/./ase/test/constraints +copying build/lib/ase/test/constraints/test_fixedmode.py -> build/bdist.linux-i686/wheel/./ase/test/constraints copying build/lib/ase/test/constraints/test_getindices.py -> build/bdist.linux-i686/wheel/./ase/test/constraints -copying build/lib/ase/test/constraints/test_fixcom.py -> build/bdist.linux-i686/wheel/./ase/test/constraints +copying build/lib/ase/test/constraints/test_fixinternals.py -> build/bdist.linux-i686/wheel/./ase/test/constraints copying build/lib/ase/test/constraints/test_external_force.py -> build/bdist.linux-i686/wheel/./ase/test/constraints +copying build/lib/ase/test/constraints/test_fixsubsetcom.py -> build/bdist.linux-i686/wheel/./ase/test/constraints copying build/lib/ase/test/constraints/test_setpos.py -> build/bdist.linux-i686/wheel/./ase/test/constraints -copying build/lib/ase/test/constraints/test_hookean.py -> build/bdist.linux-i686/wheel/./ase/test/constraints -copying build/lib/ase/test/constraints/test_fixedline_fixedplane.py -> build/bdist.linux-i686/wheel/./ase/test/constraints +copying build/lib/ase/test/constraints/test_fixcartesian.py -> build/bdist.linux-i686/wheel/./ase/test/constraints +copying build/lib/ase/test/constraints/test_fixatoms.py -> build/bdist.linux-i686/wheel/./ase/test/constraints +copying build/lib/ase/test/constraints/test_fixcom.py -> build/bdist.linux-i686/wheel/./ase/test/constraints +copying build/lib/ase/test/constraints/test_fixbonds.py -> build/bdist.linux-i686/wheel/./ase/test/constraints +copying build/lib/ase/test/constraints/test_fix_bond_length_mic.py -> build/bdist.linux-i686/wheel/./ase/test/constraints +copying build/lib/ase/test/constraints/test_fixbondlength_CO2_Au111.py -> build/bdist.linux-i686/wheel/./ase/test/constraints +copying build/lib/ase/test/constraints/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/constraints copying build/lib/ase/test/constraints/test_fixscaled.py -> build/bdist.linux-i686/wheel/./ase/test/constraints -copying build/lib/ase/test/constraints/test_repeat_FixAtoms.py -> build/bdist.linux-i686/wheel/./ase/test/constraints -copying build/lib/ase/test/constraints/test_hookean_pbc.py -> build/bdist.linux-i686/wheel/./ase/test/constraints +copying build/lib/ase/test/constraints/test_fixedline_fixedplane.py -> build/bdist.linux-i686/wheel/./ase/test/constraints copying build/lib/ase/test/constraints/test_negativeindex.py -> build/bdist.linux-i686/wheel/./ase/test/constraints -copying build/lib/ase/test/constraints/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/constraints -copying build/lib/ase/test/constraints/test_fix_symmetry.py -> build/bdist.linux-i686/wheel/./ase/test/constraints -copying build/lib/ase/test/constraints/test_fixsubsetcom.py -> build/bdist.linux-i686/wheel/./ase/test/constraints copying build/lib/ase/test/constraints/test_parameteric_constr.py -> build/bdist.linux-i686/wheel/./ase/test/constraints -copying build/lib/ase/test/constraints/test_fixbonds.py -> build/bdist.linux-i686/wheel/./ase/test/constraints -copying build/lib/ase/test/constraints/test_mirror.py -> build/bdist.linux-i686/wheel/./ase/test/constraints -copying build/lib/ase/test/constraints/test_CO2linear_Au111.py -> build/bdist.linux-i686/wheel/./ase/test/constraints -copying build/lib/ase/test/constraints/test_fixedmode.py -> build/bdist.linux-i686/wheel/./ase/test/constraints -copying build/lib/ase/test/constraints/test_fix_bond_length_mic.py -> build/bdist.linux-i686/wheel/./ase/test/constraints -copying build/lib/ase/test/constraints/test_fixatoms.py -> build/bdist.linux-i686/wheel/./ase/test/constraints -copying build/lib/ase/test/constraints/test_fixinternals.py -> build/bdist.linux-i686/wheel/./ase/test/constraints -copying build/lib/ase/test/constraints/test_fixcartesian.py -> build/bdist.linux-i686/wheel/./ase/test/constraints +copying build/lib/ase/test/constraints/test_repeat_FixAtoms.py -> build/bdist.linux-i686/wheel/./ase/test/constraints +copying build/lib/ase/test/test_nwchem_writer.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_doctests.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_versionnumber.py -> build/bdist.linux-i686/wheel/./ase/test +creating build/bdist.linux-i686/wheel/ase/test/gui +copying build/lib/ase/test/gui/test_run.py -> build/bdist.linux-i686/wheel/./ase/test/gui +copying build/lib/ase/test/gui/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/gui +copying build/lib/ase/test/test_thermochemistry.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_example.py -> build/bdist.linux-i686/wheel/./ase/test +creating build/bdist.linux-i686/wheel/ase/test/standardization +copying build/lib/ase/test/standardization/test_properties.py -> build/bdist.linux-i686/wheel/./ase/test/standardization +copying build/lib/ase/test/standardization/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/standardization +copying build/lib/ase/test/test_linesearch_maxstep.py -> build/bdist.linux-i686/wheel/./ase/test +creating build/bdist.linux-i686/wheel/ase/test/spacegroup +copying build/lib/ase/test/spacegroup/test_space_group_data.py -> build/bdist.linux-i686/wheel/./ase/test/spacegroup +copying build/lib/ase/test/spacegroup/test_spacegroup_crystal.py -> build/bdist.linux-i686/wheel/./ase/test/spacegroup +copying build/lib/ase/test/spacegroup/test_minerals.py -> build/bdist.linux-i686/wheel/./ase/test/spacegroup +copying build/lib/ase/test/spacegroup/test_spacegroup_utils.py -> build/bdist.linux-i686/wheel/./ase/test/spacegroup +copying build/lib/ase/test/spacegroup/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/spacegroup +copying build/lib/ase/test/spacegroup/test_spacegroup.py -> build/bdist.linux-i686/wheel/./ase/test/spacegroup +copying build/lib/ase/test/test_grid_slice.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_matplotlib_plot.py -> build/bdist.linux-i686/wheel/./ase/test +creating build/bdist.linux-i686/wheel/ase/test/bandstructure +copying build/lib/ase/test/bandstructure/test_bandstructure_transform_mcl.py -> build/bdist.linux-i686/wheel/./ase/test/bandstructure +copying build/lib/ase/test/bandstructure/test_bandstructure.py -> build/bdist.linux-i686/wheel/./ase/test/bandstructure +copying build/lib/ase/test/bandstructure/test_bandstructure_many.py -> build/bdist.linux-i686/wheel/./ase/test/bandstructure +copying build/lib/ase/test/bandstructure/test_bandstructure_json.py -> build/bdist.linux-i686/wheel/./ase/test/bandstructure +copying build/lib/ase/test/bandstructure/test_bandpath.py -> build/bdist.linux-i686/wheel/./ase/test/bandstructure +copying build/lib/ase/test/bandstructure/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/bandstructure +copying build/lib/ase/test/bandstructure/test_resolve_custom_kpoints.py -> build/bdist.linux-i686/wheel/./ase/test/bandstructure +copying build/lib/ase/test/test_diffusion_coefficient.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_ptable.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_pathlib_support.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_parsemath.py -> build/bdist.linux-i686/wheel/./ase/test +creating build/bdist.linux-i686/wheel/ase/test/atoms +copying build/lib/ase/test/atoms/test_atoms_angle.py -> build/bdist.linux-i686/wheel/./ase/test/atoms +copying build/lib/ase/test/atoms/test_deprecated_get_set.py -> build/bdist.linux-i686/wheel/./ase/test/atoms +copying build/lib/ase/test/atoms/test_atoms_instantiation.py -> build/bdist.linux-i686/wheel/./ase/test/atoms +copying build/lib/ase/test/atoms/test_atoms_get_positions.py -> build/bdist.linux-i686/wheel/./ase/test/atoms +copying build/lib/ase/test/atoms/test_atoms.py -> build/bdist.linux-i686/wheel/./ase/test/atoms +copying build/lib/ase/test/atoms/test_rotate.py -> build/bdist.linux-i686/wheel/./ase/test/atoms +copying build/lib/ase/test/atoms/test_atoms_indices.py -> build/bdist.linux-i686/wheel/./ase/test/atoms +copying build/lib/ase/test/atoms/test_center.py -> build/bdist.linux-i686/wheel/./ase/test/atoms +copying build/lib/ase/test/atoms/test_center_nonperiodic.py -> build/bdist.linux-i686/wheel/./ase/test/atoms +copying build/lib/ase/test/atoms/test_permute_axes.py -> build/bdist.linux-i686/wheel/./ase/test/atoms +copying build/lib/ase/test/atoms/test_set_get_angle.py -> build/bdist.linux-i686/wheel/./ase/test/atoms +copying build/lib/ase/test/atoms/test_scaled_positions.py -> build/bdist.linux-i686/wheel/./ase/test/atoms +copying build/lib/ase/test/atoms/test_atom.py -> build/bdist.linux-i686/wheel/./ase/test/atoms +copying build/lib/ase/test/atoms/test_atoms_info_copy.py -> build/bdist.linux-i686/wheel/./ase/test/atoms +copying build/lib/ase/test/atoms/test_h2.py -> build/bdist.linux-i686/wheel/./ase/test/atoms +copying build/lib/ase/test/atoms/test_build.py -> build/bdist.linux-i686/wheel/./ase/test/atoms +copying build/lib/ase/test/atoms/test_atoms_getitem.py -> build/bdist.linux-i686/wheel/./ase/test/atoms +copying build/lib/ase/test/atoms/test_mic.py -> build/bdist.linux-i686/wheel/./ase/test/atoms +copying build/lib/ase/test/atoms/test_atoms_distance.py -> build/bdist.linux-i686/wheel/./ase/test/atoms +copying build/lib/ase/test/atoms/test_momenta_velocities.py -> build/bdist.linux-i686/wheel/./ase/test/atoms +copying build/lib/ase/test/atoms/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/atoms +copying build/lib/ase/test/atoms/test_rotate_euler.py -> build/bdist.linux-i686/wheel/./ase/test/atoms +copying build/lib/ase/test/atoms/test_atom_scaled_pos.py -> build/bdist.linux-i686/wheel/./ase/test/atoms +copying build/lib/ase/test/atoms/test_get_angles.py -> build/bdist.linux-i686/wheel/./ase/test/atoms +copying build/lib/ase/test/atoms/test_compare_atoms.py -> build/bdist.linux-i686/wheel/./ase/test/atoms +copying build/lib/ase/test/atoms/test_atoms_formula.py -> build/bdist.linux-i686/wheel/./ase/test/atoms +copying build/lib/ase/test/atoms/test_atoms_get_duplicates.py -> build/bdist.linux-i686/wheel/./ase/test/atoms +copying build/lib/ase/test/test_util.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_makebandpath.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_eos.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_stress.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_cluster.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_noncollinear.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_phonons.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_calc_outputs_big.py -> build/bdist.linux-i686/wheel/./ase/test +creating build/bdist.linux-i686/wheel/ase/test/spectrum +copying build/lib/ase/test/spectrum/test_doscollection.py -> build/bdist.linux-i686/wheel/./ase/test/spectrum +copying build/lib/ase/test/spectrum/test_dosdata.py -> build/bdist.linux-i686/wheel/./ase/test/spectrum +copying build/lib/ase/test/spectrum/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/spectrum +creating build/bdist.linux-i686/wheel/ase/test/filter +copying build/lib/ase/test/filter/test_strain_emt.py -> build/bdist.linux-i686/wheel/./ase/test/filter +copying build/lib/ase/test/filter/test_strain.py -> build/bdist.linux-i686/wheel/./ase/test/filter +copying build/lib/ase/test/filter/test_filter.py -> build/bdist.linux-i686/wheel/./ase/test/filter +copying build/lib/ase/test/filter/test_cellfilter.py -> build/bdist.linux-i686/wheel/./ase/test/filter +copying build/lib/ase/test/filter/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/filter +copying build/lib/ase/test/test_quaternions.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_isotopes.py -> build/bdist.linux-i686/wheel/./ase/test creating build/bdist.linux-i686/wheel/ase/test/fio -copying build/lib/ase/test/fio/test_pdb_cell_io.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_external_io_formats.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_magmom.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_eon_readwrite.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_readwrite_errors.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/conftest.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_sdf.py -> build/bdist.linux-i686/wheel/./ase/test/fio copying build/lib/ase/test/fio/test_siesta.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_rmc6f.py -> build/bdist.linux-i686/wheel/./ase/test/fio +creating build/bdist.linux-i686/wheel/ase/test/fio/exciting +copying build/lib/ase/test/fio/exciting/test_exciting.py -> build/bdist.linux-i686/wheel/./ase/test/fio/exciting +copying build/lib/ase/test/fio/exciting/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/fio/exciting +copying build/lib/ase/test/fio/test_jsonio.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_py.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_pdb_extra.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_eon_multi_image_read.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_cube.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_info.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_espresso.py -> build/bdist.linux-i686/wheel/./ase/test/fio creating build/bdist.linux-i686/wheel/ase/test/fio/vasp -copying build/lib/ase/test/fio/vasp/test_poscar.py -> build/bdist.linux-i686/wheel/./ase/test/fio/vasp +copying build/lib/ase/test/fio/vasp/test_vasp_out.py -> build/bdist.linux-i686/wheel/./ase/test/fio/vasp +copying build/lib/ase/test/fio/vasp/test_vasp_outcar_parsers.py -> build/bdist.linux-i686/wheel/./ase/test/fio/vasp copying build/lib/ase/test/fio/vasp/test_read_vasp_xml.py -> build/bdist.linux-i686/wheel/./ase/test/fio/vasp copying build/lib/ase/test/fio/vasp/test_incar_writer.py -> build/bdist.linux-i686/wheel/./ase/test/fio/vasp -copying build/lib/ase/test/fio/vasp/test_vasp_out.py -> build/bdist.linux-i686/wheel/./ase/test/fio/vasp copying build/lib/ase/test/fio/vasp/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/fio/vasp copying build/lib/ase/test/fio/vasp/test_vasp_poscar.py -> build/bdist.linux-i686/wheel/./ase/test/fio/vasp -copying build/lib/ase/test/fio/vasp/test_vasp_outcar_parsers.py -> build/bdist.linux-i686/wheel/./ase/test/fio/vasp -copying build/lib/ase/test/fio/test_compression.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/vasp/test_poscar.py -> build/bdist.linux-i686/wheel/./ase/test/fio/vasp +copying build/lib/ase/test/fio/test_dmol.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_nwchem.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_parallel.py -> build/bdist.linux-i686/wheel/./ase/test/fio +creating build/bdist.linux-i686/wheel/ase/test/fio/castep +copying build/lib/ase/test/fio/castep/test_castep_reader.py -> build/bdist.linux-i686/wheel/./ase/test/fio/castep +copying build/lib/ase/test/fio/castep/test_read_bands.py -> build/bdist.linux-i686/wheel/./ase/test/fio/castep +copying build/lib/ase/test/fio/castep/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/fio/castep +copying build/lib/ase/test/fio/test_res.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_wout.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_pdb_cell_io.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_cifblock.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_dlp.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_ioformats.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_netcdftrajectory.py -> build/bdist.linux-i686/wheel/./ase/test/fio +creating build/bdist.linux-i686/wheel/ase/test/fio/aims +copying build/lib/ase/test/fio/aims/test_aims_out.py -> build/bdist.linux-i686/wheel/./ase/test/fio/aims +copying build/lib/ase/test/fio/aims/test_geometry.py -> build/bdist.linux-i686/wheel/./ase/test/fio/aims +copying build/lib/ase/test/fio/aims/test_write_control.py -> build/bdist.linux-i686/wheel/./ase/test/fio/aims +copying build/lib/ase/test/fio/aims/test_aims_out_chunks.py -> build/bdist.linux-i686/wheel/./ase/test/fio/aims +copying build/lib/ase/test/fio/aims/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/fio/aims +copying build/lib/ase/test/fio/test_extxyz.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_gaussian_out.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_v_sim.py -> build/bdist.linux-i686/wheel/./ase/test/fio copying build/lib/ase/test/fio/test_fileobj.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_abinit.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_json_arrays.py -> build/bdist.linux-i686/wheel/./ase/test/fio copying build/lib/ase/test/fio/test_xsd_bond.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_onetep.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_xsf_spec.py -> build/bdist.linux-i686/wheel/./ase/test/fio copying build/lib/ase/test/fio/test_opls.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_rmc6f.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_cif.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_povray.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_ulm.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_trajectory.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_cjson.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_ace.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_gaussian_gjf_input.py -> build/bdist.linux-i686/wheel/./ase/test/fio copying build/lib/ase/test/fio/test_espresso_ph.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_readwrite_errors.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_res.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_info.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_parallel.py -> build/bdist.linux-i686/wheel/./ase/test/fio -creating build/bdist.linux-i686/wheel/ase/test/fio/exciting -copying build/lib/ase/test/fio/exciting/test_exciting.py -> build/bdist.linux-i686/wheel/./ase/test/fio/exciting -copying build/lib/ase/test/fio/exciting/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/fio/exciting -copying build/lib/ase/test/fio/conftest.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_dftb.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_qbox.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_oldtraj.py -> build/bdist.linux-i686/wheel/./ase/test/fio creating build/bdist.linux-i686/wheel/ase/test/fio/octopus -copying build/lib/ase/test/fio/octopus/test_output.py -> build/bdist.linux-i686/wheel/./ase/test/fio/octopus -copying build/lib/ase/test/fio/octopus/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/fio/octopus copying build/lib/ase/test/fio/octopus/test_input.py -> build/bdist.linux-i686/wheel/./ase/test/fio/octopus -copying build/lib/ase/test/fio/test_dmol.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_vasp_structure.py -> build/bdist.linux-i686/wheel/./ase/test/fio -creating build/bdist.linux-i686/wheel/ase/test/fio/castep -copying build/lib/ase/test/fio/castep/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/fio/castep -copying build/lib/ase/test/fio/castep/test_castep_reader.py -> build/bdist.linux-i686/wheel/./ase/test/fio/castep -copying build/lib/ase/test/fio/castep/test_read_bands.py -> build/bdist.linux-i686/wheel/./ase/test/fio/castep -copying build/lib/ase/test/fio/test_eon_multi_image_read.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_xyz.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_nomad.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/octopus/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/fio/octopus +copying build/lib/ase/test/fio/octopus/test_output.py -> build/bdist.linux-i686/wheel/./ase/test/fio/octopus +copying build/lib/ase/test/fio/test_ulm_dummy.py -> build/bdist.linux-i686/wheel/./ase/test/fio copying build/lib/ase/test/fio/test_castep.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_eon_readwrite.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_cube.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_jsonio.py -> build/bdist.linux-i686/wheel/./ase/test/fio copying build/lib/ase/test/fio/test_traj_bytesio.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_espresso.py -> build/bdist.linux-i686/wheel/./ase/test/fio copying build/lib/ase/test/fio/test_proteindatabank.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_gen.py -> build/bdist.linux-i686/wheel/./ase/test/fio copying build/lib/ase/test/fio/test_prismatic.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_cfg.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_json_arrays.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_ulm_dummy.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_nwchem.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_jsonio_atoms.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_trajectory_heterogeneous.py -> build/bdist.linux-i686/wheel/./ase/test/fio -creating build/bdist.linux-i686/wheel/ase/test/fio/aims -copying build/lib/ase/test/fio/aims/test_write_control.py -> build/bdist.linux-i686/wheel/./ase/test/fio/aims -copying build/lib/ase/test/fio/aims/test_aims_out_chunks.py -> build/bdist.linux-i686/wheel/./ase/test/fio/aims -copying build/lib/ase/test/fio/aims/test_geometry.py -> build/bdist.linux-i686/wheel/./ase/test/fio/aims -copying build/lib/ase/test/fio/aims/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/fio/aims -copying build/lib/ase/test/fio/aims/test_aims_out.py -> build/bdist.linux-i686/wheel/./ase/test/fio/aims -copying build/lib/ase/test/fio/test_amber.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_turbomole.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_v_sim.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_dftb.py -> build/bdist.linux-i686/wheel/./ase/test/fio copying build/lib/ase/test/fio/test_orca.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_animate.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_match_magic.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_magres.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_gaussian_out.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_extxyz.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_pycodcif_read.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_vasp_structure.py -> build/bdist.linux-i686/wheel/./ase/test/fio copying build/lib/ase/test/fio/test_elk.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_py.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_qbox.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_iread_path.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_oldtraj.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_lammpsdump.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_ioformats.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_dlp.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_bundletrajectory.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_pickle_bundle_trajectory.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_wout.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_atoms_bytes.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_sdf.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_xsf_spec.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_gaussian.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_magmom.py -> build/bdist.linux-i686/wheel/./ase/test/fio copying build/lib/ase/test/fio/test_gpaw.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_pdb_extra.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_compression.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_oi.py -> build/bdist.linux-i686/wheel/./ase/test/fio copying build/lib/ase/test/fio/test_openmx.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_abinit.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_cifblock.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_gpumd.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_netcdftrajectory.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_xyz.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_lammpsdump.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_ulm.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_animate.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_trajectory.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_povray.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_external_io_formats.py -> build/bdist.linux-i686/wheel/./ase/test/fio copying build/lib/ase/test/fio/test_mustem.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_oi.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/fio/test_gaussian.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_cif.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_gaussian_gjf_input.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_jsonio_atoms.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_ace.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_pickle_bundle_trajectory.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_magres.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_amber.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_trajectory_heterogeneous.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_iread_path.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_match_magic.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_bundletrajectory.py -> build/bdist.linux-i686/wheel/./ase/test/fio copying build/lib/ase/test/fio/test_formats.py -> build/bdist.linux-i686/wheel/./ase/test/fio -copying build/lib/ase/test/test_isotopes.py -> build/bdist.linux-i686/wheel/./ase/test -creating build/bdist.linux-i686/wheel/ase/test/geometry -copying build/lib/ase/test/geometry/test_dimensionality.py -> build/bdist.linux-i686/wheel/./ase/test/geometry -copying build/lib/ase/test/geometry/test_geometry_rdf.py -> build/bdist.linux-i686/wheel/./ase/test/geometry -copying build/lib/ase/test/geometry/test_analysis.py -> build/bdist.linux-i686/wheel/./ase/test/geometry -copying build/lib/ase/test/geometry/test_geometry.py -> build/bdist.linux-i686/wheel/./ase/test/geometry -copying build/lib/ase/test/geometry/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/geometry -copying build/lib/ase/test/geometry/test_distance.py -> build/bdist.linux-i686/wheel/./ase/test/geometry -copying build/lib/ase/test/geometry/test_geometry_derivatives.py -> build/bdist.linux-i686/wheel/./ase/test/geometry -creating build/bdist.linux-i686/wheel/ase/test/ga -copying build/lib/ase/test/ga/test_film_operators.py -> build/bdist.linux-i686/wheel/./ase/test/ga -copying build/lib/ase/test/ga/test_particle_operators.py -> build/bdist.linux-i686/wheel/./ase/test/ga -copying build/lib/ase/test/ga/test_cutandsplicepairing.py -> build/bdist.linux-i686/wheel/./ase/test/ga -copying build/lib/ase/test/ga/test_particle_comparators.py -> build/bdist.linux-i686/wheel/./ase/test/ga -copying build/lib/ase/test/ga/test_slab_operators.py -> build/bdist.linux-i686/wheel/./ase/test/ga -copying build/lib/ase/test/ga/test_element_operators.py -> build/bdist.linux-i686/wheel/./ase/test/ga -copying build/lib/ase/test/ga/test_mutations.py -> build/bdist.linux-i686/wheel/./ase/test/ga -copying build/lib/ase/test/ga/test_bulk_operators.py -> build/bdist.linux-i686/wheel/./ase/test/ga -copying build/lib/ase/test/ga/test_chain_operators.py -> build/bdist.linux-i686/wheel/./ase/test/ga -copying build/lib/ase/test/ga/test_particle_mutations.py -> build/bdist.linux-i686/wheel/./ase/test/ga -copying build/lib/ase/test/ga/test_basic_example_main_run.py -> build/bdist.linux-i686/wheel/./ase/test/ga -copying build/lib/ase/test/ga/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/ga -copying build/lib/ase/test/ga/test_database_logic.py -> build/bdist.linux-i686/wheel/./ase/test/ga -copying build/lib/ase/test/ga/test_create_database.py -> build/bdist.linux-i686/wheel/./ase/test/ga -copying build/lib/ase/test/ga/test_add_candidates.py -> build/bdist.linux-i686/wheel/./ase/test/ga -copying build/lib/ase/test/ga/test_standardcomparator.py -> build/bdist.linux-i686/wheel/./ase/test/ga -creating build/bdist.linux-i686/wheel/ase/test/filter -copying build/lib/ase/test/filter/test_filter.py -> build/bdist.linux-i686/wheel/./ase/test/filter -copying build/lib/ase/test/filter/test_cellfilter.py -> build/bdist.linux-i686/wheel/./ase/test/filter -copying build/lib/ase/test/filter/test_strain.py -> build/bdist.linux-i686/wheel/./ase/test/filter -copying build/lib/ase/test/filter/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/filter -copying build/lib/ase/test/filter/test_strain_emt.py -> build/bdist.linux-i686/wheel/./ase/test/filter -copying build/lib/ase/test/test_distmom.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/utils.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_minimum_image_convention.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_noncollinear.py -> build/bdist.linux-i686/wheel/./ase/test -creating build/bdist.linux-i686/wheel/ase/test/precon -copying build/lib/ase/test/precon/test_smallcell.py -> build/bdist.linux-i686/wheel/./ase/test/precon -copying build/lib/ase/test/precon/test_lbfgs.py -> build/bdist.linux-i686/wheel/./ase/test/precon -copying build/lib/ase/test/precon/test_precon_assembly.py -> build/bdist.linux-i686/wheel/./ase/test/precon -copying build/lib/ase/test/precon/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/precon -copying build/lib/ase/test/precon/test_ff_and_precon_c60.py -> build/bdist.linux-i686/wheel/./ase/test/precon -copying build/lib/ase/test/precon/test_unitcellfilter.py -> build/bdist.linux-i686/wheel/./ase/test/precon -copying build/lib/ase/test/precon/test_amin.py -> build/bdist.linux-i686/wheel/./ase/test/precon -copying build/lib/ase/test/test_bader.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_linesearch_maxstep.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_versionnumber.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_dimer_method.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_properties.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_pathlib_support.py -> build/bdist.linux-i686/wheel/./ase/test -creating build/bdist.linux-i686/wheel/ase/test/build_ -copying build/lib/ase/test/build_/test_build_bulk.py -> build/bdist.linux-i686/wheel/./ase/test/build_ -copying build/lib/ase/test/build_/test_surface_stack.py -> build/bdist.linux-i686/wheel/./ase/test/build_ -copying build/lib/ase/test/build_/test_connected.py -> build/bdist.linux-i686/wheel/./ase/test/build_ -copying build/lib/ase/test/build_/test_minimize_rotation_and_translation.py -> build/bdist.linux-i686/wheel/./ase/test/build_ -copying build/lib/ase/test/build_/test_bulk.py -> build/bdist.linux-i686/wheel/./ase/test/build_ -copying build/lib/ase/test/build_/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/build_ -copying build/lib/ase/test/build_/test_surface_terminations.py -> build/bdist.linux-i686/wheel/./ase/test/build_ -copying build/lib/ase/test/build_/test_supercells.py -> build/bdist.linux-i686/wheel/./ase/test/build_ -copying build/lib/ase/test/build_/test_attach.py -> build/bdist.linux-i686/wheel/./ase/test/build_ -copying build/lib/ase/test/build_/test_surface.py -> build/bdist.linux-i686/wheel/./ase/test/build_ -copying build/lib/ase/test/test_filecache.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_symbols.py -> build/bdist.linux-i686/wheel/./ase/test -creating build/bdist.linux-i686/wheel/ase/test/md -copying build/lib/ase/test/md/test_velocity_distribution.py -> build/bdist.linux-i686/wheel/./ase/test/md -copying build/lib/ase/test/md/test_langevin_asapcompat.py -> build/bdist.linux-i686/wheel/./ase/test/md -copying build/lib/ase/test/md/test_bussi.py -> build/bdist.linux-i686/wheel/./ase/test/md -copying build/lib/ase/test/md/test_fixrotation.py -> build/bdist.linux-i686/wheel/./ase/test/md -copying build/lib/ase/test/md/test_phonon_md_init.py -> build/bdist.linux-i686/wheel/./ase/test/md -copying build/lib/ase/test/md/test_nose_hoover_chain.py -> build/bdist.linux-i686/wheel/./ase/test/md -copying build/lib/ase/test/md/test_CO2linear_Au111_langevin.py -> build/bdist.linux-i686/wheel/./ase/test/md -copying build/lib/ase/test/md/test_verlet_thermostats_asap.py -> build/bdist.linux-i686/wheel/./ase/test/md -copying build/lib/ase/test/md/test_nvt_npt.py -> build/bdist.linux-i686/wheel/./ase/test/md -copying build/lib/ase/test/md/test_maxwellboltzmann.py -> build/bdist.linux-i686/wheel/./ase/test/md -copying build/lib/ase/test/md/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/md -copying build/lib/ase/test/md/test_langevin_switching.py -> build/bdist.linux-i686/wheel/./ase/test/md -copying build/lib/ase/test/md/test_ce_potentiostat.py -> build/bdist.linux-i686/wheel/./ase/test/md -copying build/lib/ase/test/md/test_langevin_com.py -> build/bdist.linux-i686/wheel/./ase/test/md -copying build/lib/ase/test/md/test_ce_curvature.py -> build/bdist.linux-i686/wheel/./ase/test/md -copying build/lib/ase/test/md/test_idealgas.py -> build/bdist.linux-i686/wheel/./ase/test/md -copying build/lib/ase/test/md/test_rng.py -> build/bdist.linux-i686/wheel/./ase/test/md -copying build/lib/ase/test/md/test_md.py -> build/bdist.linux-i686/wheel/./ase/test/md -copying build/lib/ase/test/md/test_md_logger.py -> build/bdist.linux-i686/wheel/./ase/test/md -copying build/lib/ase/test/md/test_ce_logging.py -> build/bdist.linux-i686/wheel/./ase/test/md -copying build/lib/ase/test/md/test_md_logger_interval.py -> build/bdist.linux-i686/wheel/./ase/test/md -copying build/lib/ase/test/test_hcp.py -> build/bdist.linux-i686/wheel/./ase/test -creating build/bdist.linux-i686/wheel/ase/test/forcefields -copying build/lib/ase/test/forcefields/test_qmmm.py -> build/bdist.linux-i686/wheel/./ase/test/forcefields -copying build/lib/ase/test/forcefields/test_utils_ff_vdw.py -> build/bdist.linux-i686/wheel/./ase/test/forcefields -copying build/lib/ase/test/forcefields/test_counterions.py -> build/bdist.linux-i686/wheel/./ase/test/forcefields -copying build/lib/ase/test/forcefields/test_rattle_linear.py -> build/bdist.linux-i686/wheel/./ase/test/forcefields -copying build/lib/ase/test/forcefields/test_rattle.py -> build/bdist.linux-i686/wheel/./ase/test/forcefields -copying build/lib/ase/test/forcefields/test_combine_mm2.py -> build/bdist.linux-i686/wheel/./ase/test/forcefields -copying build/lib/ase/test/forcefields/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/forcefields -copying build/lib/ase/test/forcefields/test_qmmm_acn.py -> build/bdist.linux-i686/wheel/./ase/test/forcefields -copying build/lib/ase/test/forcefields/test_combine_mm.py -> build/bdist.linux-i686/wheel/./ase/test/forcefields -copying build/lib/ase/test/forcefields/test_tipnp.py -> build/bdist.linux-i686/wheel/./ase/test/forcefields -copying build/lib/ase/test/forcefields/test_aic.py -> build/bdist.linux-i686/wheel/./ase/test/forcefields -copying build/lib/ase/test/forcefields/test_acn.py -> build/bdist.linux-i686/wheel/./ase/test/forcefields -copying build/lib/ase/test/forcefields/test_forceqmmm.py -> build/bdist.linux-i686/wheel/./ase/test/forcefields -copying build/lib/ase/test/forcefields/test_tip4p.py -> build/bdist.linux-i686/wheel/./ase/test/forcefields -creating build/bdist.linux-i686/wheel/ase/test/lammpsdata -copying build/lib/ase/test/lammpsdata/parse_lammps_data_file.py -> build/bdist.linux-i686/wheel/./ase/test/lammpsdata -copying build/lib/ase/test/lammpsdata/test_lammpsdata_read.py -> build/bdist.linux-i686/wheel/./ase/test/lammpsdata -copying build/lib/ase/test/lammpsdata/comparison.py -> build/bdist.linux-i686/wheel/./ase/test/lammpsdata -copying build/lib/ase/test/lammpsdata/test_lammpsdata_write.py -> build/bdist.linux-i686/wheel/./ase/test/lammpsdata -copying build/lib/ase/test/lammpsdata/conftest.py -> build/bdist.linux-i686/wheel/./ase/test/lammpsdata -copying build/lib/ase/test/lammpsdata/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/lammpsdata -copying build/lib/ase/test/lammpsdata/test_read_connectivity.py -> build/bdist.linux-i686/wheel/./ase/test/lammpsdata -copying build/lib/ase/test/lammpsdata/test_write_and_read.py -> build/bdist.linux-i686/wheel/./ase/test/lammpsdata -copying build/lib/ase/test/test_nwchem_writer.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/testsuite.py -> build/bdist.linux-i686/wheel/./ase/test -creating build/bdist.linux-i686/wheel/ase/test/transport -copying build/lib/ase/test/transport/test_transport_calculator.py -> build/bdist.linux-i686/wheel/./ase/test/transport -copying build/lib/ase/test/transport/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/transport -copying build/lib/ase/test/test_formula.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/test_calc_properties.py -> build/bdist.linux-i686/wheel/./ase/test -creating build/bdist.linux-i686/wheel/ase/test/cell -copying build/lib/ase/test/cell/test_cell.py -> build/bdist.linux-i686/wheel/./ase/test/cell -copying build/lib/ase/test/cell/test_minkowski_reduce.py -> build/bdist.linux-i686/wheel/./ase/test/cell -copying build/lib/ase/test/cell/test_standard_form.py -> build/bdist.linux-i686/wheel/./ase/test/cell -copying build/lib/ase/test/cell/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/cell -copying build/lib/ase/test/cell/test_niggli_ndim.py -> build/bdist.linux-i686/wheel/./ase/test/cell -copying build/lib/ase/test/cell/test_supercell.py -> build/bdist.linux-i686/wheel/./ase/test/cell -copying build/lib/ase/test/cell/test_cell_conv.py -> build/bdist.linux-i686/wheel/./ase/test/cell -copying build/lib/ase/test/cell/test_cell_completion.py -> build/bdist.linux-i686/wheel/./ase/test/cell -copying build/lib/ase/test/cell/test_niggli.py -> build/bdist.linux-i686/wheel/./ase/test/cell -copying build/lib/ase/test/cell/test_cell_uncompletion.py -> build/bdist.linux-i686/wheel/./ase/test/cell -copying build/lib/ase/test/cell/test_conventional_map.py -> build/bdist.linux-i686/wheel/./ase/test/cell -copying build/lib/ase/test/cell/test_niggli_op.py -> build/bdist.linux-i686/wheel/./ase/test/cell -creating build/bdist.linux-i686/wheel/ase/test/db -copying build/lib/ase/test/db/test_metadata.py -> build/bdist.linux-i686/wheel/./ase/test/db -copying build/lib/ase/test/db/test_o2b2o.py -> build/bdist.linux-i686/wheel/./ase/test/db -copying build/lib/ase/test/db/test_cli.py -> build/bdist.linux-i686/wheel/./ase/test/db -copying build/lib/ase/test/db/conftest.py -> build/bdist.linux-i686/wheel/./ase/test/db -copying build/lib/ase/test/db/test_jsondb.py -> build/bdist.linux-i686/wheel/./ase/test/db -copying build/lib/ase/test/db/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/db -copying build/lib/ase/test/db/test_db2.py -> build/bdist.linux-i686/wheel/./ase/test/db -copying build/lib/ase/test/db/test_sql_db_ext_tables.py -> build/bdist.linux-i686/wheel/./ase/test/db -copying build/lib/ase/test/db/test_row.py -> build/bdist.linux-i686/wheel/./ase/test/db -copying build/lib/ase/test/db/test_db.py -> build/bdist.linux-i686/wheel/./ase/test/db -copying build/lib/ase/test/db/test_mysql.py -> build/bdist.linux-i686/wheel/./ase/test/db -copying build/lib/ase/test/db/test_db_web.py -> build/bdist.linux-i686/wheel/./ase/test/db -copying build/lib/ase/test/db/test_update.py -> build/bdist.linux-i686/wheel/./ase/test/db -copying build/lib/ase/test/db/test_sqlite.py -> build/bdist.linux-i686/wheel/./ase/test/db -copying build/lib/ase/test/db/test_table.py -> build/bdist.linux-i686/wheel/./ase/test/db -copying build/lib/ase/test/test_mpi.py -> build/bdist.linux-i686/wheel/./ase/test -copying build/lib/ase/test/factories.py -> build/bdist.linux-i686/wheel/./ase/test -creating build/bdist.linux-i686/wheel/ase/test/testdata -copying build/lib/ase/test/testdata/qbox_04_md_ntc.reference.xml -> build/bdist.linux-i686/wheel/./ase/test/testdata -creating build/bdist.linux-i686/wheel/ase/test/testdata/io -creating build/bdist.linux-i686/wheel/ase/test/testdata/io/eon -copying build/lib/ase/test/testdata/io/eon/single.con -> build/bdist.linux-i686/wheel/./ase/test/testdata/io/eon -copying build/lib/ase/test/testdata/io/eon/multi.con -> build/bdist.linux-i686/wheel/./ase/test/testdata/io/eon -creating build/bdist.linux-i686/wheel/ase/test/testdata/vasp -copying build/lib/ase/test/testdata/vasp/OUTCAR_example_1 -> build/bdist.linux-i686/wheel/./ase/test/testdata/vasp -copying build/lib/ase/test/testdata/vasp/convergence_OUTCAR_y_y -> build/bdist.linux-i686/wheel/./ase/test/testdata/vasp -copying build/lib/ase/test/testdata/vasp/POSCAR_example_1 -> build/bdist.linux-i686/wheel/./ase/test/testdata/vasp -creating build/bdist.linux-i686/wheel/ase/test/testdata/vasp/Li -copying build/lib/ase/test/testdata/vasp/Li/CHG -> build/bdist.linux-i686/wheel/./ase/test/testdata/vasp/Li -copying build/lib/ase/test/testdata/vasp/vasprun_dfpt.xml -> build/bdist.linux-i686/wheel/./ase/test/testdata/vasp -copying build/lib/ase/test/testdata/vasp/convergence_OUTCAR_y_n -> build/bdist.linux-i686/wheel/./ase/test/testdata/vasp -copying build/lib/ase/test/testdata/vasp/convergence_OUTCAR_n_y -> build/bdist.linux-i686/wheel/./ase/test/testdata/vasp -copying build/lib/ase/test/testdata/lammpsdata_input.data -> build/bdist.linux-i686/wheel/./ase/test/testdata -copying build/lib/ase/test/testdata/lammpslib_simple_input.data -> build/bdist.linux-i686/wheel/./ase/test/testdata -copying build/lib/ase/test/testdata/rotated_bz.png -> build/bdist.linux-i686/wheel/./ase/test/testdata -copying build/lib/ase/test/testdata/nomad-images.nomad-json -> build/bdist.linux-i686/wheel/./ase/test/testdata -copying build/lib/ase/test/testdata/172_defs.par -> build/bdist.linux-i686/wheel/./ase/test/testdata -creating build/bdist.linux-i686/wheel/ase/test/testdata/siesta -copying build/lib/ase/test/testdata/siesta/siesta.EIG -> build/bdist.linux-i686/wheel/./ase/test/testdata/siesta -creating build/bdist.linux-i686/wheel/ase/test/testdata/octopus -copying build/lib/ase/test/testdata/octopus/periodic_systems_03-sodium_chain.02-unocc_eigenvalues -> build/bdist.linux-i686/wheel/./ase/test/testdata/octopus -copying build/lib/ase/test/testdata/octopus/periodic_systems_30-stress.05-output_scf_info -> build/bdist.linux-i686/wheel/./ase/test/testdata/octopus -copying build/lib/ase/test/testdata/octopus/linear_response_02-h2o_pol_lr.01_h2o_gs_info -> build/bdist.linux-i686/wheel/./ase/test/testdata/octopus -copying build/lib/ase/test/testdata/octopus/periodic_systems_25-Fe_polarized.01-gs_info -> build/bdist.linux-i686/wheel/./ase/test/testdata/octopus -creating build/bdist.linux-i686/wheel/ase/test/testdata/castep -copying build/lib/ase/test/testdata/castep/md.castep -> build/bdist.linux-i686/wheel/./ase/test/testdata/castep -copying build/lib/ase/test/testdata/onetep_include.dat -> build/bdist.linux-i686/wheel/./ase/test/testdata -copying build/lib/ase/test/testdata/opls_structure_ext.xyz -> build/bdist.linux-i686/wheel/./ase/test/testdata -creating build/bdist.linux-i686/wheel/ase/test/testdata/aims -copying build/lib/ase/test/testdata/aims/issue_3345_spin_md_light.out -> build/bdist.linux-i686/wheel/./ase/test/testdata/aims -copying build/lib/ase/test/testdata/aims/socket.out -> build/bdist.linux-i686/wheel/./ase/test/testdata/aims -copying build/lib/ase/test/testdata/aims/preamble_fail.out -> build/bdist.linux-i686/wheel/./ase/test/testdata/aims -copying build/lib/ase/test/testdata/aims/singlepoint.out -> build/bdist.linux-i686/wheel/./ase/test/testdata/aims -copying build/lib/ase/test/testdata/aims/DFPT_dielectric.out -> build/bdist.linux-i686/wheel/./ase/test/testdata/aims -copying build/lib/ase/test/testdata/aims/md.out -> build/bdist.linux-i686/wheel/./ase/test/testdata/aims -copying build/lib/ase/test/testdata/aims/numerical_stress.out -> build/bdist.linux-i686/wheel/./ase/test/testdata/aims -copying build/lib/ase/test/testdata/aims/polarization.out -> build/bdist.linux-i686/wheel/./ase/test/testdata/aims -copying build/lib/ase/test/testdata/aims/relax.out -> build/bdist.linux-i686/wheel/./ase/test/testdata/aims -copying build/lib/ase/test/testdata/onetep_include_nested.dat -> build/bdist.linux-i686/wheel/./ase/test/testdata -creating build/bdist.linux-i686/wheel/ase/test/testdata/minerals -copying build/lib/ase/test/testdata/minerals/cod_9007661.cif -> build/bdist.linux-i686/wheel/./ase/test/testdata/minerals -copying build/lib/ase/test/testdata/minerals/cod_9001665.cif -> build/bdist.linux-i686/wheel/./ase/test/testdata/minerals -copying build/lib/ase/test/testdata/minerals/cod_1010995.cif -> build/bdist.linux-i686/wheel/./ase/test/testdata/minerals -copying build/lib/ase/test/testdata/minerals/cod_9004218.cif -> build/bdist.linux-i686/wheel/./ase/test/testdata/minerals -copying build/lib/ase/test/testdata/minerals/cod_9004112.cif -> build/bdist.linux-i686/wheel/./ase/test/testdata/minerals -copying build/lib/ase/test/testdata/minerals/cod_9017338.cif -> build/bdist.linux-i686/wheel/./ase/test/testdata/minerals -copying build/lib/ase/test/testdata/minerals/cod_1010930.cif -> build/bdist.linux-i686/wheel/./ase/test/testdata/minerals -copying build/lib/ase/test/testdata/minerals/cod_9007640.cif -> build/bdist.linux-i686/wheel/./ase/test/testdata/minerals -copying build/lib/ase/test/testdata/gpaw_expected_text_output -> build/bdist.linux-i686/wheel/./ase/test/testdata -copying build/lib/ase/test/testdata/qbox_test.xml -> build/bdist.linux-i686/wheel/./ase/test/testdata -copying build/lib/ase/test/testdata/README.md -> build/bdist.linux-i686/wheel/./ase/test/testdata -creating build/bdist.linux-i686/wheel/ase/test/testdata/nwchem -copying build/lib/ase/test/testdata/nwchem/snippet_multipole_7.0.2-intel.nwo -> build/bdist.linux-i686/wheel/./ase/test/testdata/nwchem -copying build/lib/ase/test/testdata/nwchem/snippet_multipole_7.0.2-gcc.nwo -> build/bdist.linux-i686/wheel/./ase/test/testdata/nwchem -copying build/lib/ase/test/testdata/large_atoms.magres -> build/bdist.linux-i686/wheel/./ase/test/testdata -copying build/lib/ase/test/test_kpts.py -> build/bdist.linux-i686/wheel/./ase/test -creating build/bdist.linux-i686/wheel/ase/test/bandstructure -copying build/lib/ase/test/bandstructure/test_bandstructure.py -> build/bdist.linux-i686/wheel/./ase/test/bandstructure -copying build/lib/ase/test/bandstructure/test_resolve_custom_kpoints.py -> build/bdist.linux-i686/wheel/./ase/test/bandstructure -copying build/lib/ase/test/bandstructure/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/bandstructure -copying build/lib/ase/test/bandstructure/test_bandstructure_json.py -> build/bdist.linux-i686/wheel/./ase/test/bandstructure -copying build/lib/ase/test/bandstructure/test_bandstructure_many.py -> build/bdist.linux-i686/wheel/./ase/test/bandstructure -copying build/lib/ase/test/bandstructure/test_bandstructure_transform_mcl.py -> build/bdist.linux-i686/wheel/./ase/test/bandstructure -copying build/lib/ase/test/bandstructure/test_bandpath.py -> build/bdist.linux-i686/wheel/./ase/test/bandstructure -creating build/bdist.linux-i686/wheel/ase/test/dft -copying build/lib/ase/test/dft/test_dos.py -> build/bdist.linux-i686/wheel/./ase/test/dft -copying build/lib/ase/test/dft/test_kpt_density_monkhorst_pack.py -> build/bdist.linux-i686/wheel/./ase/test/dft -copying build/lib/ase/test/dft/test_interpolate.py -> build/bdist.linux-i686/wheel/./ase/test/dft -copying build/lib/ase/test/dft/test_min_distance_monkhorst_pack.py -> build/bdist.linux-i686/wheel/./ase/test/dft -copying build/lib/ase/test/dft/test_bandgap.py -> build/bdist.linux-i686/wheel/./ase/test/dft -copying build/lib/ase/test/dft/test_bee.py -> build/bdist.linux-i686/wheel/./ase/test/dft -copying build/lib/ase/test/dft/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/dft -copying build/lib/ase/test/dft/test_kpts_size_offsets.py -> build/bdist.linux-i686/wheel/./ase/test/dft -copying build/lib/ase/test/dft/test_hex.py -> build/bdist.linux-i686/wheel/./ase/test/dft -copying build/lib/ase/test/dft/test_bz.py -> build/bdist.linux-i686/wheel/./ase/test/dft -copying build/lib/ase/test/dft/test_monoclinic.py -> build/bdist.linux-i686/wheel/./ase/test/dft +copying build/lib/ase/test/fio/test_gen.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_nomad.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_gpumd.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_atoms_bytes.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_onetep.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_cjson.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_cfg.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_turbomole.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/fio/test_pycodcif_read.py -> build/bdist.linux-i686/wheel/./ase/test/fio +copying build/lib/ase/test/test_pourbaix.py -> build/bdist.linux-i686/wheel/./ase/test creating build/bdist.linux-i686/wheel/ase/test/calculator -creating build/bdist.linux-i686/wheel/ase/test/calculator/crystal -copying build/lib/ase/test/calculator/crystal/test_molecule.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/crystal -copying build/lib/ase/test/calculator/crystal/test_bulk.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/crystal -copying build/lib/ase/test/calculator/crystal/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/crystal -copying build/lib/ase/test/calculator/crystal/test_graphene.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/crystal -copying build/lib/ase/test/calculator/test_traj.py -> build/bdist.linux-i686/wheel/./ase/test/calculator -copying build/lib/ase/test/calculator/test_polarizability.py -> build/bdist.linux-i686/wheel/./ase/test/calculator -creating build/bdist.linux-i686/wheel/ase/test/calculator/vasp -copying build/lib/ase/test/calculator/vasp/test_vasp_charge.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp -copying build/lib/ase/test/calculator/vasp/test_vasp_co.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp -copying build/lib/ase/test/calculator/vasp/test_vasp_xml.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp -copying build/lib/ase/test/calculator/vasp/test_vasp_freq.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp -copying build/lib/ase/test/calculator/vasp/test_chgcar.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp -copying build/lib/ase/test/calculator/vasp/filecmp_ignore_whitespace.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp -copying build/lib/ase/test/calculator/vasp/test_vasp_wdir.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp -copying build/lib/ase/test/calculator/vasp/conftest.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp -copying build/lib/ase/test/calculator/vasp/test_vasp_get_dos.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp -copying build/lib/ase/test/calculator/vasp/test_vasp_input.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp -copying build/lib/ase/test/calculator/vasp/test_vasp_calculator.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp -copying build/lib/ase/test/calculator/vasp/test_vasp_kpoints.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp -copying build/lib/ase/test/calculator/vasp/test_vasp_check_state.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp -copying build/lib/ase/test/calculator/vasp/test_vasp_setup.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp -copying build/lib/ase/test/calculator/vasp/test_vasp_Al_volrelax.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp -copying build/lib/ase/test/calculator/vasp/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp -copying build/lib/ase/test/calculator/vasp/test_vasp_incar.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp -copying build/lib/ase/test/calculator/vasp/test_vasp_converge.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp -copying build/lib/ase/test/calculator/vasp/test_version.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp -copying build/lib/ase/test/calculator/vasp/test_vasp_errors.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp -copying build/lib/ase/test/calculator/vasp/test_vasp_potcar.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp -creating build/bdist.linux-i686/wheel/ase/test/calculator/gpaw_ -copying build/lib/ase/test/calculator/gpaw_/test_read_text_output.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/gpaw_ -copying build/lib/ase/test/calculator/gpaw_/test_wannier.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/gpaw_ -copying build/lib/ase/test/calculator/gpaw_/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/gpaw_ -copying build/lib/ase/test/calculator/gpaw_/test_no_spin_and_spin.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/gpaw_ -copying build/lib/ase/test/calculator/test_ts09.py -> build/bdist.linux-i686/wheel/./ase/test/calculator -copying build/lib/ase/test/calculator/test_gulp_opt.py -> build/bdist.linux-i686/wheel/./ase/test/calculator +copying build/lib/ase/test/calculator/test_h2morse.py -> build/bdist.linux-i686/wheel/./ase/test/calculator +creating build/bdist.linux-i686/wheel/ase/test/calculator/onetep +copying build/lib/ase/test/calculator/onetep/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/onetep +copying build/lib/ase/test/calculator/onetep/test_onetep.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/onetep +copying build/lib/ase/test/calculator/conftest.py -> build/bdist.linux-i686/wheel/./ase/test/calculator copying build/lib/ase/test/calculator/test_harmonic.py -> build/bdist.linux-i686/wheel/./ase/test/calculator -copying build/lib/ase/test/calculator/test_bond_polarizability.py -> build/bdist.linux-i686/wheel/./ase/test/calculator -copying build/lib/ase/test/calculator/test_h2.py -> build/bdist.linux-i686/wheel/./ase/test/calculator -copying build/lib/ase/test/calculator/test_mopac.py -> build/bdist.linux-i686/wheel/./ase/test/calculator -copying build/lib/ase/test/calculator/test_h2_bond_force.py -> build/bdist.linux-i686/wheel/./ase/test/calculator -creating build/bdist.linux-i686/wheel/ase/test/calculator/cp2k -copying build/lib/ase/test/calculator/cp2k/test_cp2k_dcd.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/cp2k -copying build/lib/ase/test/calculator/cp2k/test_cp2k_many.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/cp2k -copying build/lib/ase/test/calculator/cp2k/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/cp2k -copying build/lib/ase/test/calculator/cp2k/test_cp2k_H2_None.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/cp2k -copying build/lib/ase/test/calculator/cp2k/test_cp2k_stress.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/cp2k -copying build/lib/ase/test/calculator/cp2k/test_cp2k_restart.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/cp2k -creating build/bdist.linux-i686/wheel/ase/test/calculator/turbomole -copying build/lib/ase/test/calculator/turbomole/test_turbomole_qmmm.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/turbomole -copying build/lib/ase/test/calculator/turbomole/test_turbomole_optimizer.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/turbomole -copying build/lib/ase/test/calculator/turbomole/test_turbomole_h3o2m.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/turbomole -copying build/lib/ase/test/calculator/turbomole/test_turbomole_2h2o.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/turbomole -copying build/lib/ase/test/calculator/turbomole/test_turbomole_reader.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/turbomole -copying build/lib/ase/test/calculator/turbomole/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/turbomole -copying build/lib/ase/test/calculator/turbomole/test_turbomole_parameters.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/turbomole -copying build/lib/ase/test/calculator/turbomole/test_turbomole_au13.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/turbomole -copying build/lib/ase/test/calculator/turbomole/test_turbomole_h2o.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/turbomole -copying build/lib/ase/test/calculator/turbomole/test_turbomole_calculator.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/turbomole -copying build/lib/ase/test/calculator/turbomole/test_turbomole_statpt.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/turbomole -copying build/lib/ase/test/calculator/turbomole/test_turbomole_H2.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/turbomole creating build/bdist.linux-i686/wheel/ase/test/calculator/siesta +copying build/lib/ase/test/calculator/siesta/test_siesta_zmat.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta +copying build/lib/ase/test/calculator/siesta/test_bandstructure.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta copying build/lib/ase/test/calculator/siesta/test_dos.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta creating build/bdist.linux-i686/wheel/ase/test/calculator/siesta/test_scripts -creating build/bdist.linux-i686/wheel/ase/test/calculator/siesta/test_scripts/Charge -copying build/lib/ase/test/calculator/siesta/test_scripts/Charge/script.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta/test_scripts/Charge -creating build/bdist.linux-i686/wheel/ase/test/calculator/siesta/test_scripts/Na8 -copying build/lib/ase/test/calculator/siesta/test_scripts/Na8/script.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta/test_scripts/Na8 -copying build/lib/ase/test/calculator/siesta/test_scripts/Na8/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta/test_scripts/Na8 -copying build/lib/ase/test/calculator/siesta/test_scripts/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta/test_scripts -creating build/bdist.linux-i686/wheel/ase/test/calculator/siesta/test_scripts/H2 -copying build/lib/ase/test/calculator/siesta/test_scripts/H2/script.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta/test_scripts/H2 -copying build/lib/ase/test/calculator/siesta/test_scripts/H2/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta/test_scripts/H2 creating build/bdist.linux-i686/wheel/ase/test/calculator/siesta/test_scripts/Si copying build/lib/ase/test/calculator/siesta/test_scripts/Si/script.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta/test_scripts/Si copying build/lib/ase/test/calculator/siesta/test_scripts/Si/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta/test_scripts/Si +creating build/bdist.linux-i686/wheel/ase/test/calculator/siesta/test_scripts/Na8 +copying build/lib/ase/test/calculator/siesta/test_scripts/Na8/script.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta/test_scripts/Na8 +copying build/lib/ase/test/calculator/siesta/test_scripts/Na8/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta/test_scripts/Na8 creating build/bdist.linux-i686/wheel/ase/test/calculator/siesta/test_scripts/CH4 copying build/lib/ase/test/calculator/siesta/test_scripts/CH4/script.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta/test_scripts/CH4 copying build/lib/ase/test/calculator/siesta/test_scripts/CH4/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta/test_scripts/CH4 -copying build/lib/ase/test/calculator/siesta/test_siesta_zmat.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta -copying build/lib/ase/test/calculator/siesta/test_bandstructure.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta -copying build/lib/ase/test/calculator/siesta/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta -copying build/lib/ase/test/calculator/siesta/test_write_input.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta -copying build/lib/ase/test/calculator/siesta/test_siesta_read_eigenvalues.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta -copying build/lib/ase/test/calculator/siesta/test_fdf_io.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta +creating build/bdist.linux-i686/wheel/ase/test/calculator/siesta/test_scripts/H2 +copying build/lib/ase/test/calculator/siesta/test_scripts/H2/script.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta/test_scripts/H2 +copying build/lib/ase/test/calculator/siesta/test_scripts/H2/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta/test_scripts/H2 +copying build/lib/ase/test/calculator/siesta/test_scripts/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta/test_scripts +creating build/bdist.linux-i686/wheel/ase/test/calculator/siesta/test_scripts/Charge +copying build/lib/ase/test/calculator/siesta/test_scripts/Charge/script.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta/test_scripts/Charge copying build/lib/ase/test/calculator/siesta/test_siesta_version.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta creating build/bdist.linux-i686/wheel/ase/test/calculator/siesta/lrtddft -copying build/lib/ase/test/calculator/siesta/lrtddft/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta/lrtddft -copying build/lib/ase/test/calculator/siesta/lrtddft/test_siesta_lrtddft.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta/lrtddft copying build/lib/ase/test/calculator/siesta/lrtddft/test_siesta_raman.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta/lrtddft -creating build/bdist.linux-i686/wheel/ase/test/calculator/socketio -copying build/lib/ase/test/calculator/socketio/test_h2_stiffness.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/socketio -copying build/lib/ase/test/calculator/socketio/test_python_interface.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/socketio -copying build/lib/ase/test/calculator/socketio/test_integration.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/socketio -copying build/lib/ase/test/calculator/socketio/test_socket_io_mpi_line.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/socketio -copying build/lib/ase/test/calculator/socketio/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/socketio -copying build/lib/ase/test/calculator/socketio/test_ipi_protocol_bfgs.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/socketio -copying build/lib/ase/test/calculator/test_gulp.py -> build/bdist.linux-i686/wheel/./ase/test/calculator +copying build/lib/ase/test/calculator/siesta/lrtddft/test_siesta_lrtddft.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta/lrtddft +copying build/lib/ase/test/calculator/siesta/lrtddft/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta/lrtddft +copying build/lib/ase/test/calculator/siesta/test_write_input.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta +copying build/lib/ase/test/calculator/siesta/test_siesta_read_eigenvalues.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta +copying build/lib/ase/test/calculator/siesta/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta +copying build/lib/ase/test/calculator/siesta/test_fdf_io.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/siesta creating build/bdist.linux-i686/wheel/ase/test/calculator/exciting copying build/lib/ase/test/calculator/exciting/conftest.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/exciting +copying build/lib/ase/test/calculator/exciting/test_runner.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/exciting copying build/lib/ase/test/calculator/exciting/test_exciting.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/exciting copying build/lib/ase/test/calculator/exciting/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/exciting -copying build/lib/ase/test/calculator/exciting/test_runner.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/exciting -copying build/lib/ase/test/calculator/conftest.py -> build/bdist.linux-i686/wheel/./ase/test/calculator -creating build/bdist.linux-i686/wheel/ase/test/calculator/octopus -copying build/lib/ase/test/calculator/octopus/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/octopus -copying build/lib/ase/test/calculator/octopus/test_big.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/octopus +creating build/bdist.linux-i686/wheel/ase/test/calculator/psi4 +copying build/lib/ase/test/calculator/psi4/test_psi4_HF_3_21G.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/psi4 +copying build/lib/ase/test/calculator/psi4/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/psi4 +creating build/bdist.linux-i686/wheel/ase/test/calculator/lammpsrun +copying build/lib/ase/test/calculator/lammpsrun/test_lammps_units.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammpsrun +copying build/lib/ase/test/calculator/lammpsrun/test_Pt_stress_cellopt.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammpsrun +copying build/lib/ase/test/calculator/lammpsrun/test_NaCl_minimize.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammpsrun +copying build/lib/ase/test/calculator/lammpsrun/test_Pt_md_constraints_multistep.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammpsrun +copying build/lib/ase/test/calculator/lammpsrun/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammpsrun +copying build/lib/ase/test/calculator/lammpsrun/test_no_data_file_wrap.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammpsrun +copying build/lib/ase/test/calculator/lammpsrun/test_Ar_minimize.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammpsrun +creating build/bdist.linux-i686/wheel/ase/test/calculator/gamess_us +copying build/lib/ase/test/calculator/gamess_us/test_basis_ecp.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/gamess_us +copying build/lib/ase/test/calculator/gamess_us/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/gamess_us +copying build/lib/ase/test/calculator/gamess_us/test_gamess_us.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/gamess_us +creating build/bdist.linux-i686/wheel/ase/test/calculator/qchem +copying build/lib/ase/test/calculator/qchem/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/qchem +copying build/lib/ase/test/calculator/qchem/test_qchem_calculator.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/qchem +creating build/bdist.linux-i686/wheel/ase/test/calculator/nwchem +copying build/lib/ase/test/calculator/nwchem/test_nwchem_bands.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/nwchem +copying build/lib/ase/test/calculator/nwchem/test_nwchem_multitask.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/nwchem +copying build/lib/ase/test/calculator/nwchem/test_nwchem_runmany.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/nwchem +copying build/lib/ase/test/calculator/nwchem/test_nwchem_version.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/nwchem +copying build/lib/ase/test/calculator/nwchem/test_nwchem_eigenvalues.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/nwchem +copying build/lib/ase/test/calculator/nwchem/test_nwchem_broken_symmetry.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/nwchem +copying build/lib/ase/test/calculator/nwchem/test_nwchem_h3o2m.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/nwchem +copying build/lib/ase/test/calculator/nwchem/test_nwchem_parser.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/nwchem +copying build/lib/ase/test/calculator/nwchem/test_nwchem_cmdline.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/nwchem +copying build/lib/ase/test/calculator/nwchem/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/nwchem +copying build/lib/ase/test/calculator/nwchem/test_nwchem_stress.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/nwchem +copying build/lib/ase/test/calculator/nwchem/test_nwchem_spin_symmetry.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/nwchem creating build/bdist.linux-i686/wheel/ase/test/calculator/demonnano -copying build/lib/ase/test/calculator/demonnano/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/demonnano copying build/lib/ase/test/calculator/demonnano/test_h2o.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/demonnano +copying build/lib/ase/test/calculator/demonnano/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/demonnano +creating build/bdist.linux-i686/wheel/ase/test/calculator/lammpslib +copying build/lib/ase/test/calculator/lammpslib/conftest.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammpslib +copying build/lib/ase/test/calculator/lammpslib/test_lammpslib_post_changebox_cmds.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammpslib +copying build/lib/ase/test/calculator/lammpslib/test_lammpslib_neighlist_bug.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammpslib +copying build/lib/ase/test/calculator/lammpslib/test_Pt_stress_cellopt.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammpslib +copying build/lib/ase/test/calculator/lammpslib/test_lammpslib_simple.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammpslib +copying build/lib/ase/test/calculator/lammpslib/test_lammpslib_change_cell_bcs.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammpslib +copying build/lib/ase/test/calculator/lammpslib/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammpslib +copying build/lib/ase/test/calculator/lammpslib/test_lammpslib_small_nonperiodic.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammpslib +copying build/lib/ase/test/calculator/test_gulp_opt.py -> build/bdist.linux-i686/wheel/./ase/test/calculator +creating build/bdist.linux-i686/wheel/ase/test/calculator/vasp +copying build/lib/ase/test/calculator/vasp/test_version.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp +copying build/lib/ase/test/calculator/vasp/test_chgcar.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp +copying build/lib/ase/test/calculator/vasp/conftest.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp +copying build/lib/ase/test/calculator/vasp/test_vasp_input.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp +copying build/lib/ase/test/calculator/vasp/test_vasp_potcar.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp +copying build/lib/ase/test/calculator/vasp/test_vasp_get_dos.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp +copying build/lib/ase/test/calculator/vasp/test_vasp_check_state.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp +copying build/lib/ase/test/calculator/vasp/test_vasp_xml.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp +copying build/lib/ase/test/calculator/vasp/test_vasp_calculator.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp +copying build/lib/ase/test/calculator/vasp/test_vasp_converge.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp +copying build/lib/ase/test/calculator/vasp/test_vasp_incar.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp +copying build/lib/ase/test/calculator/vasp/test_vasp_errors.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp +copying build/lib/ase/test/calculator/vasp/filecmp_ignore_whitespace.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp +copying build/lib/ase/test/calculator/vasp/test_vasp_kpoints.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp +copying build/lib/ase/test/calculator/vasp/test_vasp_Al_volrelax.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp +copying build/lib/ase/test/calculator/vasp/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp +copying build/lib/ase/test/calculator/vasp/test_vasp_co.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp +copying build/lib/ase/test/calculator/vasp/test_vasp_setup.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp +copying build/lib/ase/test/calculator/vasp/test_vasp_charge.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp +copying build/lib/ase/test/calculator/vasp/test_vasp_freq.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp +copying build/lib/ase/test/calculator/vasp/test_vasp_wdir.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/vasp +creating build/bdist.linux-i686/wheel/ase/test/calculator/dmol +copying build/lib/ase/test/calculator/dmol/test_water_dmol.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/dmol +copying build/lib/ase/test/calculator/dmol/test_Al_dmol.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/dmol +copying build/lib/ase/test/calculator/dmol/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/dmol +copying build/lib/ase/test/calculator/test_traj.py -> build/bdist.linux-i686/wheel/./ase/test/calculator +creating build/bdist.linux-i686/wheel/ase/test/calculator/lammps +copying build/lib/ase/test/calculator/lammps/test_prism.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammps +copying build/lib/ase/test/calculator/lammps/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammps creating build/bdist.linux-i686/wheel/ase/test/calculator/castep copying build/lib/ase/test/calculator/castep/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/castep copying build/lib/ase/test/calculator/castep/test_castep_interface.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/castep +creating build/bdist.linux-i686/wheel/ase/test/calculator/socketio +copying build/lib/ase/test/calculator/socketio/test_socket_io_mpi_line.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/socketio +copying build/lib/ase/test/calculator/socketio/test_integration.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/socketio +copying build/lib/ase/test/calculator/socketio/test_python_interface.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/socketio +copying build/lib/ase/test/calculator/socketio/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/socketio +copying build/lib/ase/test/calculator/socketio/test_h2_stiffness.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/socketio +copying build/lib/ase/test/calculator/socketio/test_ipi_protocol_bfgs.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/socketio +copying build/lib/ase/test/calculator/test_bond_polarizability.py -> build/bdist.linux-i686/wheel/./ase/test/calculator +creating build/bdist.linux-i686/wheel/ase/test/calculator/aims +copying build/lib/ase/test/calculator/aims/test_version.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/aims +copying build/lib/ase/test/calculator/aims/test_H2O_aims.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/aims +copying build/lib/ase/test/calculator/aims/test_aims_interface.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/aims +copying build/lib/ase/test/calculator/aims/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/aims +creating build/bdist.linux-i686/wheel/ase/test/calculator/plumed +copying build/lib/ase/test/calculator/plumed/test_plumed.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/plumed +copying build/lib/ase/test/calculator/plumed/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/plumed +creating build/bdist.linux-i686/wheel/ase/test/calculator/abinit +copying build/lib/ase/test/calculator/abinit/test_main.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/abinit +copying build/lib/ase/test/calculator/abinit/test_abinit_cmdline.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/abinit +copying build/lib/ase/test/calculator/abinit/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/abinit +copying build/lib/ase/test/calculator/test_eam.py -> build/bdist.linux-i686/wheel/./ase/test/calculator +copying build/lib/ase/test/calculator/test_command.py -> build/bdist.linux-i686/wheel/./ase/test/calculator +copying build/lib/ase/test/calculator/test_al.py -> build/bdist.linux-i686/wheel/./ase/test/calculator +copying build/lib/ase/test/calculator/test_mopac.py -> build/bdist.linux-i686/wheel/./ase/test/calculator +creating build/bdist.linux-i686/wheel/ase/test/calculator/demon +copying build/lib/ase/test/calculator/demon/test_h2o_xas_xes.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/demon +copying build/lib/ase/test/calculator/demon/test_h2o.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/demon +copying build/lib/ase/test/calculator/demon/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/demon +creating build/bdist.linux-i686/wheel/ase/test/calculator/amber +copying build/lib/ase/test/calculator/amber/test_amber.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/amber +copying build/lib/ase/test/calculator/amber/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/amber +creating build/bdist.linux-i686/wheel/ase/test/calculator/ace +copying build/lib/ase/test/calculator/ace/test_ace.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/ace +copying build/lib/ase/test/calculator/ace/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/ace +copying build/lib/ase/test/calculator/ace/test_ace_calculator.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/ace +copying build/lib/ase/test/calculator/test_calculator.py -> build/bdist.linux-i686/wheel/./ase/test/calculator +creating build/bdist.linux-i686/wheel/ase/test/calculator/octopus +copying build/lib/ase/test/calculator/octopus/test_big.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/octopus +copying build/lib/ase/test/calculator/octopus/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/octopus +copying build/lib/ase/test/calculator/test_si_stress.py -> build/bdist.linux-i686/wheel/./ase/test/calculator +copying build/lib/ase/test/calculator/test_orca.py -> build/bdist.linux-i686/wheel/./ase/test/calculator +creating build/bdist.linux-i686/wheel/ase/test/calculator/elk +copying build/lib/ase/test/calculator/elk/test_elk.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/elk +copying build/lib/ase/test/calculator/elk/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/elk creating build/bdist.linux-i686/wheel/ase/test/calculator/gaussian copying build/lib/ase/test/calculator/gaussian/test_h2of.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/gaussian copying build/lib/ase/test/calculator/gaussian/test_water.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/gaussian -copying build/lib/ase/test/calculator/gaussian/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/gaussian copying build/lib/ase/test/calculator/gaussian/test_optimizer_irc.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/gaussian -copying build/lib/ase/test/calculator/test_al.py -> build/bdist.linux-i686/wheel/./ase/test/calculator -creating build/bdist.linux-i686/wheel/ase/test/calculator/onetep -copying build/lib/ase/test/calculator/onetep/test_onetep.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/onetep -copying build/lib/ase/test/calculator/onetep/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/onetep -copying build/lib/ase/test/calculator/test_eam.py -> build/bdist.linux-i686/wheel/./ase/test/calculator -creating build/bdist.linux-i686/wheel/ase/test/calculator/dftb -copying build/lib/ase/test/calculator/dftb/test_dftb_relax_dimer.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/dftb -copying build/lib/ase/test/calculator/dftb/test_xtb_static.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/dftb -copying build/lib/ase/test/calculator/dftb/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/dftb -copying build/lib/ase/test/calculator/dftb/test_dftb_relax_bulk.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/dftb -copying build/lib/ase/test/calculator/dftb/test_dftb_relax_surface.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/dftb -copying build/lib/ase/test/calculator/dftb/test_dftb_bandstructure.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/dftb -copying build/lib/ase/test/calculator/dftb/test_dipole.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/dftb +copying build/lib/ase/test/calculator/gaussian/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/gaussian +creating build/bdist.linux-i686/wheel/ase/test/calculator/gromacs +copying build/lib/ase/test/calculator/gromacs/test_gromacs.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/gromacs +copying build/lib/ase/test/calculator/gromacs/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/gromacs +copying build/lib/ase/test/calculator/test_subprocess_calculator.py -> build/bdist.linux-i686/wheel/./ase/test/calculator +copying build/lib/ase/test/calculator/test_polarizability.py -> build/bdist.linux-i686/wheel/./ase/test/calculator +copying build/lib/ase/test/calculator/test_orca_qmmm.py -> build/bdist.linux-i686/wheel/./ase/test/calculator +copying build/lib/ase/test/calculator/test_h2.py -> build/bdist.linux-i686/wheel/./ase/test/calculator +creating build/bdist.linux-i686/wheel/ase/test/calculator/cp2k +copying build/lib/ase/test/calculator/cp2k/test_cp2k_dcd.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/cp2k +copying build/lib/ase/test/calculator/cp2k/test_cp2k_many.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/cp2k +copying build/lib/ase/test/calculator/cp2k/test_cp2k_restart.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/cp2k +copying build/lib/ase/test/calculator/cp2k/test_cp2k_H2_None.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/cp2k +copying build/lib/ase/test/calculator/cp2k/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/cp2k +copying build/lib/ase/test/calculator/cp2k/test_cp2k_stress.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/cp2k copying build/lib/ase/test/calculator/test_lj.py -> build/bdist.linux-i686/wheel/./ase/test/calculator +copying build/lib/ase/test/calculator/test_ch4_energy.py -> build/bdist.linux-i686/wheel/./ase/test/calculator creating build/bdist.linux-i686/wheel/ase/test/calculator/kim +copying build/lib/ase/test/calculator/kim/test_energy_forces_stress.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/kim copying build/lib/ase/test/calculator/kim/test_cutoff_skin.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/kim -copying build/lib/ase/test/calculator/kim/test_modify_parameters.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/kim copying build/lib/ase/test/calculator/kim/test_update_coords.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/kim -copying build/lib/ase/test/calculator/kim/test_energy_forces_stress.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/kim -copying build/lib/ase/test/calculator/kim/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/kim -copying build/lib/ase/test/calculator/kim/test_multi_neighlist.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/kim -copying build/lib/ase/test/calculator/kim/test_update_neighbor_parameters.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/kim copying build/lib/ase/test/calculator/kim/test_single_atom.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/kim copying build/lib/ase/test/calculator/kim/test_relax.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/kim -creating build/bdist.linux-i686/wheel/ase/test/calculator/aims -copying build/lib/ase/test/calculator/aims/test_H2O_aims.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/aims -copying build/lib/ase/test/calculator/aims/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/aims -copying build/lib/ase/test/calculator/aims/test_aims_interface.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/aims -copying build/lib/ase/test/calculator/aims/test_version.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/aims -copying build/lib/ase/test/calculator/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator -creating build/bdist.linux-i686/wheel/ase/test/calculator/elk -copying build/lib/ase/test/calculator/elk/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/elk -copying build/lib/ase/test/calculator/elk/test_elk.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/elk -creating build/bdist.linux-i686/wheel/ase/test/calculator/lammpslib -copying build/lib/ase/test/calculator/lammpslib/test_lammpslib_neighlist_bug.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammpslib -copying build/lib/ase/test/calculator/lammpslib/test_lammpslib_simple.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammpslib -copying build/lib/ase/test/calculator/lammpslib/test_lammpslib_small_nonperiodic.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammpslib -copying build/lib/ase/test/calculator/lammpslib/conftest.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammpslib -copying build/lib/ase/test/calculator/lammpslib/test_Pt_stress_cellopt.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammpslib -copying build/lib/ase/test/calculator/lammpslib/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammpslib -copying build/lib/ase/test/calculator/lammpslib/test_lammpslib_post_changebox_cmds.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammpslib -copying build/lib/ase/test/calculator/lammpslib/test_lammpslib_change_cell_bcs.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammpslib -copying build/lib/ase/test/calculator/test_orca.py -> build/bdist.linux-i686/wheel/./ase/test/calculator -creating build/bdist.linux-i686/wheel/ase/test/calculator/amber -copying build/lib/ase/test/calculator/amber/test_amber.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/amber -copying build/lib/ase/test/calculator/amber/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/amber -copying build/lib/ase/test/calculator/test_si_stress.py -> build/bdist.linux-i686/wheel/./ase/test/calculator -creating build/bdist.linux-i686/wheel/ase/test/calculator/abinit -copying build/lib/ase/test/calculator/abinit/test_abinit_cmdline.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/abinit -copying build/lib/ase/test/calculator/abinit/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/abinit -copying build/lib/ase/test/calculator/abinit/test_main.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/abinit -copying build/lib/ase/test/calculator/test_calculator.py -> build/bdist.linux-i686/wheel/./ase/test/calculator +copying build/lib/ase/test/calculator/kim/test_multi_neighlist.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/kim +copying build/lib/ase/test/calculator/kim/test_update_neighbor_parameters.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/kim +copying build/lib/ase/test/calculator/kim/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/kim +copying build/lib/ase/test/calculator/kim/test_modify_parameters.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/kim +copying build/lib/ase/test/calculator/test_gulp.py -> build/bdist.linux-i686/wheel/./ase/test/calculator creating build/bdist.linux-i686/wheel/ase/test/calculator/espresso copying build/lib/ase/test/calculator/espresso/test_espresso.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/espresso copying build/lib/ase/test/calculator/espresso/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/espresso -creating build/bdist.linux-i686/wheel/ase/test/calculator/ace -copying build/lib/ase/test/calculator/ace/test_ace.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/ace -copying build/lib/ase/test/calculator/ace/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/ace -copying build/lib/ase/test/calculator/ace/test_ace_calculator.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/ace -creating build/bdist.linux-i686/wheel/ase/test/calculator/psi4 -copying build/lib/ase/test/calculator/psi4/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/psi4 -copying build/lib/ase/test/calculator/psi4/test_psi4_HF_3_21G.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/psi4 -copying build/lib/ase/test/calculator/test_subprocess_calculator.py -> build/bdist.linux-i686/wheel/./ase/test/calculator -copying build/lib/ase/test/calculator/test_h2morse.py -> build/bdist.linux-i686/wheel/./ase/test/calculator -creating build/bdist.linux-i686/wheel/ase/test/calculator/lammpsrun -copying build/lib/ase/test/calculator/lammpsrun/test_Pt_md_constraints_multistep.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammpsrun -copying build/lib/ase/test/calculator/lammpsrun/test_Pt_stress_cellopt.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammpsrun -copying build/lib/ase/test/calculator/lammpsrun/test_Ar_minimize.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammpsrun -copying build/lib/ase/test/calculator/lammpsrun/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammpsrun -copying build/lib/ase/test/calculator/lammpsrun/test_NaCl_minimize.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammpsrun -copying build/lib/ase/test/calculator/lammpsrun/test_no_data_file_wrap.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammpsrun -copying build/lib/ase/test/calculator/lammpsrun/test_lammps_units.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammpsrun -copying build/lib/ase/test/calculator/test_ch4_energy.py -> build/bdist.linux-i686/wheel/./ase/test/calculator -creating build/bdist.linux-i686/wheel/ase/test/calculator/plumed -copying build/lib/ase/test/calculator/plumed/test_plumed.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/plumed -copying build/lib/ase/test/calculator/plumed/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/plumed +copying build/lib/ase/test/calculator/test_fd.py -> build/bdist.linux-i686/wheel/./ase/test/calculator +creating build/bdist.linux-i686/wheel/ase/test/calculator/turbomole +copying build/lib/ase/test/calculator/turbomole/test_turbomole_h2o.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/turbomole +copying build/lib/ase/test/calculator/turbomole/test_turbomole_2h2o.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/turbomole +copying build/lib/ase/test/calculator/turbomole/test_turbomole_statpt.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/turbomole +copying build/lib/ase/test/calculator/turbomole/test_turbomole_parameters.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/turbomole +copying build/lib/ase/test/calculator/turbomole/test_turbomole_au13.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/turbomole +copying build/lib/ase/test/calculator/turbomole/test_turbomole_H2.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/turbomole +copying build/lib/ase/test/calculator/turbomole/test_turbomole_h3o2m.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/turbomole +copying build/lib/ase/test/calculator/turbomole/test_turbomole_calculator.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/turbomole +copying build/lib/ase/test/calculator/turbomole/test_turbomole_qmmm.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/turbomole +copying build/lib/ase/test/calculator/turbomole/test_turbomole_reader.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/turbomole +copying build/lib/ase/test/calculator/turbomole/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/turbomole +copying build/lib/ase/test/calculator/turbomole/test_turbomole_optimizer.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/turbomole +copying build/lib/ase/test/calculator/test_ts09.py -> build/bdist.linux-i686/wheel/./ase/test/calculator +copying build/lib/ase/test/calculator/test_mopac_version.py -> build/bdist.linux-i686/wheel/./ase/test/calculator +copying build/lib/ase/test/calculator/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator +copying build/lib/ase/test/calculator/test_eam_run.py -> build/bdist.linux-i686/wheel/./ase/test/calculator +creating build/bdist.linux-i686/wheel/ase/test/calculator/crystal +copying build/lib/ase/test/calculator/crystal/test_bulk.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/crystal +copying build/lib/ase/test/calculator/crystal/test_graphene.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/crystal +copying build/lib/ase/test/calculator/crystal/test_molecule.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/crystal +copying build/lib/ase/test/calculator/crystal/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/crystal +copying build/lib/ase/test/calculator/test_morse.py -> build/bdist.linux-i686/wheel/./ase/test/calculator +creating build/bdist.linux-i686/wheel/ase/test/calculator/dftb +copying build/lib/ase/test/calculator/dftb/test_dftb_relax_bulk.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/dftb +copying build/lib/ase/test/calculator/dftb/test_dftb_bandstructure.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/dftb +copying build/lib/ase/test/calculator/dftb/test_dftb_relax_surface.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/dftb +copying build/lib/ase/test/calculator/dftb/test_xtb_static.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/dftb +copying build/lib/ase/test/calculator/dftb/test_dftb_relax_dimer.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/dftb +copying build/lib/ase/test/calculator/dftb/test_dipole.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/dftb +copying build/lib/ase/test/calculator/dftb/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/dftb creating build/bdist.linux-i686/wheel/ase/test/calculator/openmx -copying build/lib/ase/test/calculator/openmx/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/openmx -copying build/lib/ase/test/calculator/openmx/test_md.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/openmx copying build/lib/ase/test/calculator/openmx/test_version.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/openmx -copying build/lib/ase/test/calculator/test_morse.py -> build/bdist.linux-i686/wheel/./ase/test/calculator -copying build/lib/ase/test/calculator/test_mopac_version.py -> build/bdist.linux-i686/wheel/./ase/test/calculator -copying build/lib/ase/test/calculator/test_fd.py -> build/bdist.linux-i686/wheel/./ase/test/calculator -copying build/lib/ase/test/calculator/test_command.py -> build/bdist.linux-i686/wheel/./ase/test/calculator -creating build/bdist.linux-i686/wheel/ase/test/calculator/dmol -copying build/lib/ase/test/calculator/dmol/test_water_dmol.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/dmol -copying build/lib/ase/test/calculator/dmol/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/dmol -copying build/lib/ase/test/calculator/dmol/test_Al_dmol.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/dmol -creating build/bdist.linux-i686/wheel/ase/test/calculator/lammps -copying build/lib/ase/test/calculator/lammps/test_prism.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammps -copying build/lib/ase/test/calculator/lammps/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/lammps -creating build/bdist.linux-i686/wheel/ase/test/calculator/nwchem -copying build/lib/ase/test/calculator/nwchem/test_nwchem_multitask.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/nwchem -copying build/lib/ase/test/calculator/nwchem/test_nwchem_parser.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/nwchem -copying build/lib/ase/test/calculator/nwchem/test_nwchem_eigenvalues.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/nwchem -copying build/lib/ase/test/calculator/nwchem/test_nwchem_cmdline.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/nwchem -copying build/lib/ase/test/calculator/nwchem/test_nwchem_spin_symmetry.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/nwchem -copying build/lib/ase/test/calculator/nwchem/test_nwchem_stress.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/nwchem -copying build/lib/ase/test/calculator/nwchem/test_nwchem_version.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/nwchem -copying build/lib/ase/test/calculator/nwchem/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/nwchem -copying build/lib/ase/test/calculator/nwchem/test_nwchem_bands.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/nwchem -copying build/lib/ase/test/calculator/nwchem/test_nwchem_runmany.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/nwchem -copying build/lib/ase/test/calculator/nwchem/test_nwchem_broken_symmetry.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/nwchem -copying build/lib/ase/test/calculator/nwchem/test_nwchem_h3o2m.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/nwchem -creating build/bdist.linux-i686/wheel/ase/test/calculator/demon -copying build/lib/ase/test/calculator/demon/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/demon -copying build/lib/ase/test/calculator/demon/test_h2o.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/demon -copying build/lib/ase/test/calculator/demon/test_h2o_xas_xes.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/demon +copying build/lib/ase/test/calculator/openmx/test_md.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/openmx +copying build/lib/ase/test/calculator/openmx/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/openmx +copying build/lib/ase/test/calculator/test_h2_bond_force.py -> build/bdist.linux-i686/wheel/./ase/test/calculator +creating build/bdist.linux-i686/wheel/ase/test/calculator/gpaw_ +copying build/lib/ase/test/calculator/gpaw_/test_no_spin_and_spin.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/gpaw_ +copying build/lib/ase/test/calculator/gpaw_/test_read_text_output.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/gpaw_ +copying build/lib/ase/test/calculator/gpaw_/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/gpaw_ +copying build/lib/ase/test/calculator/gpaw_/test_wannier.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/gpaw_ copying build/lib/ase/test/calculator/test_dftd3.py -> build/bdist.linux-i686/wheel/./ase/test/calculator -copying build/lib/ase/test/calculator/test_eam_run.py -> build/bdist.linux-i686/wheel/./ase/test/calculator -copying build/lib/ase/test/calculator/test_orca_qmmm.py -> build/bdist.linux-i686/wheel/./ase/test/calculator -creating build/bdist.linux-i686/wheel/ase/test/calculator/gromacs -copying build/lib/ase/test/calculator/gromacs/test_gromacs.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/gromacs -copying build/lib/ase/test/calculator/gromacs/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/gromacs -creating build/bdist.linux-i686/wheel/ase/test/calculator/qchem -copying build/lib/ase/test/calculator/qchem/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/qchem -copying build/lib/ase/test/calculator/qchem/test_qchem_calculator.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/qchem -creating build/bdist.linux-i686/wheel/ase/test/calculator/gamess_us -copying build/lib/ase/test/calculator/gamess_us/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/gamess_us -copying build/lib/ase/test/calculator/gamess_us/test_basis_ecp.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/gamess_us -copying build/lib/ase/test/calculator/gamess_us/test_gamess_us.py -> build/bdist.linux-i686/wheel/./ase/test/calculator/gamess_us +copying build/lib/ase/test/test_mixingcalc.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_filecache.py -> build/bdist.linux-i686/wheel/./ase/test +creating build/bdist.linux-i686/wheel/ase/test/testdata +copying build/lib/ase/test/testdata/nomad-images.nomad-json -> build/bdist.linux-i686/wheel/./ase/test/testdata +copying build/lib/ase/test/testdata/onetep_include_nested.dat -> build/bdist.linux-i686/wheel/./ase/test/testdata +copying build/lib/ase/test/testdata/README.md -> build/bdist.linux-i686/wheel/./ase/test/testdata +copying build/lib/ase/test/testdata/qbox_04_md_ntc.reference.xml -> build/bdist.linux-i686/wheel/./ase/test/testdata +creating build/bdist.linux-i686/wheel/ase/test/testdata/siesta +copying build/lib/ase/test/testdata/siesta/siesta.EIG -> build/bdist.linux-i686/wheel/./ase/test/testdata/siesta +creating build/bdist.linux-i686/wheel/ase/test/testdata/nwchem +copying build/lib/ase/test/testdata/nwchem/snippet_multipole_7.0.2-gcc.nwo -> build/bdist.linux-i686/wheel/./ase/test/testdata/nwchem +copying build/lib/ase/test/testdata/nwchem/snippet_multipole_7.0.2-intel.nwo -> build/bdist.linux-i686/wheel/./ase/test/testdata/nwchem +creating build/bdist.linux-i686/wheel/ase/test/testdata/vasp +copying build/lib/ase/test/testdata/vasp/OUTCAR_example_1 -> build/bdist.linux-i686/wheel/./ase/test/testdata/vasp +creating build/bdist.linux-i686/wheel/ase/test/testdata/vasp/Li +copying build/lib/ase/test/testdata/vasp/Li/CHG -> build/bdist.linux-i686/wheel/./ase/test/testdata/vasp/Li +copying build/lib/ase/test/testdata/vasp/convergence_OUTCAR_n_y -> build/bdist.linux-i686/wheel/./ase/test/testdata/vasp +copying build/lib/ase/test/testdata/vasp/convergence_OUTCAR_y_y -> build/bdist.linux-i686/wheel/./ase/test/testdata/vasp +copying build/lib/ase/test/testdata/vasp/POSCAR_example_1 -> build/bdist.linux-i686/wheel/./ase/test/testdata/vasp +copying build/lib/ase/test/testdata/vasp/convergence_OUTCAR_y_n -> build/bdist.linux-i686/wheel/./ase/test/testdata/vasp +copying build/lib/ase/test/testdata/vasp/vasprun_dfpt.xml -> build/bdist.linux-i686/wheel/./ase/test/testdata/vasp +copying build/lib/ase/test/testdata/opls_structure_ext.xyz -> build/bdist.linux-i686/wheel/./ase/test/testdata +creating build/bdist.linux-i686/wheel/ase/test/testdata/castep +copying build/lib/ase/test/testdata/castep/md.castep -> build/bdist.linux-i686/wheel/./ase/test/testdata/castep +creating build/bdist.linux-i686/wheel/ase/test/testdata/aims +copying build/lib/ase/test/testdata/aims/numerical_stress.out -> build/bdist.linux-i686/wheel/./ase/test/testdata/aims +copying build/lib/ase/test/testdata/aims/polarization.out -> build/bdist.linux-i686/wheel/./ase/test/testdata/aims +copying build/lib/ase/test/testdata/aims/singlepoint.out -> build/bdist.linux-i686/wheel/./ase/test/testdata/aims +copying build/lib/ase/test/testdata/aims/md.out -> build/bdist.linux-i686/wheel/./ase/test/testdata/aims +copying build/lib/ase/test/testdata/aims/issue_3345_spin_md_light.out -> build/bdist.linux-i686/wheel/./ase/test/testdata/aims +copying build/lib/ase/test/testdata/aims/preamble_fail.out -> build/bdist.linux-i686/wheel/./ase/test/testdata/aims +copying build/lib/ase/test/testdata/aims/relax.out -> build/bdist.linux-i686/wheel/./ase/test/testdata/aims +copying build/lib/ase/test/testdata/aims/socket.out -> build/bdist.linux-i686/wheel/./ase/test/testdata/aims +copying build/lib/ase/test/testdata/aims/DFPT_dielectric.out -> build/bdist.linux-i686/wheel/./ase/test/testdata/aims +creating build/bdist.linux-i686/wheel/ase/test/testdata/minerals +copying build/lib/ase/test/testdata/minerals/cod_9007661.cif -> build/bdist.linux-i686/wheel/./ase/test/testdata/minerals +copying build/lib/ase/test/testdata/minerals/cod_1010930.cif -> build/bdist.linux-i686/wheel/./ase/test/testdata/minerals +copying build/lib/ase/test/testdata/minerals/cod_1010995.cif -> build/bdist.linux-i686/wheel/./ase/test/testdata/minerals +copying build/lib/ase/test/testdata/minerals/cod_9004218.cif -> build/bdist.linux-i686/wheel/./ase/test/testdata/minerals +copying build/lib/ase/test/testdata/minerals/cod_9007640.cif -> build/bdist.linux-i686/wheel/./ase/test/testdata/minerals +copying build/lib/ase/test/testdata/minerals/cod_9004112.cif -> build/bdist.linux-i686/wheel/./ase/test/testdata/minerals +copying build/lib/ase/test/testdata/minerals/cod_9017338.cif -> build/bdist.linux-i686/wheel/./ase/test/testdata/minerals +copying build/lib/ase/test/testdata/minerals/cod_9001665.cif -> build/bdist.linux-i686/wheel/./ase/test/testdata/minerals +copying build/lib/ase/test/testdata/lammpslib_simple_input.data -> build/bdist.linux-i686/wheel/./ase/test/testdata +copying build/lib/ase/test/testdata/large_atoms.magres -> build/bdist.linux-i686/wheel/./ase/test/testdata +creating build/bdist.linux-i686/wheel/ase/test/testdata/octopus +copying build/lib/ase/test/testdata/octopus/periodic_systems_30-stress.05-output_scf_info -> build/bdist.linux-i686/wheel/./ase/test/testdata/octopus +copying build/lib/ase/test/testdata/octopus/linear_response_02-h2o_pol_lr.01_h2o_gs_info -> build/bdist.linux-i686/wheel/./ase/test/testdata/octopus +copying build/lib/ase/test/testdata/octopus/periodic_systems_03-sodium_chain.02-unocc_eigenvalues -> build/bdist.linux-i686/wheel/./ase/test/testdata/octopus +copying build/lib/ase/test/testdata/octopus/periodic_systems_25-Fe_polarized.01-gs_info -> build/bdist.linux-i686/wheel/./ase/test/testdata/octopus +copying build/lib/ase/test/testdata/gpaw_expected_text_output -> build/bdist.linux-i686/wheel/./ase/test/testdata +copying build/lib/ase/test/testdata/rotated_bz.png -> build/bdist.linux-i686/wheel/./ase/test/testdata +copying build/lib/ase/test/testdata/onetep_include.dat -> build/bdist.linux-i686/wheel/./ase/test/testdata +copying build/lib/ase/test/testdata/qbox_test.xml -> build/bdist.linux-i686/wheel/./ase/test/testdata +copying build/lib/ase/test/testdata/lammpsdata_input.data -> build/bdist.linux-i686/wheel/./ase/test/testdata +creating build/bdist.linux-i686/wheel/ase/test/testdata/io +creating build/bdist.linux-i686/wheel/ase/test/testdata/io/eon +copying build/lib/ase/test/testdata/io/eon/single.con -> build/bdist.linux-i686/wheel/./ase/test/testdata/io/eon +copying build/lib/ase/test/testdata/io/eon/multi.con -> build/bdist.linux-i686/wheel/./ase/test/testdata/io/eon +copying build/lib/ase/test/testdata/172_defs.par -> build/bdist.linux-i686/wheel/./ase/test/testdata +creating build/bdist.linux-i686/wheel/ase/test/precon +copying build/lib/ase/test/precon/test_lbfgs.py -> build/bdist.linux-i686/wheel/./ase/test/precon +copying build/lib/ase/test/precon/test_amin.py -> build/bdist.linux-i686/wheel/./ase/test/precon +copying build/lib/ase/test/precon/test_unitcellfilter.py -> build/bdist.linux-i686/wheel/./ase/test/precon +copying build/lib/ase/test/precon/test_smallcell.py -> build/bdist.linux-i686/wheel/./ase/test/precon +copying build/lib/ase/test/precon/test_precon_assembly.py -> build/bdist.linux-i686/wheel/./ase/test/precon +copying build/lib/ase/test/precon/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/precon +copying build/lib/ase/test/precon/test_ff_and_precon_c60.py -> build/bdist.linux-i686/wheel/./ase/test/precon +creating build/bdist.linux-i686/wheel/ase/test/db +copying build/lib/ase/test/db/test_mysql.py -> build/bdist.linux-i686/wheel/./ase/test/db +copying build/lib/ase/test/db/conftest.py -> build/bdist.linux-i686/wheel/./ase/test/db +copying build/lib/ase/test/db/test_cli.py -> build/bdist.linux-i686/wheel/./ase/test/db +copying build/lib/ase/test/db/test_row.py -> build/bdist.linux-i686/wheel/./ase/test/db +copying build/lib/ase/test/db/test_sqlite.py -> build/bdist.linux-i686/wheel/./ase/test/db +copying build/lib/ase/test/db/test_db_web.py -> build/bdist.linux-i686/wheel/./ase/test/db +copying build/lib/ase/test/db/test_db.py -> build/bdist.linux-i686/wheel/./ase/test/db +copying build/lib/ase/test/db/test_metadata.py -> build/bdist.linux-i686/wheel/./ase/test/db +copying build/lib/ase/test/db/test_db2.py -> build/bdist.linux-i686/wheel/./ase/test/db +copying build/lib/ase/test/db/test_jsondb.py -> build/bdist.linux-i686/wheel/./ase/test/db +copying build/lib/ase/test/db/test_table.py -> build/bdist.linux-i686/wheel/./ase/test/db +copying build/lib/ase/test/db/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/db +copying build/lib/ase/test/db/test_sql_db_ext_tables.py -> build/bdist.linux-i686/wheel/./ase/test/db +copying build/lib/ase/test/db/test_o2b2o.py -> build/bdist.linux-i686/wheel/./ase/test/db +copying build/lib/ase/test/db/test_update.py -> build/bdist.linux-i686/wheel/./ase/test/db +creating build/bdist.linux-i686/wheel/ase/test/geometry +copying build/lib/ase/test/geometry/test_analysis.py -> build/bdist.linux-i686/wheel/./ase/test/geometry +copying build/lib/ase/test/geometry/test_geometry.py -> build/bdist.linux-i686/wheel/./ase/test/geometry +copying build/lib/ase/test/geometry/test_distance.py -> build/bdist.linux-i686/wheel/./ase/test/geometry +copying build/lib/ase/test/geometry/test_geometry_rdf.py -> build/bdist.linux-i686/wheel/./ase/test/geometry +copying build/lib/ase/test/geometry/test_geometry_derivatives.py -> build/bdist.linux-i686/wheel/./ase/test/geometry +copying build/lib/ase/test/geometry/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/geometry +copying build/lib/ase/test/geometry/test_dimensionality.py -> build/bdist.linux-i686/wheel/./ase/test/geometry +copying build/lib/ase/test/test_root_surf.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_gromacs.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_issue276.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_phasediagram.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_things.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_zmatrix.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_springcalc.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_distmom.py -> build/bdist.linux-i686/wheel/./ase/test +creating build/bdist.linux-i686/wheel/ase/test/cell +copying build/lib/ase/test/cell/test_cell.py -> build/bdist.linux-i686/wheel/./ase/test/cell +copying build/lib/ase/test/cell/test_cell_completion.py -> build/bdist.linux-i686/wheel/./ase/test/cell +copying build/lib/ase/test/cell/test_niggli_op.py -> build/bdist.linux-i686/wheel/./ase/test/cell +copying build/lib/ase/test/cell/test_niggli_ndim.py -> build/bdist.linux-i686/wheel/./ase/test/cell +copying build/lib/ase/test/cell/test_cell_conv.py -> build/bdist.linux-i686/wheel/./ase/test/cell +copying build/lib/ase/test/cell/test_cell_uncompletion.py -> build/bdist.linux-i686/wheel/./ase/test/cell +copying build/lib/ase/test/cell/test_niggli.py -> build/bdist.linux-i686/wheel/./ase/test/cell +copying build/lib/ase/test/cell/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/cell +copying build/lib/ase/test/cell/test_supercell.py -> build/bdist.linux-i686/wheel/./ase/test/cell +copying build/lib/ase/test/cell/test_conventional_map.py -> build/bdist.linux-i686/wheel/./ase/test/cell +copying build/lib/ase/test/cell/test_standard_form.py -> build/bdist.linux-i686/wheel/./ase/test/cell +copying build/lib/ase/test/cell/test_minkowski_reduce.py -> build/bdist.linux-i686/wheel/./ase/test/cell +copying build/lib/ase/test/test_checkpoint.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_basin.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_kpts.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_loggingcalc.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_cutoffs.py -> build/bdist.linux-i686/wheel/./ase/test copying build/lib/ase/test/test_dimer.py -> build/bdist.linux-i686/wheel/./ase/test -creating build/bdist.linux-i686/wheel/ase/test/vibrations -copying build/lib/ase/test/vibrations/test_albrecht.py -> build/bdist.linux-i686/wheel/./ase/test/vibrations -copying build/lib/ase/test/vibrations/test_placzek.py -> build/bdist.linux-i686/wheel/./ase/test/vibrations -copying build/lib/ase/test/vibrations/test_pickle2json.py -> build/bdist.linux-i686/wheel/./ase/test/vibrations -copying build/lib/ase/test/vibrations/test_combine.py -> build/bdist.linux-i686/wheel/./ase/test/vibrations -copying build/lib/ase/test/vibrations/test_profeta_albrecht.py -> build/bdist.linux-i686/wheel/./ase/test/vibrations -copying build/lib/ase/test/vibrations/test_folding.py -> build/bdist.linux-i686/wheel/./ase/test/vibrations -copying build/lib/ase/test/vibrations/test_vib.py -> build/bdist.linux-i686/wheel/./ase/test/vibrations -copying build/lib/ase/test/vibrations/test_vibrations_example.py -> build/bdist.linux-i686/wheel/./ase/test/vibrations -copying build/lib/ase/test/vibrations/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/vibrations -copying build/lib/ase/test/vibrations/test_franck_condon.py -> build/bdist.linux-i686/wheel/./ase/test/vibrations -copying build/lib/ase/test/vibrations/test_bond_polarizability_raman.py -> build/bdist.linux-i686/wheel/./ase/test/vibrations -copying build/lib/ase/neighborlist.py -> build/bdist.linux-i686/wheel/./ase -creating build/bdist.linux-i686/wheel/ase/spacegroup -copying build/lib/ase/spacegroup/xtal.py -> build/bdist.linux-i686/wheel/./ase/spacegroup -copying build/lib/ase/spacegroup/spacegroup.dat -> build/bdist.linux-i686/wheel/./ase/spacegroup -copying build/lib/ase/spacegroup/symmetrize.py -> build/bdist.linux-i686/wheel/./ase/spacegroup -copying build/lib/ase/spacegroup/__init__.py -> build/bdist.linux-i686/wheel/./ase/spacegroup -copying build/lib/ase/spacegroup/utils.py -> build/bdist.linux-i686/wheel/./ase/spacegroup -copying build/lib/ase/spacegroup/spacegroup.py -> build/bdist.linux-i686/wheel/./ase/spacegroup -copying build/lib/ase/spacegroup/crystal_data.py -> build/bdist.linux-i686/wheel/./ase/spacegroup -copying build/lib/ase/nomad.py -> build/bdist.linux-i686/wheel/./ase -copying build/lib/ase/stress.py -> build/bdist.linux-i686/wheel/./ase +copying build/lib/ase/test/test_singlepoint_dft_calc.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_mpi.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_symbols.py -> build/bdist.linux-i686/wheel/./ase/test +creating build/bdist.linux-i686/wheel/ase/test/ga +copying build/lib/ase/test/ga/test_particle_operators.py -> build/bdist.linux-i686/wheel/./ase/test/ga +copying build/lib/ase/test/ga/test_particle_comparators.py -> build/bdist.linux-i686/wheel/./ase/test/ga +copying build/lib/ase/test/ga/test_mutations.py -> build/bdist.linux-i686/wheel/./ase/test/ga +copying build/lib/ase/test/ga/test_bulk_operators.py -> build/bdist.linux-i686/wheel/./ase/test/ga +copying build/lib/ase/test/ga/test_standardcomparator.py -> build/bdist.linux-i686/wheel/./ase/test/ga +copying build/lib/ase/test/ga/test_film_operators.py -> build/bdist.linux-i686/wheel/./ase/test/ga +copying build/lib/ase/test/ga/test_add_candidates.py -> build/bdist.linux-i686/wheel/./ase/test/ga +copying build/lib/ase/test/ga/test_particle_mutations.py -> build/bdist.linux-i686/wheel/./ase/test/ga +copying build/lib/ase/test/ga/test_element_operators.py -> build/bdist.linux-i686/wheel/./ase/test/ga +copying build/lib/ase/test/ga/test_database_logic.py -> build/bdist.linux-i686/wheel/./ase/test/ga +copying build/lib/ase/test/ga/test_create_database.py -> build/bdist.linux-i686/wheel/./ase/test/ga +copying build/lib/ase/test/ga/test_cutandsplicepairing.py -> build/bdist.linux-i686/wheel/./ase/test/ga +copying build/lib/ase/test/ga/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/ga +copying build/lib/ase/test/ga/test_basic_example_main_run.py -> build/bdist.linux-i686/wheel/./ase/test/ga +copying build/lib/ase/test/ga/test_chain_operators.py -> build/bdist.linux-i686/wheel/./ase/test/ga +copying build/lib/ase/test/ga/test_slab_operators.py -> build/bdist.linux-i686/wheel/./ase/test/ga +copying build/lib/ase/test/test_timing.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_external_viewer.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/__init__.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/factories.py -> build/bdist.linux-i686/wheel/./ase/test +creating build/bdist.linux-i686/wheel/ase/test/dft +copying build/lib/ase/test/dft/test_kpt_density_monkhorst_pack.py -> build/bdist.linux-i686/wheel/./ase/test/dft +copying build/lib/ase/test/dft/test_hex.py -> build/bdist.linux-i686/wheel/./ase/test/dft +copying build/lib/ase/test/dft/test_dos.py -> build/bdist.linux-i686/wheel/./ase/test/dft +copying build/lib/ase/test/dft/test_monoclinic.py -> build/bdist.linux-i686/wheel/./ase/test/dft +copying build/lib/ase/test/dft/test_bee.py -> build/bdist.linux-i686/wheel/./ase/test/dft +copying build/lib/ase/test/dft/test_interpolate.py -> build/bdist.linux-i686/wheel/./ase/test/dft +copying build/lib/ase/test/dft/test_bz.py -> build/bdist.linux-i686/wheel/./ase/test/dft +copying build/lib/ase/test/dft/test_kpts_size_offsets.py -> build/bdist.linux-i686/wheel/./ase/test/dft +copying build/lib/ase/test/dft/test_min_distance_monkhorst_pack.py -> build/bdist.linux-i686/wheel/./ase/test/dft +copying build/lib/ase/test/dft/test_bandgap.py -> build/bdist.linux-i686/wheel/./ase/test/dft +copying build/lib/ase/test/dft/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/dft +copying build/lib/ase/test/test_units.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_bandpath_kpts_axis.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_dependency_list.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/utils.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_pubchem.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_s22.py -> build/bdist.linux-i686/wheel/./ase/test +copying build/lib/ase/test/test_calc_properties.py -> build/bdist.linux-i686/wheel/./ase/test +creating build/bdist.linux-i686/wheel/ase/test/build_ +copying build/lib/ase/test/build_/test_bulk.py -> build/bdist.linux-i686/wheel/./ase/test/build_ +copying build/lib/ase/test/build_/test_build_bulk.py -> build/bdist.linux-i686/wheel/./ase/test/build_ +copying build/lib/ase/test/build_/test_connected.py -> build/bdist.linux-i686/wheel/./ase/test/build_ +copying build/lib/ase/test/build_/test_surface.py -> build/bdist.linux-i686/wheel/./ase/test/build_ +copying build/lib/ase/test/build_/test_supercells.py -> build/bdist.linux-i686/wheel/./ase/test/build_ +copying build/lib/ase/test/build_/test_surface_terminations.py -> build/bdist.linux-i686/wheel/./ase/test/build_ +copying build/lib/ase/test/build_/test_minimize_rotation_and_translation.py -> build/bdist.linux-i686/wheel/./ase/test/build_ +copying build/lib/ase/test/build_/test_surface_stack.py -> build/bdist.linux-i686/wheel/./ase/test/build_ +copying build/lib/ase/test/build_/test_attach.py -> build/bdist.linux-i686/wheel/./ase/test/build_ +copying build/lib/ase/test/build_/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/build_ +creating build/bdist.linux-i686/wheel/ase/test/bravais +copying build/lib/ase/test/bravais/test_main.py -> build/bdist.linux-i686/wheel/./ase/test/bravais +copying build/lib/ase/test/bravais/test_hex.py -> build/bdist.linux-i686/wheel/./ase/test/bravais +copying build/lib/ase/test/bravais/test_bravais_type_engine.py -> build/bdist.linux-i686/wheel/./ase/test/bravais +copying build/lib/ase/test/bravais/test_2d_cell_pbc.py -> build/bdist.linux-i686/wheel/./ase/test/bravais +copying build/lib/ase/test/bravais/test_line_lattice.py -> build/bdist.linux-i686/wheel/./ase/test/bravais +copying build/lib/ase/test/bravais/test_orcc_mcl.py -> build/bdist.linux-i686/wheel/./ase/test/bravais +copying build/lib/ase/test/bravais/test_eps.py -> build/bdist.linux-i686/wheel/./ase/test/bravais +copying build/lib/ase/test/bravais/test_reduce.py -> build/bdist.linux-i686/wheel/./ase/test/bravais +copying build/lib/ase/test/bravais/test_lattices.py -> build/bdist.linux-i686/wheel/./ase/test/bravais +copying build/lib/ase/test/bravais/__init__.py -> build/bdist.linux-i686/wheel/./ase/test/bravais +copying build/lib/ase/test/bravais/test_standard_form.py -> build/bdist.linux-i686/wheel/./ase/test/bravais +copying build/lib/ase/test/test_calculator_label.py -> build/bdist.linux-i686/wheel/./ase/test +creating build/bdist.linux-i686/wheel/ase/transport +copying build/lib/ase/transport/calculators.py -> build/bdist.linux-i686/wheel/./ase/transport +copying build/lib/ase/transport/greenfunction.py -> build/bdist.linux-i686/wheel/./ase/transport +copying build/lib/ase/transport/selfenergy.py -> build/bdist.linux-i686/wheel/./ase/transport +copying build/lib/ase/transport/stm.py -> build/bdist.linux-i686/wheel/./ase/transport +copying build/lib/ase/transport/__init__.py -> build/bdist.linux-i686/wheel/./ase/transport +copying build/lib/ase/transport/tools.py -> build/bdist.linux-i686/wheel/./ase/transport copying build/lib/ase/py.typed -> build/bdist.linux-i686/wheel/./ase +copying build/lib/ase/outputs.py -> build/bdist.linux-i686/wheel/./ase +creating build/bdist.linux-i686/wheel/ase/md +copying build/lib/ase/md/md.py -> build/bdist.linux-i686/wheel/./ase/md +copying build/lib/ase/md/fix.py -> build/bdist.linux-i686/wheel/./ase/md +copying build/lib/ase/md/nose_hoover_chain.py -> build/bdist.linux-i686/wheel/./ase/md +copying build/lib/ase/md/npt.py -> build/bdist.linux-i686/wheel/./ase/md +copying build/lib/ase/md/velocitydistribution.py -> build/bdist.linux-i686/wheel/./ase/md +copying build/lib/ase/md/contour_exploration.py -> build/bdist.linux-i686/wheel/./ase/md +copying build/lib/ase/md/analysis.py -> build/bdist.linux-i686/wheel/./ase/md +copying build/lib/ase/md/verlet.py -> build/bdist.linux-i686/wheel/./ase/md +copying build/lib/ase/md/nptberendsen.py -> build/bdist.linux-i686/wheel/./ase/md +copying build/lib/ase/md/andersen.py -> build/bdist.linux-i686/wheel/./ase/md +copying build/lib/ase/md/switch_langevin.py -> build/bdist.linux-i686/wheel/./ase/md +copying build/lib/ase/md/nvtberendsen.py -> build/bdist.linux-i686/wheel/./ase/md +copying build/lib/ase/md/logger.py -> build/bdist.linux-i686/wheel/./ase/md +copying build/lib/ase/md/__init__.py -> build/bdist.linux-i686/wheel/./ase/md +copying build/lib/ase/md/bussi.py -> build/bdist.linux-i686/wheel/./ase/md +copying build/lib/ase/md/langevin.py -> build/bdist.linux-i686/wheel/./ase/md +creating build/bdist.linux-i686/wheel/ase/optimize +copying build/lib/ase/optimize/climbfixinternals.py -> build/bdist.linux-i686/wheel/./ase/optimize +creating build/bdist.linux-i686/wheel/ase/optimize/test +copying build/lib/ase/optimize/test/generate_rst.py -> build/bdist.linux-i686/wheel/./ase/optimize/test +copying build/lib/ase/optimize/test/test.py -> build/bdist.linux-i686/wheel/./ase/optimize/test +copying build/lib/ase/optimize/test/systems.py -> build/bdist.linux-i686/wheel/./ase/optimize/test +copying build/lib/ase/optimize/test/__init__.py -> build/bdist.linux-i686/wheel/./ase/optimize/test +copying build/lib/ase/optimize/test/neb.py -> build/bdist.linux-i686/wheel/./ase/optimize/test +copying build/lib/ase/optimize/test/analyze.py -> build/bdist.linux-i686/wheel/./ase/optimize/test +copying build/lib/ase/optimize/basin.py -> build/bdist.linux-i686/wheel/./ase/optimize +copying build/lib/ase/optimize/fire2.py -> build/bdist.linux-i686/wheel/./ase/optimize +copying build/lib/ase/optimize/lbfgs.py -> build/bdist.linux-i686/wheel/./ase/optimize +copying build/lib/ase/optimize/bfgslinesearch.py -> build/bdist.linux-i686/wheel/./ase/optimize +copying build/lib/ase/optimize/ode.py -> build/bdist.linux-i686/wheel/./ase/optimize +copying build/lib/ase/optimize/fire.py -> build/bdist.linux-i686/wheel/./ase/optimize +creating build/bdist.linux-i686/wheel/ase/optimize/precon +copying build/lib/ase/optimize/precon/lbfgs.py -> build/bdist.linux-i686/wheel/./ase/optimize/precon +copying build/lib/ase/optimize/precon/neighbors.py -> build/bdist.linux-i686/wheel/./ase/optimize/precon +copying build/lib/ase/optimize/precon/fire.py -> build/bdist.linux-i686/wheel/./ase/optimize/precon +copying build/lib/ase/optimize/precon/precon.py -> build/bdist.linux-i686/wheel/./ase/optimize/precon +copying build/lib/ase/optimize/precon/__init__.py -> build/bdist.linux-i686/wheel/./ase/optimize/precon +copying build/lib/ase/optimize/sciopt.py -> build/bdist.linux-i686/wheel/./ase/optimize +copying build/lib/ase/optimize/mdmin.py -> build/bdist.linux-i686/wheel/./ase/optimize +copying build/lib/ase/optimize/oldqn.py -> build/bdist.linux-i686/wheel/./ase/optimize +copying build/lib/ase/optimize/optimize.py -> build/bdist.linux-i686/wheel/./ase/optimize +creating build/bdist.linux-i686/wheel/ase/optimize/gpmin +copying build/lib/ase/optimize/gpmin/gp.py -> build/bdist.linux-i686/wheel/./ase/optimize/gpmin +copying build/lib/ase/optimize/gpmin/prior.py -> build/bdist.linux-i686/wheel/./ase/optimize/gpmin +copying build/lib/ase/optimize/gpmin/gpmin.py -> build/bdist.linux-i686/wheel/./ase/optimize/gpmin +copying build/lib/ase/optimize/gpmin/kernel.py -> build/bdist.linux-i686/wheel/./ase/optimize/gpmin +copying build/lib/ase/optimize/gpmin/__init__.py -> build/bdist.linux-i686/wheel/./ase/optimize/gpmin +copying build/lib/ase/optimize/__init__.py -> build/bdist.linux-i686/wheel/./ase/optimize +copying build/lib/ase/optimize/bfgs.py -> build/bdist.linux-i686/wheel/./ase/optimize +copying build/lib/ase/optimize/minimahopping.py -> build/bdist.linux-i686/wheel/./ase/optimize +copying build/lib/ase/optimize/cellawarebfgs.py -> build/bdist.linux-i686/wheel/./ase/optimize +creating build/bdist.linux-i686/wheel/ase/data +copying build/lib/ase/data/s22.py -> build/bdist.linux-i686/wheel/./ase/data +copying build/lib/ase/data/extra_molecules.py -> build/bdist.linux-i686/wheel/./ase/data +copying build/lib/ase/data/g2.py -> build/bdist.linux-i686/wheel/./ase/data +copying build/lib/ase/data/g2_1.py -> build/bdist.linux-i686/wheel/./ase/data +copying build/lib/ase/data/colors.py -> build/bdist.linux-i686/wheel/./ase/data +copying build/lib/ase/data/pubchem.py -> build/bdist.linux-i686/wheel/./ase/data +copying build/lib/ase/data/vdw.py -> build/bdist.linux-i686/wheel/./ase/data +copying build/lib/ase/data/isotopes.py -> build/bdist.linux-i686/wheel/./ase/data +copying build/lib/ase/data/vdw_alvarez.py -> build/bdist.linux-i686/wheel/./ase/data +copying build/lib/ase/data/cohesive_energies.py -> build/bdist.linux-i686/wheel/./ase/data +copying build/lib/ase/data/__init__.py -> build/bdist.linux-i686/wheel/./ase/data +copying build/lib/ase/data/dbh24.py -> build/bdist.linux-i686/wheel/./ase/data +copying build/lib/ase/data/g2_2.py -> build/bdist.linux-i686/wheel/./ase/data +copying build/lib/ase/data/cccbdb_ip.py -> build/bdist.linux-i686/wheel/./ase/data +copying build/lib/ase/phasediagram.py -> build/bdist.linux-i686/wheel/./ase copying build/lib/ase/atom.py -> build/bdist.linux-i686/wheel/./ase -copying build/lib/ase/thermochemistry.py -> build/bdist.linux-i686/wheel/./ase +creating build/bdist.linux-i686/wheel/ase/vibrations +copying build/lib/ase/vibrations/data.py -> build/bdist.linux-i686/wheel/./ase/vibrations +copying build/lib/ase/vibrations/pickle2json.py -> build/bdist.linux-i686/wheel/./ase/vibrations +copying build/lib/ase/vibrations/resonant_raman.py -> build/bdist.linux-i686/wheel/./ase/vibrations +copying build/lib/ase/vibrations/vibrations.py -> build/bdist.linux-i686/wheel/./ase/vibrations +copying build/lib/ase/vibrations/infrared.py -> build/bdist.linux-i686/wheel/./ase/vibrations +copying build/lib/ase/vibrations/franck_condon.py -> build/bdist.linux-i686/wheel/./ase/vibrations +copying build/lib/ase/vibrations/placzek.py -> build/bdist.linux-i686/wheel/./ase/vibrations +copying build/lib/ase/vibrations/__init__.py -> build/bdist.linux-i686/wheel/./ase/vibrations +copying build/lib/ase/vibrations/raman.py -> build/bdist.linux-i686/wheel/./ase/vibrations +copying build/lib/ase/vibrations/albrecht.py -> build/bdist.linux-i686/wheel/./ase/vibrations +creating build/bdist.linux-i686/wheel/ase/utils +copying build/lib/ase/utils/forcecurve.py -> build/bdist.linux-i686/wheel/./ase/utils +copying build/lib/ase/utils/ptable.py -> build/bdist.linux-i686/wheel/./ase/utils +copying build/lib/ase/utils/sphinx.py -> build/bdist.linux-i686/wheel/./ase/utils +copying build/lib/ase/utils/linesearcharmijo.py -> build/bdist.linux-i686/wheel/./ase/utils +copying build/lib/ase/utils/ff.py -> build/bdist.linux-i686/wheel/./ase/utils +copying build/lib/ase/utils/timing.py -> build/bdist.linux-i686/wheel/./ase/utils +copying build/lib/ase/utils/linesearch.py -> build/bdist.linux-i686/wheel/./ase/utils +copying build/lib/ase/utils/xrdebye.py -> build/bdist.linux-i686/wheel/./ase/utils +copying build/lib/ase/utils/deltacodesdft.py -> build/bdist.linux-i686/wheel/./ase/utils +copying build/lib/ase/utils/cext.py -> build/bdist.linux-i686/wheel/./ase/utils +copying build/lib/ase/utils/checkimports.py -> build/bdist.linux-i686/wheel/./ase/utils +copying build/lib/ase/utils/structure_comparator.py -> build/bdist.linux-i686/wheel/./ase/utils +copying build/lib/ase/utils/filecache.py -> build/bdist.linux-i686/wheel/./ase/utils +copying build/lib/ase/utils/cube.py -> build/bdist.linux-i686/wheel/./ase/utils +copying build/lib/ase/utils/newrelease.py -> build/bdist.linux-i686/wheel/./ase/utils +copying build/lib/ase/utils/arraywrapper.py -> build/bdist.linux-i686/wheel/./ase/utils +copying build/lib/ase/utils/abc.py -> build/bdist.linux-i686/wheel/./ase/utils +copying build/lib/ase/utils/parsemath.py -> build/bdist.linux-i686/wheel/./ase/utils +copying build/lib/ase/utils/plotting.py -> build/bdist.linux-i686/wheel/./ase/utils +copying build/lib/ase/utils/__init__.py -> build/bdist.linux-i686/wheel/./ase/utils +copying build/lib/ase/utils/plugins.py -> build/bdist.linux-i686/wheel/./ase/utils +copying build/lib/ase/utils/build_web_page.py -> build/bdist.linux-i686/wheel/./ase/utils +copying build/lib/ase/units.py -> build/bdist.linux-i686/wheel/./ase creating build/bdist.linux-i686/wheel/ase/gui -copying build/lib/ase/gui/clipboard.py -> build/bdist.linux-i686/wheel/./ase/gui copying build/lib/ase/gui/defaults.py -> build/bdist.linux-i686/wheel/./ase/gui -copying build/lib/ase/gui/gui.py -> build/bdist.linux-i686/wheel/./ase/gui -copying build/lib/ase/gui/save.py -> build/bdist.linux-i686/wheel/./ase/gui -copying build/lib/ase/gui/celleditor.py -> build/bdist.linux-i686/wheel/./ase/gui -copying build/lib/ase/gui/movie.py -> build/bdist.linux-i686/wheel/./ase/gui -copying build/lib/ase/gui/add.py -> build/bdist.linux-i686/wheel/./ase/gui -copying build/lib/ase/gui/rotate.py -> build/bdist.linux-i686/wheel/./ase/gui +copying build/lib/ase/gui/view.py -> build/bdist.linux-i686/wheel/./ase/gui copying build/lib/ase/gui/ui.py -> build/bdist.linux-i686/wheel/./ase/gui -copying build/lib/ase/gui/pipe.py -> build/bdist.linux-i686/wheel/./ase/gui copying build/lib/ase/gui/repeat.py -> build/bdist.linux-i686/wheel/./ase/gui +copying build/lib/ase/gui/nanoparticle.py -> build/bdist.linux-i686/wheel/./ase/gui +copying build/lib/ase/gui/render.py -> build/bdist.linux-i686/wheel/./ase/gui +copying build/lib/ase/gui/clipboard.py -> build/bdist.linux-i686/wheel/./ase/gui +copying build/lib/ase/gui/pipe.py -> build/bdist.linux-i686/wheel/./ase/gui +copying build/lib/ase/gui/status.py -> build/bdist.linux-i686/wheel/./ase/gui +copying build/lib/ase/gui/i18n.py -> build/bdist.linux-i686/wheel/./ase/gui copying build/lib/ase/gui/colors.py -> build/bdist.linux-i686/wheel/./ase/gui -copying build/lib/ase/gui/__init__.py -> build/bdist.linux-i686/wheel/./ase/gui copying build/lib/ase/gui/constraints.py -> build/bdist.linux-i686/wheel/./ase/gui -copying build/lib/ase/gui/graphs.py -> build/bdist.linux-i686/wheel/./ase/gui -copying build/lib/ase/gui/view.py -> build/bdist.linux-i686/wheel/./ase/gui -copying build/lib/ase/gui/nanotube.py -> build/bdist.linux-i686/wheel/./ase/gui -copying build/lib/ase/gui/quickinfo.py -> build/bdist.linux-i686/wheel/./ase/gui -copying build/lib/ase/gui/utils.py -> build/bdist.linux-i686/wheel/./ase/gui -copying build/lib/ase/gui/images.py -> build/bdist.linux-i686/wheel/./ase/gui -copying build/lib/ase/gui/status.py -> build/bdist.linux-i686/wheel/./ase/gui copying build/lib/ase/gui/widgets.py -> build/bdist.linux-i686/wheel/./ase/gui -copying build/lib/ase/gui/surfaceslab.py -> build/bdist.linux-i686/wheel/./ase/gui +copying build/lib/ase/gui/rotate.py -> build/bdist.linux-i686/wheel/./ase/gui copying build/lib/ase/gui/ag.py -> build/bdist.linux-i686/wheel/./ase/gui -copying build/lib/ase/gui/i18n.py -> build/bdist.linux-i686/wheel/./ase/gui -copying build/lib/ase/gui/modify.py -> build/bdist.linux-i686/wheel/./ase/gui -copying build/lib/ase/gui/render.py -> build/bdist.linux-i686/wheel/./ase/gui copying build/lib/ase/gui/settings.py -> build/bdist.linux-i686/wheel/./ase/gui -copying build/lib/ase/gui/nanoparticle.py -> build/bdist.linux-i686/wheel/./ase/gui +copying build/lib/ase/gui/modify.py -> build/bdist.linux-i686/wheel/./ase/gui creating build/bdist.linux-i686/wheel/ase/gui/po +creating build/bdist.linux-i686/wheel/ase/gui/po/zh_CN +creating build/bdist.linux-i686/wheel/ase/gui/po/zh_CN/LC_MESSAGES +copying build/lib/ase/gui/po/zh_CN/LC_MESSAGES/ag.po -> build/bdist.linux-i686/wheel/./ase/gui/po/zh_CN/LC_MESSAGES +copying build/lib/ase/gui/po/zh_CN/LC_MESSAGES/ag.mo -> build/bdist.linux-i686/wheel/./ase/gui/po/zh_CN/LC_MESSAGES +creating build/bdist.linux-i686/wheel/ase/gui/po/eu +creating build/bdist.linux-i686/wheel/ase/gui/po/eu/LC_MESSAGES +copying build/lib/ase/gui/po/eu/LC_MESSAGES/ag.po -> build/bdist.linux-i686/wheel/./ase/gui/po/eu/LC_MESSAGES +copying build/lib/ase/gui/po/eu/LC_MESSAGES/ag.mo -> build/bdist.linux-i686/wheel/./ase/gui/po/eu/LC_MESSAGES +creating build/bdist.linux-i686/wheel/ase/gui/po/de +creating build/bdist.linux-i686/wheel/ase/gui/po/de/LC_MESSAGES +copying build/lib/ase/gui/po/de/LC_MESSAGES/ag.po -> build/bdist.linux-i686/wheel/./ase/gui/po/de/LC_MESSAGES +copying build/lib/ase/gui/po/de/LC_MESSAGES/ag.mo -> build/bdist.linux-i686/wheel/./ase/gui/po/de/LC_MESSAGES +creating build/bdist.linux-i686/wheel/ase/gui/po/en_GB +creating build/bdist.linux-i686/wheel/ase/gui/po/en_GB/LC_MESSAGES +copying build/lib/ase/gui/po/en_GB/LC_MESSAGES/ag.po -> build/bdist.linux-i686/wheel/./ase/gui/po/en_GB/LC_MESSAGES +copying build/lib/ase/gui/po/en_GB/LC_MESSAGES/ag.mo -> build/bdist.linux-i686/wheel/./ase/gui/po/en_GB/LC_MESSAGES creating build/bdist.linux-i686/wheel/ase/gui/po/gl creating build/bdist.linux-i686/wheel/ase/gui/po/gl/LC_MESSAGES copying build/lib/ase/gui/po/gl/LC_MESSAGES/ag.po -> build/bdist.linux-i686/wheel/./ase/gui/po/gl/LC_MESSAGES copying build/lib/ase/gui/po/gl/LC_MESSAGES/ag.mo -> build/bdist.linux-i686/wheel/./ase/gui/po/gl/LC_MESSAGES +creating build/bdist.linux-i686/wheel/ase/gui/po/fr +creating build/bdist.linux-i686/wheel/ase/gui/po/fr/LC_MESSAGES +copying build/lib/ase/gui/po/fr/LC_MESSAGES/ag.po -> build/bdist.linux-i686/wheel/./ase/gui/po/fr/LC_MESSAGES +copying build/lib/ase/gui/po/fr/LC_MESSAGES/ag.mo -> build/bdist.linux-i686/wheel/./ase/gui/po/fr/LC_MESSAGES +creating build/bdist.linux-i686/wheel/ase/gui/po/sv +creating build/bdist.linux-i686/wheel/ase/gui/po/sv/LC_MESSAGES +copying build/lib/ase/gui/po/sv/LC_MESSAGES/ag.po -> build/bdist.linux-i686/wheel/./ase/gui/po/sv/LC_MESSAGES +copying build/lib/ase/gui/po/sv/LC_MESSAGES/ag.mo -> build/bdist.linux-i686/wheel/./ase/gui/po/sv/LC_MESSAGES +copying build/lib/ase/gui/po/Makefile -> build/bdist.linux-i686/wheel/./ase/gui/po creating build/bdist.linux-i686/wheel/ase/gui/po/es creating build/bdist.linux-i686/wheel/ase/gui/po/es/LC_MESSAGES copying build/lib/ase/gui/po/es/LC_MESSAGES/ag.po -> build/bdist.linux-i686/wheel/./ase/gui/po/es/LC_MESSAGES @@ -4130,405 +4162,409 @@ creating build/bdist.linux-i686/wheel/ase/gui/po/fi/LC_MESSAGES copying build/lib/ase/gui/po/fi/LC_MESSAGES/ag.po -> build/bdist.linux-i686/wheel/./ase/gui/po/fi/LC_MESSAGES copying build/lib/ase/gui/po/fi/LC_MESSAGES/ag.mo -> build/bdist.linux-i686/wheel/./ase/gui/po/fi/LC_MESSAGES -creating build/bdist.linux-i686/wheel/ase/gui/po/en_GB -creating build/bdist.linux-i686/wheel/ase/gui/po/en_GB/LC_MESSAGES -copying build/lib/ase/gui/po/en_GB/LC_MESSAGES/ag.po -> build/bdist.linux-i686/wheel/./ase/gui/po/en_GB/LC_MESSAGES -copying build/lib/ase/gui/po/en_GB/LC_MESSAGES/ag.mo -> build/bdist.linux-i686/wheel/./ase/gui/po/en_GB/LC_MESSAGES -creating build/bdist.linux-i686/wheel/ase/gui/po/zh_CN -creating build/bdist.linux-i686/wheel/ase/gui/po/zh_CN/LC_MESSAGES -copying build/lib/ase/gui/po/zh_CN/LC_MESSAGES/ag.po -> build/bdist.linux-i686/wheel/./ase/gui/po/zh_CN/LC_MESSAGES -copying build/lib/ase/gui/po/zh_CN/LC_MESSAGES/ag.mo -> build/bdist.linux-i686/wheel/./ase/gui/po/zh_CN/LC_MESSAGES -creating build/bdist.linux-i686/wheel/ase/gui/po/fr -creating build/bdist.linux-i686/wheel/ase/gui/po/fr/LC_MESSAGES -copying build/lib/ase/gui/po/fr/LC_MESSAGES/ag.po -> build/bdist.linux-i686/wheel/./ase/gui/po/fr/LC_MESSAGES -copying build/lib/ase/gui/po/fr/LC_MESSAGES/ag.mo -> build/bdist.linux-i686/wheel/./ase/gui/po/fr/LC_MESSAGES -copying build/lib/ase/gui/po/Makefile -> build/bdist.linux-i686/wheel/./ase/gui/po -creating build/bdist.linux-i686/wheel/ase/gui/po/eu -creating build/bdist.linux-i686/wheel/ase/gui/po/eu/LC_MESSAGES -copying build/lib/ase/gui/po/eu/LC_MESSAGES/ag.po -> build/bdist.linux-i686/wheel/./ase/gui/po/eu/LC_MESSAGES -copying build/lib/ase/gui/po/eu/LC_MESSAGES/ag.mo -> build/bdist.linux-i686/wheel/./ase/gui/po/eu/LC_MESSAGES -creating build/bdist.linux-i686/wheel/ase/gui/po/sv -creating build/bdist.linux-i686/wheel/ase/gui/po/sv/LC_MESSAGES -copying build/lib/ase/gui/po/sv/LC_MESSAGES/ag.po -> build/bdist.linux-i686/wheel/./ase/gui/po/sv/LC_MESSAGES -copying build/lib/ase/gui/po/sv/LC_MESSAGES/ag.mo -> build/bdist.linux-i686/wheel/./ase/gui/po/sv/LC_MESSAGES creating build/bdist.linux-i686/wheel/ase/gui/po/ru creating build/bdist.linux-i686/wheel/ase/gui/po/ru/LC_MESSAGES copying build/lib/ase/gui/po/ru/LC_MESSAGES/ag.po -> build/bdist.linux-i686/wheel/./ase/gui/po/ru/LC_MESSAGES copying build/lib/ase/gui/po/ru/LC_MESSAGES/ag.mo -> build/bdist.linux-i686/wheel/./ase/gui/po/ru/LC_MESSAGES -creating build/bdist.linux-i686/wheel/ase/gui/po/de -creating build/bdist.linux-i686/wheel/ase/gui/po/de/LC_MESSAGES -copying build/lib/ase/gui/po/de/LC_MESSAGES/ag.po -> build/bdist.linux-i686/wheel/./ase/gui/po/de/LC_MESSAGES -copying build/lib/ase/gui/po/de/LC_MESSAGES/ag.mo -> build/bdist.linux-i686/wheel/./ase/gui/po/de/LC_MESSAGES -copying build/lib/ase/formula.py -> build/bdist.linux-i686/wheel/./ase -creating build/bdist.linux-i686/wheel/ase/optimize -copying build/lib/ase/optimize/sciopt.py -> build/bdist.linux-i686/wheel/./ase/optimize -copying build/lib/ase/optimize/ode.py -> build/bdist.linux-i686/wheel/./ase/optimize -copying build/lib/ase/optimize/climbfixinternals.py -> build/bdist.linux-i686/wheel/./ase/optimize -copying build/lib/ase/optimize/fire2.py -> build/bdist.linux-i686/wheel/./ase/optimize -copying build/lib/ase/optimize/lbfgs.py -> build/bdist.linux-i686/wheel/./ase/optimize -copying build/lib/ase/optimize/mdmin.py -> build/bdist.linux-i686/wheel/./ase/optimize -creating build/bdist.linux-i686/wheel/ase/optimize/test -copying build/lib/ase/optimize/test/generate_rst.py -> build/bdist.linux-i686/wheel/./ase/optimize/test -copying build/lib/ase/optimize/test/test.py -> build/bdist.linux-i686/wheel/./ase/optimize/test -copying build/lib/ase/optimize/test/analyze.py -> build/bdist.linux-i686/wheel/./ase/optimize/test -copying build/lib/ase/optimize/test/__init__.py -> build/bdist.linux-i686/wheel/./ase/optimize/test -copying build/lib/ase/optimize/test/systems.py -> build/bdist.linux-i686/wheel/./ase/optimize/test -copying build/lib/ase/optimize/test/neb.py -> build/bdist.linux-i686/wheel/./ase/optimize/test -copying build/lib/ase/optimize/minimahopping.py -> build/bdist.linux-i686/wheel/./ase/optimize -copying build/lib/ase/optimize/bfgslinesearch.py -> build/bdist.linux-i686/wheel/./ase/optimize -copying build/lib/ase/optimize/__init__.py -> build/bdist.linux-i686/wheel/./ase/optimize -copying build/lib/ase/optimize/oldqn.py -> build/bdist.linux-i686/wheel/./ase/optimize -copying build/lib/ase/optimize/basin.py -> build/bdist.linux-i686/wheel/./ase/optimize -creating build/bdist.linux-i686/wheel/ase/optimize/gpmin -copying build/lib/ase/optimize/gpmin/prior.py -> build/bdist.linux-i686/wheel/./ase/optimize/gpmin -copying build/lib/ase/optimize/gpmin/gpmin.py -> build/bdist.linux-i686/wheel/./ase/optimize/gpmin -copying build/lib/ase/optimize/gpmin/gp.py -> build/bdist.linux-i686/wheel/./ase/optimize/gpmin -copying build/lib/ase/optimize/gpmin/kernel.py -> build/bdist.linux-i686/wheel/./ase/optimize/gpmin -copying build/lib/ase/optimize/gpmin/__init__.py -> build/bdist.linux-i686/wheel/./ase/optimize/gpmin -creating build/bdist.linux-i686/wheel/ase/optimize/precon -copying build/lib/ase/optimize/precon/precon.py -> build/bdist.linux-i686/wheel/./ase/optimize/precon -copying build/lib/ase/optimize/precon/lbfgs.py -> build/bdist.linux-i686/wheel/./ase/optimize/precon -copying build/lib/ase/optimize/precon/__init__.py -> build/bdist.linux-i686/wheel/./ase/optimize/precon -copying build/lib/ase/optimize/precon/neighbors.py -> build/bdist.linux-i686/wheel/./ase/optimize/precon -copying build/lib/ase/optimize/precon/fire.py -> build/bdist.linux-i686/wheel/./ase/optimize/precon -copying build/lib/ase/optimize/optimize.py -> build/bdist.linux-i686/wheel/./ase/optimize -copying build/lib/ase/optimize/bfgs.py -> build/bdist.linux-i686/wheel/./ase/optimize -copying build/lib/ase/optimize/cellawarebfgs.py -> build/bdist.linux-i686/wheel/./ase/optimize -copying build/lib/ase/optimize/fire.py -> build/bdist.linux-i686/wheel/./ase/optimize -copying build/lib/ase/__init__.py -> build/bdist.linux-i686/wheel/./ase -copying build/lib/ase/outputs.py -> build/bdist.linux-i686/wheel/./ase -copying build/lib/ase/phasediagram.py -> build/bdist.linux-i686/wheel/./ase -copying build/lib/ase/units.py -> build/bdist.linux-i686/wheel/./ase -copying build/lib/ase/constraints.py -> build/bdist.linux-i686/wheel/./ase -creating build/bdist.linux-i686/wheel/ase/utils -copying build/lib/ase/utils/ptable.py -> build/bdist.linux-i686/wheel/./ase/utils -copying build/lib/ase/utils/plugins.py -> build/bdist.linux-i686/wheel/./ase/utils -copying build/lib/ase/utils/filecache.py -> build/bdist.linux-i686/wheel/./ase/utils -copying build/lib/ase/utils/cube.py -> build/bdist.linux-i686/wheel/./ase/utils -copying build/lib/ase/utils/linesearcharmijo.py -> build/bdist.linux-i686/wheel/./ase/utils -copying build/lib/ase/utils/cext.py -> build/bdist.linux-i686/wheel/./ase/utils -copying build/lib/ase/utils/newrelease.py -> build/bdist.linux-i686/wheel/./ase/utils -copying build/lib/ase/utils/parsemath.py -> build/bdist.linux-i686/wheel/./ase/utils -copying build/lib/ase/utils/xrdebye.py -> build/bdist.linux-i686/wheel/./ase/utils -copying build/lib/ase/utils/abc.py -> build/bdist.linux-i686/wheel/./ase/utils -copying build/lib/ase/utils/linesearch.py -> build/bdist.linux-i686/wheel/./ase/utils -copying build/lib/ase/utils/sphinx.py -> build/bdist.linux-i686/wheel/./ase/utils -copying build/lib/ase/utils/__init__.py -> build/bdist.linux-i686/wheel/./ase/utils -copying build/lib/ase/utils/checkimports.py -> build/bdist.linux-i686/wheel/./ase/utils -copying build/lib/ase/utils/plotting.py -> build/bdist.linux-i686/wheel/./ase/utils -copying build/lib/ase/utils/timing.py -> build/bdist.linux-i686/wheel/./ase/utils -copying build/lib/ase/utils/deltacodesdft.py -> build/bdist.linux-i686/wheel/./ase/utils -copying build/lib/ase/utils/build_web_page.py -> build/bdist.linux-i686/wheel/./ase/utils -copying build/lib/ase/utils/structure_comparator.py -> build/bdist.linux-i686/wheel/./ase/utils -copying build/lib/ase/utils/arraywrapper.py -> build/bdist.linux-i686/wheel/./ase/utils -copying build/lib/ase/utils/ff.py -> build/bdist.linux-i686/wheel/./ase/utils -copying build/lib/ase/utils/forcecurve.py -> build/bdist.linux-i686/wheel/./ase/utils -copying build/lib/ase/dimer.py -> build/bdist.linux-i686/wheel/./ase +copying build/lib/ase/gui/nanotube.py -> build/bdist.linux-i686/wheel/./ase/gui +copying build/lib/ase/gui/save.py -> build/bdist.linux-i686/wheel/./ase/gui +copying build/lib/ase/gui/movie.py -> build/bdist.linux-i686/wheel/./ase/gui +copying build/lib/ase/gui/images.py -> build/bdist.linux-i686/wheel/./ase/gui +copying build/lib/ase/gui/celleditor.py -> build/bdist.linux-i686/wheel/./ase/gui +copying build/lib/ase/gui/__init__.py -> build/bdist.linux-i686/wheel/./ase/gui +copying build/lib/ase/gui/utils.py -> build/bdist.linux-i686/wheel/./ase/gui +copying build/lib/ase/gui/gui.py -> build/bdist.linux-i686/wheel/./ase/gui +copying build/lib/ase/gui/quickinfo.py -> build/bdist.linux-i686/wheel/./ase/gui +copying build/lib/ase/gui/graphs.py -> build/bdist.linux-i686/wheel/./ase/gui +copying build/lib/ase/gui/add.py -> build/bdist.linux-i686/wheel/./ase/gui +copying build/lib/ase/gui/surfaceslab.py -> build/bdist.linux-i686/wheel/./ase/gui +copying build/lib/ase/quaternions.py -> build/bdist.linux-i686/wheel/./ase +creating build/bdist.linux-i686/wheel/ase/build +copying build/lib/ase/build/niggli.py -> build/bdist.linux-i686/wheel/./ase/build +copying build/lib/ase/build/surface.py -> build/bdist.linux-i686/wheel/./ase/build +copying build/lib/ase/build/general_surface.py -> build/bdist.linux-i686/wheel/./ase/build +copying build/lib/ase/build/rotate.py -> build/bdist.linux-i686/wheel/./ase/build +copying build/lib/ase/build/root.py -> build/bdist.linux-i686/wheel/./ase/build +copying build/lib/ase/build/attach.py -> build/bdist.linux-i686/wheel/./ase/build +copying build/lib/ase/build/molecule.py -> build/bdist.linux-i686/wheel/./ase/build +copying build/lib/ase/build/surfaces_with_termination.py -> build/bdist.linux-i686/wheel/./ase/build +copying build/lib/ase/build/ribbon.py -> build/bdist.linux-i686/wheel/./ase/build +copying build/lib/ase/build/supercells.py -> build/bdist.linux-i686/wheel/./ase/build +copying build/lib/ase/build/__init__.py -> build/bdist.linux-i686/wheel/./ase/build +copying build/lib/ase/build/tools.py -> build/bdist.linux-i686/wheel/./ase/build +copying build/lib/ase/build/connected.py -> build/bdist.linux-i686/wheel/./ase/build +copying build/lib/ase/build/tube.py -> build/bdist.linux-i686/wheel/./ase/build +copying build/lib/ase/build/bulk.py -> build/bdist.linux-i686/wheel/./ase/build +copying build/lib/ase/parallel.py -> build/bdist.linux-i686/wheel/./ase +creating build/bdist.linux-i686/wheel/ase/mep +copying build/lib/ase/mep/dimer.py -> build/bdist.linux-i686/wheel/./ase/mep +copying build/lib/ase/mep/dyneb.py -> build/bdist.linux-i686/wheel/./ase/mep +copying build/lib/ase/mep/__init__.py -> build/bdist.linux-i686/wheel/./ase/mep +copying build/lib/ase/mep/neb.py -> build/bdist.linux-i686/wheel/./ase/mep +copying build/lib/ase/mep/autoneb.py -> build/bdist.linux-i686/wheel/./ase/mep +creating build/bdist.linux-i686/wheel/ase/spacegroup +copying build/lib/ase/spacegroup/crystal_data.py -> build/bdist.linux-i686/wheel/./ase/spacegroup +copying build/lib/ase/spacegroup/spacegroup.py -> build/bdist.linux-i686/wheel/./ase/spacegroup +copying build/lib/ase/spacegroup/xtal.py -> build/bdist.linux-i686/wheel/./ase/spacegroup +copying build/lib/ase/spacegroup/spacegroup.dat -> build/bdist.linux-i686/wheel/./ase/spacegroup +copying build/lib/ase/spacegroup/symmetrize.py -> build/bdist.linux-i686/wheel/./ase/spacegroup +copying build/lib/ase/spacegroup/__init__.py -> build/bdist.linux-i686/wheel/./ase/spacegroup +copying build/lib/ase/spacegroup/utils.py -> build/bdist.linux-i686/wheel/./ase/spacegroup +copying build/lib/ase/symbols.py -> build/bdist.linux-i686/wheel/./ase creating build/bdist.linux-i686/wheel/ase/collections -copying build/lib/ase/collections/collection.py -> build/bdist.linux-i686/wheel/./ase/collections -copying build/lib/ase/collections/dcdft.json -> build/bdist.linux-i686/wheel/./ase/collections copying build/lib/ase/collections/s22.json -> build/bdist.linux-i686/wheel/./ase/collections copying build/lib/ase/collections/create.py -> build/bdist.linux-i686/wheel/./ase/collections -copying build/lib/ase/collections/__init__.py -> build/bdist.linux-i686/wheel/./ase/collections +copying build/lib/ase/collections/dcdft.json -> build/bdist.linux-i686/wheel/./ase/collections +copying build/lib/ase/collections/collection.py -> build/bdist.linux-i686/wheel/./ase/collections copying build/lib/ase/collections/g2.json -> build/bdist.linux-i686/wheel/./ase/collections -copying build/lib/ase/cell.py -> build/bdist.linux-i686/wheel/./ase +copying build/lib/ase/collections/__init__.py -> build/bdist.linux-i686/wheel/./ase/collections +copying build/lib/ase/constraints.py -> build/bdist.linux-i686/wheel/./ase +copying build/lib/ase/phonons.py -> build/bdist.linux-i686/wheel/./ase +creating build/bdist.linux-i686/wheel/ase/spectrum +copying build/lib/ase/spectrum/band_structure.py -> build/bdist.linux-i686/wheel/./ase/spectrum +copying build/lib/ase/spectrum/dosdata.py -> build/bdist.linux-i686/wheel/./ase/spectrum +copying build/lib/ase/spectrum/__init__.py -> build/bdist.linux-i686/wheel/./ase/spectrum +copying build/lib/ase/spectrum/doscollection.py -> build/bdist.linux-i686/wheel/./ase/spectrum +creating build/bdist.linux-i686/wheel/ase/db +creating build/bdist.linux-i686/wheel/ase/db/templates +copying build/lib/ase/db/templates/row.html -> build/bdist.linux-i686/wheel/./ase/db/templates +copying build/lib/ase/db/templates/layout.html -> build/bdist.linux-i686/wheel/./ase/db/templates +copying build/lib/ase/db/templates/style.html -> build/bdist.linux-i686/wheel/./ase/db/templates +copying build/lib/ase/db/templates/search.html -> build/bdist.linux-i686/wheel/./ase/db/templates +copying build/lib/ase/db/templates/js.html -> build/bdist.linux-i686/wheel/./ase/db/templates +copying build/lib/ase/db/templates/table.html -> build/bdist.linux-i686/wheel/./ase/db/templates +copying build/lib/ase/db/mysql.py -> build/bdist.linux-i686/wheel/./ase/db +copying build/lib/ase/db/postgresql.py -> build/bdist.linux-i686/wheel/./ase/db +copying build/lib/ase/db/project.py -> build/bdist.linux-i686/wheel/./ase/db +copying build/lib/ase/db/convert.py -> build/bdist.linux-i686/wheel/./ase/db +copying build/lib/ase/db/table.py -> build/bdist.linux-i686/wheel/./ase/db +copying build/lib/ase/db/core.py -> build/bdist.linux-i686/wheel/./ase/db +copying build/lib/ase/db/__init__.py -> build/bdist.linux-i686/wheel/./ase/db +copying build/lib/ase/db/row.py -> build/bdist.linux-i686/wheel/./ase/db +copying build/lib/ase/db/app.py -> build/bdist.linux-i686/wheel/./ase/db +creating build/bdist.linux-i686/wheel/ase/db/static +copying build/lib/ase/db/static/row.js -> build/bdist.linux-i686/wheel/./ase/db/static +copying build/lib/ase/db/static/style.css -> build/bdist.linux-i686/wheel/./ase/db/static +copying build/lib/ase/db/static/search.js -> build/bdist.linux-i686/wheel/./ase/db/static +copying build/lib/ase/db/cli.py -> build/bdist.linux-i686/wheel/./ase/db +copying build/lib/ase/db/jsondb.py -> build/bdist.linux-i686/wheel/./ase/db +copying build/lib/ase/db/web.py -> build/bdist.linux-i686/wheel/./ase/db +copying build/lib/ase/db/sqlite.py -> build/bdist.linux-i686/wheel/./ase/db +copying build/lib/ase/nomad.py -> build/bdist.linux-i686/wheel/./ase +copying build/lib/ase/config.py -> build/bdist.linux-i686/wheel/./ase creating build/bdist.linux-i686/wheel/ase/geometry -copying build/lib/ase/geometry/analysis.py -> build/bdist.linux-i686/wheel/./ase/geometry -copying build/lib/ase/geometry/__init__.py -> build/bdist.linux-i686/wheel/./ase/geometry copying build/lib/ase/geometry/bravais_type_engine.py -> build/bdist.linux-i686/wheel/./ase/geometry -copying build/lib/ase/geometry/geometry.py -> build/bdist.linux-i686/wheel/./ase/geometry -copying build/lib/ase/geometry/cell.py -> build/bdist.linux-i686/wheel/./ase/geometry -copying build/lib/ase/geometry/minkowski_reduction.py -> build/bdist.linux-i686/wheel/./ase/geometry -copying build/lib/ase/geometry/distance.py -> build/bdist.linux-i686/wheel/./ase/geometry copying build/lib/ase/geometry/rdf.py -> build/bdist.linux-i686/wheel/./ase/geometry creating build/bdist.linux-i686/wheel/ase/geometry/dimensionality +copying build/lib/ase/geometry/dimensionality/disjoint_set.py -> build/bdist.linux-i686/wheel/./ase/geometry/dimensionality +copying build/lib/ase/geometry/dimensionality/bond_generator.py -> build/bdist.linux-i686/wheel/./ase/geometry/dimensionality +copying build/lib/ase/geometry/dimensionality/interval_analysis.py -> build/bdist.linux-i686/wheel/./ase/geometry/dimensionality copying build/lib/ase/geometry/dimensionality/isolation.py -> build/bdist.linux-i686/wheel/./ase/geometry/dimensionality copying build/lib/ase/geometry/dimensionality/rank_determination.py -> build/bdist.linux-i686/wheel/./ase/geometry/dimensionality copying build/lib/ase/geometry/dimensionality/topology_scaling.py -> build/bdist.linux-i686/wheel/./ase/geometry/dimensionality copying build/lib/ase/geometry/dimensionality/__init__.py -> build/bdist.linux-i686/wheel/./ase/geometry/dimensionality -copying build/lib/ase/geometry/dimensionality/interval_analysis.py -> build/bdist.linux-i686/wheel/./ase/geometry/dimensionality -copying build/lib/ase/geometry/dimensionality/bond_generator.py -> build/bdist.linux-i686/wheel/./ase/geometry/dimensionality -copying build/lib/ase/geometry/dimensionality/disjoint_set.py -> build/bdist.linux-i686/wheel/./ase/geometry/dimensionality -creating build/bdist.linux-i686/wheel/ase/ga -copying build/lib/ase/ga/pbs_queue_run.py -> build/bdist.linux-i686/wheel/./ase/ga -copying build/lib/ase/ga/bulk_utilities.py -> build/bdist.linux-i686/wheel/./ase/ga -copying build/lib/ase/ga/standard_comparators.py -> build/bdist.linux-i686/wheel/./ase/ga -copying build/lib/ase/ga/startgenerator.py -> build/bdist.linux-i686/wheel/./ase/ga -copying build/lib/ase/ga/utilities.py -> build/bdist.linux-i686/wheel/./ase/ga -copying build/lib/ase/ga/ofp_comparator.py -> build/bdist.linux-i686/wheel/./ase/ga -copying build/lib/ase/ga/bulk_startgenerator.py -> build/bdist.linux-i686/wheel/./ase/ga -copying build/lib/ase/ga/offspring_creator.py -> build/bdist.linux-i686/wheel/./ase/ga -copying build/lib/ase/ga/slab_operators.py -> build/bdist.linux-i686/wheel/./ase/ga -copying build/lib/ase/ga/parallellocalrun.py -> build/bdist.linux-i686/wheel/./ase/ga -copying build/lib/ase/ga/element_crossovers.py -> build/bdist.linux-i686/wheel/./ase/ga -copying build/lib/ase/ga/data.py -> build/bdist.linux-i686/wheel/./ase/ga -copying build/lib/ase/ga/population.py -> build/bdist.linux-i686/wheel/./ase/ga -copying build/lib/ase/ga/soft_mutation.py -> build/bdist.linux-i686/wheel/./ase/ga -copying build/lib/ase/ga/convergence.py -> build/bdist.linux-i686/wheel/./ase/ga -copying build/lib/ase/ga/__init__.py -> build/bdist.linux-i686/wheel/./ase/ga -copying build/lib/ase/ga/particle_comparator.py -> build/bdist.linux-i686/wheel/./ase/ga -copying build/lib/ase/ga/particle_crossovers.py -> build/bdist.linux-i686/wheel/./ase/ga -copying build/lib/ase/ga/multiprocessingrun.py -> build/bdist.linux-i686/wheel/./ase/ga -copying build/lib/ase/ga/bulk_crossovers.py -> build/bdist.linux-i686/wheel/./ase/ga -copying build/lib/ase/ga/bulk_mutations.py -> build/bdist.linux-i686/wheel/./ase/ga -copying build/lib/ase/ga/element_mutations.py -> build/bdist.linux-i686/wheel/./ase/ga -copying build/lib/ase/ga/relax_attaches.py -> build/bdist.linux-i686/wheel/./ase/ga -copying build/lib/ase/ga/particle_mutations.py -> build/bdist.linux-i686/wheel/./ase/ga -copying build/lib/ase/ga/cutandsplicepairing.py -> build/bdist.linux-i686/wheel/./ase/ga -copying build/lib/ase/ga/standardmutations.py -> build/bdist.linux-i686/wheel/./ase/ga +copying build/lib/ase/geometry/analysis.py -> build/bdist.linux-i686/wheel/./ase/geometry +copying build/lib/ase/geometry/cell.py -> build/bdist.linux-i686/wheel/./ase/geometry +copying build/lib/ase/geometry/geometry.py -> build/bdist.linux-i686/wheel/./ase/geometry +copying build/lib/ase/geometry/minkowski_reduction.py -> build/bdist.linux-i686/wheel/./ase/geometry +copying build/lib/ase/geometry/distance.py -> build/bdist.linux-i686/wheel/./ase/geometry +copying build/lib/ase/geometry/__init__.py -> build/bdist.linux-i686/wheel/./ase/geometry creating build/bdist.linux-i686/wheel/ase/calculators copying build/lib/ase/calculators/excitation_list.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/fleur.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/aims.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/gaussian.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/h2morse.py -> build/bdist.linux-i686/wheel/./ase/calculators -creating build/bdist.linux-i686/wheel/ase/calculators/vasp -copying build/lib/ase/calculators/vasp/create_input.py -> build/bdist.linux-i686/wheel/./ase/calculators/vasp -copying build/lib/ase/calculators/vasp/vasp.py -> build/bdist.linux-i686/wheel/./ase/calculators/vasp -copying build/lib/ase/calculators/vasp/vasp_data.py -> build/bdist.linux-i686/wheel/./ase/calculators/vasp -copying build/lib/ase/calculators/vasp/__init__.py -> build/bdist.linux-i686/wheel/./ase/calculators/vasp -copying build/lib/ase/calculators/vasp/vasp2.py -> build/bdist.linux-i686/wheel/./ase/calculators/vasp -copying build/lib/ase/calculators/vasp/setups.py -> build/bdist.linux-i686/wheel/./ase/calculators/vasp -copying build/lib/ase/calculators/vasp/vasp_auxiliary.py -> build/bdist.linux-i686/wheel/./ase/calculators/vasp -copying build/lib/ase/calculators/vasp/interactive.py -> build/bdist.linux-i686/wheel/./ase/calculators/vasp -copying build/lib/ase/calculators/socketio.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/harmonic.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/qchem.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/espresso.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/fd.py -> build/bdist.linux-i686/wheel/./ase/calculators copying build/lib/ase/calculators/subprocesscalculator.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/tip3p.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/dftb.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/combine_mm.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/test.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/calculator.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/eam.py -> build/bdist.linux-i686/wheel/./ase/calculators -creating build/bdist.linux-i686/wheel/ase/calculators/turbomole -copying build/lib/ase/calculators/turbomole/__init__.py -> build/bdist.linux-i686/wheel/./ase/calculators/turbomole -copying build/lib/ase/calculators/turbomole/turbomole.py -> build/bdist.linux-i686/wheel/./ase/calculators/turbomole -copying build/lib/ase/calculators/turbomole/writer.py -> build/bdist.linux-i686/wheel/./ase/calculators/turbomole -copying build/lib/ase/calculators/turbomole/reader.py -> build/bdist.linux-i686/wheel/./ase/calculators/turbomole -copying build/lib/ase/calculators/turbomole/parameters.py -> build/bdist.linux-i686/wheel/./ase/calculators/turbomole -copying build/lib/ase/calculators/turbomole/executor.py -> build/bdist.linux-i686/wheel/./ase/calculators/turbomole creating build/bdist.linux-i686/wheel/ase/calculators/siesta -copying build/lib/ase/calculators/siesta/siesta.py -> build/bdist.linux-i686/wheel/./ase/calculators/siesta -copying build/lib/ase/calculators/siesta/siesta_lrtddft.py -> build/bdist.linux-i686/wheel/./ase/calculators/siesta copying build/lib/ase/calculators/siesta/import_ion_xml.py -> build/bdist.linux-i686/wheel/./ase/calculators/siesta -copying build/lib/ase/calculators/siesta/__init__.py -> build/bdist.linux-i686/wheel/./ase/calculators/siesta +copying build/lib/ase/calculators/siesta/siesta_lrtddft.py -> build/bdist.linux-i686/wheel/./ase/calculators/siesta copying build/lib/ase/calculators/siesta/parameters.py -> build/bdist.linux-i686/wheel/./ase/calculators/siesta -copying build/lib/ase/calculators/psi4.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/castep.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/siesta/__init__.py -> build/bdist.linux-i686/wheel/./ase/calculators/siesta +copying build/lib/ase/calculators/siesta/siesta.py -> build/bdist.linux-i686/wheel/./ase/calculators/siesta +copying build/lib/ase/calculators/h2morse.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/cp2k.py -> build/bdist.linux-i686/wheel/./ase/calculators creating build/bdist.linux-i686/wheel/ase/calculators/exciting -copying build/lib/ase/calculators/exciting/__init__.py -> build/bdist.linux-i686/wheel/./ase/calculators/exciting copying build/lib/ase/calculators/exciting/runner.py -> build/bdist.linux-i686/wheel/./ase/calculators/exciting copying build/lib/ase/calculators/exciting/exciting.py -> build/bdist.linux-i686/wheel/./ase/calculators/exciting -copying build/lib/ase/calculators/emt.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/lj.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/elk.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/mopac.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/tip4p.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/plumed.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/abc.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/exciting/__init__.py -> build/bdist.linux-i686/wheel/./ase/calculators/exciting +copying build/lib/ase/calculators/checkpoint.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/qchem.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/calculator.py -> build/bdist.linux-i686/wheel/./ase/calculators +creating build/bdist.linux-i686/wheel/ase/calculators/vasp +copying build/lib/ase/calculators/vasp/vasp.py -> build/bdist.linux-i686/wheel/./ase/calculators/vasp +copying build/lib/ase/calculators/vasp/create_input.py -> build/bdist.linux-i686/wheel/./ase/calculators/vasp +copying build/lib/ase/calculators/vasp/interactive.py -> build/bdist.linux-i686/wheel/./ase/calculators/vasp +copying build/lib/ase/calculators/vasp/setups.py -> build/bdist.linux-i686/wheel/./ase/calculators/vasp +copying build/lib/ase/calculators/vasp/vasp_auxiliary.py -> build/bdist.linux-i686/wheel/./ase/calculators/vasp +copying build/lib/ase/calculators/vasp/vasp_data.py -> build/bdist.linux-i686/wheel/./ase/calculators/vasp +copying build/lib/ase/calculators/vasp/vasp2.py -> build/bdist.linux-i686/wheel/./ase/calculators/vasp +copying build/lib/ase/calculators/vasp/__init__.py -> build/bdist.linux-i686/wheel/./ase/calculators/vasp +copying build/lib/ase/calculators/ff.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/singlepoint.py -> build/bdist.linux-i686/wheel/./ase/calculators +creating build/bdist.linux-i686/wheel/ase/calculators/lammps +copying build/lib/ase/calculators/lammps/coordinatetransform.py -> build/bdist.linux-i686/wheel/./ase/calculators/lammps +copying build/lib/ase/calculators/lammps/unitconvert_constants.py -> build/bdist.linux-i686/wheel/./ase/calculators/lammps +copying build/lib/ase/calculators/lammps/unitconvert.py -> build/bdist.linux-i686/wheel/./ase/calculators/lammps +copying build/lib/ase/calculators/lammps/__init__.py -> build/bdist.linux-i686/wheel/./ase/calculators/lammps +copying build/lib/ase/calculators/lammps/inputwriter.py -> build/bdist.linux-i686/wheel/./ase/calculators/lammps +copying build/lib/ase/calculators/gulp.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/nwchem.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/onetep.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/fleur.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/loggingcalc.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/eam.py -> build/bdist.linux-i686/wheel/./ase/calculators copying build/lib/ase/calculators/gamess_us.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/dmol.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/morse.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/crystal.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/polarizability.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/acemolecule.py -> build/bdist.linux-i686/wheel/./ase/calculators copying build/lib/ase/calculators/lammpsrun.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/gulp.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/genericfileio.py -> build/bdist.linux-i686/wheel/./ase/calculators +creating build/bdist.linux-i686/wheel/ase/calculators/demon +copying build/lib/ase/calculators/demon/demon_io.py -> build/bdist.linux-i686/wheel/./ase/calculators/demon +copying build/lib/ase/calculators/demon/__init__.py -> build/bdist.linux-i686/wheel/./ase/calculators/demon +copying build/lib/ase/calculators/demon/demon.py -> build/bdist.linux-i686/wheel/./ase/calculators/demon copying build/lib/ase/calculators/qmmm.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/octopus.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/morse.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/aims.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/vdwcorrection.py -> build/bdist.linux-i686/wheel/./ase/calculators copying build/lib/ase/calculators/counterions.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/names.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/tip3p.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/test.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/dftb.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/dftd3.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/idealgas.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/gromacs.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/orca.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/castep.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/mixing.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/fd.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/dmol.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/emt.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/combine_mm.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/plumed.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/bond_polarizability.py -> build/bdist.linux-i686/wheel/./ase/calculators creating build/bdist.linux-i686/wheel/ase/calculators/kim copying build/lib/ase/calculators/kim/exceptions.py -> build/bdist.linux-i686/wheel/./ase/calculators/kim +copying build/lib/ase/calculators/kim/kimpy_wrappers.py -> build/bdist.linux-i686/wheel/./ase/calculators/kim +copying build/lib/ase/calculators/kim/calculators.py -> build/bdist.linux-i686/wheel/./ase/calculators/kim +copying build/lib/ase/calculators/kim/kim.py -> build/bdist.linux-i686/wheel/./ase/calculators/kim copying build/lib/ase/calculators/kim/kimmodel.py -> build/bdist.linux-i686/wheel/./ase/calculators/kim copying build/lib/ase/calculators/kim/neighborlist.py -> build/bdist.linux-i686/wheel/./ase/calculators/kim -copying build/lib/ase/calculators/kim/kim.py -> build/bdist.linux-i686/wheel/./ase/calculators/kim copying build/lib/ase/calculators/kim/__init__.py -> build/bdist.linux-i686/wheel/./ase/calculators/kim -copying build/lib/ase/calculators/kim/kimpy_wrappers.py -> build/bdist.linux-i686/wheel/./ase/calculators/kim -copying build/lib/ase/calculators/kim/calculators.py -> build/bdist.linux-i686/wheel/./ase/calculators/kim -copying build/lib/ase/calculators/genericfileio.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/lj.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/tip4p.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/abc.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/abinit.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/harmonic.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/demonnano.py -> build/bdist.linux-i686/wheel/./ase/calculators +creating build/bdist.linux-i686/wheel/ase/calculators/turbomole +copying build/lib/ase/calculators/turbomole/turbomole.py -> build/bdist.linux-i686/wheel/./ase/calculators/turbomole +copying build/lib/ase/calculators/turbomole/executor.py -> build/bdist.linux-i686/wheel/./ase/calculators/turbomole +copying build/lib/ase/calculators/turbomole/parameters.py -> build/bdist.linux-i686/wheel/./ase/calculators/turbomole +copying build/lib/ase/calculators/turbomole/reader.py -> build/bdist.linux-i686/wheel/./ase/calculators/turbomole +copying build/lib/ase/calculators/turbomole/__init__.py -> build/bdist.linux-i686/wheel/./ase/calculators/turbomole +copying build/lib/ase/calculators/turbomole/writer.py -> build/bdist.linux-i686/wheel/./ase/calculators/turbomole +copying build/lib/ase/calculators/mopac.py -> build/bdist.linux-i686/wheel/./ase/calculators copying build/lib/ase/calculators/__init__.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/singlepoint.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/loggingcalc.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/names.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/gromacs.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/orca.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/octopus.py -> build/bdist.linux-i686/wheel/./ase/calculators copying build/lib/ase/calculators/lammpslib.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/onetep.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/idealgas.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/dftd3.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/nwchem.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/cp2k.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/acn.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/psi4.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/crystal.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/amber.py -> build/bdist.linux-i686/wheel/./ase/calculators creating build/bdist.linux-i686/wheel/ase/calculators/openmx +copying build/lib/ase/calculators/openmx/openmx.py -> build/bdist.linux-i686/wheel/./ase/calculators/openmx copying build/lib/ase/calculators/openmx/default_settings.py -> build/bdist.linux-i686/wheel/./ase/calculators/openmx +copying build/lib/ase/calculators/openmx/parameters.py -> build/bdist.linux-i686/wheel/./ase/calculators/openmx copying build/lib/ase/calculators/openmx/dos.py -> build/bdist.linux-i686/wheel/./ase/calculators/openmx +copying build/lib/ase/calculators/openmx/reader.py -> build/bdist.linux-i686/wheel/./ase/calculators/openmx copying build/lib/ase/calculators/openmx/__init__.py -> build/bdist.linux-i686/wheel/./ase/calculators/openmx copying build/lib/ase/calculators/openmx/writer.py -> build/bdist.linux-i686/wheel/./ase/calculators/openmx -copying build/lib/ase/calculators/openmx/reader.py -> build/bdist.linux-i686/wheel/./ase/calculators/openmx -copying build/lib/ase/calculators/openmx/parameters.py -> build/bdist.linux-i686/wheel/./ase/calculators/openmx -copying build/lib/ase/calculators/openmx/openmx.py -> build/bdist.linux-i686/wheel/./ase/calculators/openmx -copying build/lib/ase/calculators/vdwcorrection.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/polarizability.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/bond_polarizability.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/abinit.py -> build/bdist.linux-i686/wheel/./ase/calculators -creating build/bdist.linux-i686/wheel/ase/calculators/lammps -copying build/lib/ase/calculators/lammps/coordinatetransform.py -> build/bdist.linux-i686/wheel/./ase/calculators/lammps -copying build/lib/ase/calculators/lammps/unitconvert.py -> build/bdist.linux-i686/wheel/./ase/calculators/lammps -copying build/lib/ase/calculators/lammps/__init__.py -> build/bdist.linux-i686/wheel/./ase/calculators/lammps -copying build/lib/ase/calculators/lammps/unitconvert_constants.py -> build/bdist.linux-i686/wheel/./ase/calculators/lammps -copying build/lib/ase/calculators/lammps/inputwriter.py -> build/bdist.linux-i686/wheel/./ase/calculators/lammps -copying build/lib/ase/calculators/demonnano.py -> build/bdist.linux-i686/wheel/./ase/calculators -creating build/bdist.linux-i686/wheel/ase/calculators/demon -copying build/lib/ase/calculators/demon/demon_io.py -> build/bdist.linux-i686/wheel/./ase/calculators/demon -copying build/lib/ase/calculators/demon/demon.py -> build/bdist.linux-i686/wheel/./ase/calculators/demon -copying build/lib/ase/calculators/demon/__init__.py -> build/bdist.linux-i686/wheel/./ase/calculators/demon -copying build/lib/ase/calculators/mixing.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/amber.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/checkpoint.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/ff.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/calculators/acemolecule.py -> build/bdist.linux-i686/wheel/./ase/calculators -copying build/lib/ase/codes.py -> build/bdist.linux-i686/wheel/./ase -copying build/lib/ase/quaternions.py -> build/bdist.linux-i686/wheel/./ase -creating build/bdist.linux-i686/wheel/ase/build -copying build/lib/ase/build/general_surface.py -> build/bdist.linux-i686/wheel/./ase/build -copying build/lib/ase/build/surface.py -> build/bdist.linux-i686/wheel/./ase/build -copying build/lib/ase/build/surfaces_with_termination.py -> build/bdist.linux-i686/wheel/./ase/build -copying build/lib/ase/build/rotate.py -> build/bdist.linux-i686/wheel/./ase/build -copying build/lib/ase/build/bulk.py -> build/bdist.linux-i686/wheel/./ase/build -copying build/lib/ase/build/tools.py -> build/bdist.linux-i686/wheel/./ase/build -copying build/lib/ase/build/connected.py -> build/bdist.linux-i686/wheel/./ase/build -copying build/lib/ase/build/ribbon.py -> build/bdist.linux-i686/wheel/./ase/build -copying build/lib/ase/build/supercells.py -> build/bdist.linux-i686/wheel/./ase/build -copying build/lib/ase/build/root.py -> build/bdist.linux-i686/wheel/./ase/build -copying build/lib/ase/build/tube.py -> build/bdist.linux-i686/wheel/./ase/build -copying build/lib/ase/build/__init__.py -> build/bdist.linux-i686/wheel/./ase/build -copying build/lib/ase/build/niggli.py -> build/bdist.linux-i686/wheel/./ase/build -copying build/lib/ase/build/attach.py -> build/bdist.linux-i686/wheel/./ase/build -copying build/lib/ase/build/molecule.py -> build/bdist.linux-i686/wheel/./ase/build -creating build/bdist.linux-i686/wheel/ase/data -copying build/lib/ase/data/cohesive_energies.py -> build/bdist.linux-i686/wheel/./ase/data -copying build/lib/ase/data/isotopes.py -> build/bdist.linux-i686/wheel/./ase/data -copying build/lib/ase/data/dbh24.py -> build/bdist.linux-i686/wheel/./ase/data -copying build/lib/ase/data/colors.py -> build/bdist.linux-i686/wheel/./ase/data -copying build/lib/ase/data/__init__.py -> build/bdist.linux-i686/wheel/./ase/data -copying build/lib/ase/data/cccbdb_ip.py -> build/bdist.linux-i686/wheel/./ase/data -copying build/lib/ase/data/pubchem.py -> build/bdist.linux-i686/wheel/./ase/data -copying build/lib/ase/data/g2.py -> build/bdist.linux-i686/wheel/./ase/data -copying build/lib/ase/data/extra_molecules.py -> build/bdist.linux-i686/wheel/./ase/data -copying build/lib/ase/data/vdw_alvarez.py -> build/bdist.linux-i686/wheel/./ase/data -copying build/lib/ase/data/g2_1.py -> build/bdist.linux-i686/wheel/./ase/data -copying build/lib/ase/data/vdw.py -> build/bdist.linux-i686/wheel/./ase/data -copying build/lib/ase/data/g2_2.py -> build/bdist.linux-i686/wheel/./ase/data -copying build/lib/ase/data/s22.py -> build/bdist.linux-i686/wheel/./ase/data -copying build/lib/ase/config.py -> build/bdist.linux-i686/wheel/./ase -creating build/bdist.linux-i686/wheel/ase/cluster -copying build/lib/ase/cluster/hexagonal.py -> build/bdist.linux-i686/wheel/./ase/cluster -copying build/lib/ase/cluster/util.py -> build/bdist.linux-i686/wheel/./ase/cluster -copying build/lib/ase/cluster/__init__.py -> build/bdist.linux-i686/wheel/./ase/cluster -copying build/lib/ase/cluster/cluster.py -> build/bdist.linux-i686/wheel/./ase/cluster -copying build/lib/ase/cluster/cubic.py -> build/bdist.linux-i686/wheel/./ase/cluster -copying build/lib/ase/cluster/compounds.py -> build/bdist.linux-i686/wheel/./ase/cluster -copying build/lib/ase/cluster/icosahedron.py -> build/bdist.linux-i686/wheel/./ase/cluster -copying build/lib/ase/cluster/decahedron.py -> build/bdist.linux-i686/wheel/./ase/cluster -copying build/lib/ase/cluster/wulff.py -> build/bdist.linux-i686/wheel/./ase/cluster -copying build/lib/ase/cluster/octahedron.py -> build/bdist.linux-i686/wheel/./ase/cluster -copying build/lib/ase/cluster/factory.py -> build/bdist.linux-i686/wheel/./ase/cluster -copying build/lib/ase/cluster/base.py -> build/bdist.linux-i686/wheel/./ase/cluster -copying build/lib/ase/filters.py -> build/bdist.linux-i686/wheel/./ase -creating build/bdist.linux-i686/wheel/ase/md -copying build/lib/ase/md/verlet.py -> build/bdist.linux-i686/wheel/./ase/md -copying build/lib/ase/md/nptberendsen.py -> build/bdist.linux-i686/wheel/./ase/md -copying build/lib/ase/md/velocitydistribution.py -> build/bdist.linux-i686/wheel/./ase/md -copying build/lib/ase/md/fix.py -> build/bdist.linux-i686/wheel/./ase/md -copying build/lib/ase/md/bussi.py -> build/bdist.linux-i686/wheel/./ase/md -copying build/lib/ase/md/logger.py -> build/bdist.linux-i686/wheel/./ase/md -copying build/lib/ase/md/analysis.py -> build/bdist.linux-i686/wheel/./ase/md -copying build/lib/ase/md/npt.py -> build/bdist.linux-i686/wheel/./ase/md -copying build/lib/ase/md/switch_langevin.py -> build/bdist.linux-i686/wheel/./ase/md -copying build/lib/ase/md/__init__.py -> build/bdist.linux-i686/wheel/./ase/md -copying build/lib/ase/md/nose_hoover_chain.py -> build/bdist.linux-i686/wheel/./ase/md -copying build/lib/ase/md/md.py -> build/bdist.linux-i686/wheel/./ase/md -copying build/lib/ase/md/nvtberendsen.py -> build/bdist.linux-i686/wheel/./ase/md -copying build/lib/ase/md/contour_exploration.py -> build/bdist.linux-i686/wheel/./ase/md -copying build/lib/ase/md/andersen.py -> build/bdist.linux-i686/wheel/./ase/md -copying build/lib/ase/md/langevin.py -> build/bdist.linux-i686/wheel/./ase/md +copying build/lib/ase/calculators/socketio.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/espresso.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/gaussian.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/acn.py -> build/bdist.linux-i686/wheel/./ase/calculators +copying build/lib/ase/calculators/elk.py -> build/bdist.linux-i686/wheel/./ase/calculators creating build/bdist.linux-i686/wheel/ase/lattice copying build/lib/ase/lattice/hexagonal.py -> build/bdist.linux-i686/wheel/./ase/lattice copying build/lib/ase/lattice/monoclinic.py -> build/bdist.linux-i686/wheel/./ase/lattice -copying build/lib/ase/lattice/triclinic.py -> build/bdist.linux-i686/wheel/./ase/lattice -copying build/lib/ase/lattice/orthorhombic.py -> build/bdist.linux-i686/wheel/./ase/lattice -copying build/lib/ase/lattice/__init__.py -> build/bdist.linux-i686/wheel/./ase/lattice -copying build/lib/ase/lattice/cubic.py -> build/bdist.linux-i686/wheel/./ase/lattice -copying build/lib/ase/lattice/compounds.py -> build/bdist.linux-i686/wheel/./ase/lattice copying build/lib/ase/lattice/tetragonal.py -> build/bdist.linux-i686/wheel/./ase/lattice copying build/lib/ase/lattice/bravais.py -> build/bdist.linux-i686/wheel/./ase/lattice -copying build/lib/ase/autoneb.py -> build/bdist.linux-i686/wheel/./ase -copying build/lib/ase/dependencies.py -> build/bdist.linux-i686/wheel/./ase -creating build/bdist.linux-i686/wheel/ase/transport -copying build/lib/ase/transport/tools.py -> build/bdist.linux-i686/wheel/./ase/transport -copying build/lib/ase/transport/greenfunction.py -> build/bdist.linux-i686/wheel/./ase/transport -copying build/lib/ase/transport/__init__.py -> build/bdist.linux-i686/wheel/./ase/transport -copying build/lib/ase/transport/calculators.py -> build/bdist.linux-i686/wheel/./ase/transport -copying build/lib/ase/transport/stm.py -> build/bdist.linux-i686/wheel/./ase/transport -copying build/lib/ase/transport/selfenergy.py -> build/bdist.linux-i686/wheel/./ase/transport -copying build/lib/ase/atoms.py -> build/bdist.linux-i686/wheel/./ase -creating build/bdist.linux-i686/wheel/ase/db -copying build/lib/ase/db/sqlite.py -> build/bdist.linux-i686/wheel/./ase/db -copying build/lib/ase/db/convert.py -> build/bdist.linux-i686/wheel/./ase/db -copying build/lib/ase/db/table.py -> build/bdist.linux-i686/wheel/./ase/db -creating build/bdist.linux-i686/wheel/ase/db/templates -copying build/lib/ase/db/templates/layout.html -> build/bdist.linux-i686/wheel/./ase/db/templates -copying build/lib/ase/db/templates/table.html -> build/bdist.linux-i686/wheel/./ase/db/templates -copying build/lib/ase/db/templates/search.html -> build/bdist.linux-i686/wheel/./ase/db/templates -copying build/lib/ase/db/templates/row.html -> build/bdist.linux-i686/wheel/./ase/db/templates -copying build/lib/ase/db/templates/js.html -> build/bdist.linux-i686/wheel/./ase/db/templates -copying build/lib/ase/db/templates/style.html -> build/bdist.linux-i686/wheel/./ase/db/templates -copying build/lib/ase/db/project.py -> build/bdist.linux-i686/wheel/./ase/db -copying build/lib/ase/db/postgresql.py -> build/bdist.linux-i686/wheel/./ase/db -copying build/lib/ase/db/__init__.py -> build/bdist.linux-i686/wheel/./ase/db -copying build/lib/ase/db/jsondb.py -> build/bdist.linux-i686/wheel/./ase/db -creating build/bdist.linux-i686/wheel/ase/db/static -copying build/lib/ase/db/static/style.css -> build/bdist.linux-i686/wheel/./ase/db/static -copying build/lib/ase/db/static/row.js -> build/bdist.linux-i686/wheel/./ase/db/static -copying build/lib/ase/db/static/search.js -> build/bdist.linux-i686/wheel/./ase/db/static -copying build/lib/ase/db/core.py -> build/bdist.linux-i686/wheel/./ase/db -copying build/lib/ase/db/mysql.py -> build/bdist.linux-i686/wheel/./ase/db -copying build/lib/ase/db/web.py -> build/bdist.linux-i686/wheel/./ase/db -copying build/lib/ase/db/row.py -> build/bdist.linux-i686/wheel/./ase/db -copying build/lib/ase/db/app.py -> build/bdist.linux-i686/wheel/./ase/db -copying build/lib/ase/db/cli.py -> build/bdist.linux-i686/wheel/./ase/db +copying build/lib/ase/lattice/compounds.py -> build/bdist.linux-i686/wheel/./ase/lattice +copying build/lib/ase/lattice/orthorhombic.py -> build/bdist.linux-i686/wheel/./ase/lattice +copying build/lib/ase/lattice/triclinic.py -> build/bdist.linux-i686/wheel/./ase/lattice +copying build/lib/ase/lattice/cubic.py -> build/bdist.linux-i686/wheel/./ase/lattice +copying build/lib/ase/lattice/__init__.py -> build/bdist.linux-i686/wheel/./ase/lattice +copying build/lib/ase/stress.py -> build/bdist.linux-i686/wheel/./ase +copying build/lib/ase/pourbaix.py -> build/bdist.linux-i686/wheel/./ase +copying build/lib/ase/__main__.py -> build/bdist.linux-i686/wheel/./ase +copying build/lib/ase/filters.py -> build/bdist.linux-i686/wheel/./ase +copying build/lib/ase/dyneb.py -> build/bdist.linux-i686/wheel/./ase +creating build/bdist.linux-i686/wheel/ase/ga +copying build/lib/ase/ga/population.py -> build/bdist.linux-i686/wheel/./ase/ga +copying build/lib/ase/ga/particle_mutations.py -> build/bdist.linux-i686/wheel/./ase/ga +copying build/lib/ase/ga/standardmutations.py -> build/bdist.linux-i686/wheel/./ase/ga +copying build/lib/ase/ga/element_mutations.py -> build/bdist.linux-i686/wheel/./ase/ga +copying build/lib/ase/ga/particle_comparator.py -> build/bdist.linux-i686/wheel/./ase/ga +copying build/lib/ase/ga/data.py -> build/bdist.linux-i686/wheel/./ase/ga +copying build/lib/ase/ga/particle_crossovers.py -> build/bdist.linux-i686/wheel/./ase/ga +copying build/lib/ase/ga/slab_operators.py -> build/bdist.linux-i686/wheel/./ase/ga +copying build/lib/ase/ga/multiprocessingrun.py -> build/bdist.linux-i686/wheel/./ase/ga +copying build/lib/ase/ga/bulk_startgenerator.py -> build/bdist.linux-i686/wheel/./ase/ga +copying build/lib/ase/ga/relax_attaches.py -> build/bdist.linux-i686/wheel/./ase/ga +copying build/lib/ase/ga/cutandsplicepairing.py -> build/bdist.linux-i686/wheel/./ase/ga +copying build/lib/ase/ga/bulk_utilities.py -> build/bdist.linux-i686/wheel/./ase/ga +copying build/lib/ase/ga/parallellocalrun.py -> build/bdist.linux-i686/wheel/./ase/ga +copying build/lib/ase/ga/bulk_crossovers.py -> build/bdist.linux-i686/wheel/./ase/ga +copying build/lib/ase/ga/utilities.py -> build/bdist.linux-i686/wheel/./ase/ga +copying build/lib/ase/ga/startgenerator.py -> build/bdist.linux-i686/wheel/./ase/ga +copying build/lib/ase/ga/element_crossovers.py -> build/bdist.linux-i686/wheel/./ase/ga +copying build/lib/ase/ga/soft_mutation.py -> build/bdist.linux-i686/wheel/./ase/ga +copying build/lib/ase/ga/bulk_mutations.py -> build/bdist.linux-i686/wheel/./ase/ga +copying build/lib/ase/ga/__init__.py -> build/bdist.linux-i686/wheel/./ase/ga +copying build/lib/ase/ga/convergence.py -> build/bdist.linux-i686/wheel/./ase/ga +copying build/lib/ase/ga/pbs_queue_run.py -> build/bdist.linux-i686/wheel/./ase/ga +copying build/lib/ase/ga/offspring_creator.py -> build/bdist.linux-i686/wheel/./ase/ga +copying build/lib/ase/ga/standard_comparators.py -> build/bdist.linux-i686/wheel/./ase/ga +copying build/lib/ase/ga/ofp_comparator.py -> build/bdist.linux-i686/wheel/./ase/ga +copying build/lib/ase/cell.py -> build/bdist.linux-i686/wheel/./ase +copying build/lib/ase/neighborlist.py -> build/bdist.linux-i686/wheel/./ase +copying build/lib/ase/__init__.py -> build/bdist.linux-i686/wheel/./ase creating build/bdist.linux-i686/wheel/ase/dft copying build/lib/ase/dft/pars_mbeefvdw.py -> build/bdist.linux-i686/wheel/./ase/dft +copying build/lib/ase/dft/pars_beefvdw.py -> build/bdist.linux-i686/wheel/./ase/dft copying build/lib/ase/dft/wannier.py -> build/bdist.linux-i686/wheel/./ase/dft -copying build/lib/ase/dft/bee.py -> build/bdist.linux-i686/wheel/./ase/dft copying build/lib/ase/dft/bandgap.py -> build/bdist.linux-i686/wheel/./ase/dft -copying build/lib/ase/dft/bz.py -> build/bdist.linux-i686/wheel/./ase/dft -copying build/lib/ase/dft/pars_mbeef.py -> build/bdist.linux-i686/wheel/./ase/dft +copying build/lib/ase/dft/band_structure.py -> build/bdist.linux-i686/wheel/./ase/dft +copying build/lib/ase/dft/stm.py -> build/bdist.linux-i686/wheel/./ase/dft copying build/lib/ase/dft/dos.py -> build/bdist.linux-i686/wheel/./ase/dft -copying build/lib/ase/dft/__init__.py -> build/bdist.linux-i686/wheel/./ase/dft copying build/lib/ase/dft/kpoints.py -> build/bdist.linux-i686/wheel/./ase/dft +copying build/lib/ase/dft/pars_mbeef.py -> build/bdist.linux-i686/wheel/./ase/dft +copying build/lib/ase/dft/__init__.py -> build/bdist.linux-i686/wheel/./ase/dft +copying build/lib/ase/dft/bee.py -> build/bdist.linux-i686/wheel/./ase/dft copying build/lib/ase/dft/wannierstate.py -> build/bdist.linux-i686/wheel/./ase/dft -copying build/lib/ase/dft/stm.py -> build/bdist.linux-i686/wheel/./ase/dft -copying build/lib/ase/dft/pars_beefvdw.py -> build/bdist.linux-i686/wheel/./ase/dft -copying build/lib/ase/dft/band_structure.py -> build/bdist.linux-i686/wheel/./ase/dft +copying build/lib/ase/dft/bz.py -> build/bdist.linux-i686/wheel/./ase/dft +copying build/lib/ase/thermochemistry.py -> build/bdist.linux-i686/wheel/./ase +copying build/lib/ase/eos.py -> build/bdist.linux-i686/wheel/./ase copying build/lib/ase/neb.py -> build/bdist.linux-i686/wheel/./ase -creating build/bdist.linux-i686/wheel/ase/vibrations -copying build/lib/ase/vibrations/raman.py -> build/bdist.linux-i686/wheel/./ase/vibrations -copying build/lib/ase/vibrations/pickle2json.py -> build/bdist.linux-i686/wheel/./ase/vibrations -copying build/lib/ase/vibrations/franck_condon.py -> build/bdist.linux-i686/wheel/./ase/vibrations -copying build/lib/ase/vibrations/resonant_raman.py -> build/bdist.linux-i686/wheel/./ase/vibrations -copying build/lib/ase/vibrations/data.py -> build/bdist.linux-i686/wheel/./ase/vibrations -copying build/lib/ase/vibrations/__init__.py -> build/bdist.linux-i686/wheel/./ase/vibrations -copying build/lib/ase/vibrations/vibrations.py -> build/bdist.linux-i686/wheel/./ase/vibrations -copying build/lib/ase/vibrations/albrecht.py -> build/bdist.linux-i686/wheel/./ase/vibrations -copying build/lib/ase/vibrations/placzek.py -> build/bdist.linux-i686/wheel/./ase/vibrations -copying build/lib/ase/vibrations/infrared.py -> build/bdist.linux-i686/wheel/./ase/vibrations +creating build/bdist.linux-i686/wheel/ase/io +copying build/lib/ase/io/pickletrajectory.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/vasp.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/cp2k.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/xtd.py -> build/bdist.linux-i686/wheel/./ase/io +creating build/bdist.linux-i686/wheel/ase/io/nwchem +copying build/lib/ase/io/nwchem/nwreader.py -> build/bdist.linux-i686/wheel/./ase/io/nwchem +copying build/lib/ase/io/nwchem/nwreader_in.py -> build/bdist.linux-i686/wheel/./ase/io/nwchem +copying build/lib/ase/io/nwchem/nwwriter.py -> build/bdist.linux-i686/wheel/./ase/io/nwchem +copying build/lib/ase/io/nwchem/__init__.py -> build/bdist.linux-i686/wheel/./ase/io/nwchem +copying build/lib/ase/io/nwchem/parser.py -> build/bdist.linux-i686/wheel/./ase/io/nwchem +copying build/lib/ase/io/extxyz.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/findsym.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/ulm.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/wien2k.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/turbomole.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/jsonio.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/gpaw_out.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/aff.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/cif_unicode.py -> build/bdist.linux-i686/wheel/./ase/io +creating build/bdist.linux-i686/wheel/ase/io/castep +copying build/lib/ase/io/castep/castep_reader.py -> build/bdist.linux-i686/wheel/./ase/io/castep +copying build/lib/ase/io/castep/castep_input_file.py -> build/bdist.linux-i686/wheel/./ase/io/castep +copying build/lib/ase/io/castep/__init__.py -> build/bdist.linux-i686/wheel/./ase/io/castep +copying build/lib/ase/io/png.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/onetep.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/mol.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/opls.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/gamess_us.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/bytes.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/proteindatabank.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/xsf.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/acemolecule.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/lammpsrun.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/pov.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/trajectory.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/nomad_json.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/dlp4.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/bundlemanipulate.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/lammpsdata.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/cube.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/cjson.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/db.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/res.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/siesta_input.py -> build/bdist.linux-i686/wheel/./ase/io +creating build/bdist.linux-i686/wheel/ase/io/octopus +copying build/lib/ase/io/octopus/output.py -> build/bdist.linux-i686/wheel/./ase/io/octopus +copying build/lib/ase/io/octopus/input.py -> build/bdist.linux-i686/wheel/./ase/io/octopus +copying build/lib/ase/io/octopus/__init__.py -> build/bdist.linux-i686/wheel/./ase/io/octopus +copying build/lib/ase/io/cif.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/aims.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/cfg.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/eps.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/gen.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/gromos.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/bader.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/eon.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/gpumd.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/prismatic.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/bundletrajectory.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/vtkxml.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/sdf.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/xyz.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/siesta_output.py -> build/bdist.linux-i686/wheel/./ase/io +creating build/bdist.linux-i686/wheel/ase/io/espresso_namelist +copying build/lib/ase/io/espresso_namelist/keys.py -> build/bdist.linux-i686/wheel/./ase/io/espresso_namelist +copying build/lib/ase/io/espresso_namelist/namelist.py -> build/bdist.linux-i686/wheel/./ase/io/espresso_namelist +copying build/lib/ase/io/espresso_namelist/__init__.py -> build/bdist.linux-i686/wheel/./ase/io/espresso_namelist +copying build/lib/ase/io/dftb.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/gromacs.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/netcdftrajectory.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/jsv.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/zmatrix.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/orca.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/dmol.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/sys.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/exciting.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/animation.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/qbox.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/wannier90.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/magres.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/v_sim.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/abinit.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/rmc6f.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/cmdft.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/mustem.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/x3d.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/__init__.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/utils.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/gpw.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/siesta.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/dacapo.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/xsd.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/crystal.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/amber.py -> build/bdist.linux-i686/wheel/./ase/io +creating build/bdist.linux-i686/wheel/ase/io/vasp_parsers +copying build/lib/ase/io/vasp_parsers/incar_writer.py -> build/bdist.linux-i686/wheel/./ase/io/vasp_parsers +copying build/lib/ase/io/vasp_parsers/vasp_outcar_parsers.py -> build/bdist.linux-i686/wheel/./ase/io/vasp_parsers +copying build/lib/ase/io/vasp_parsers/__init__.py -> build/bdist.linux-i686/wheel/./ase/io/vasp_parsers +copying build/lib/ase/io/py.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/espresso.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/gaussian.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/formats.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/io/elk.py -> build/bdist.linux-i686/wheel/./ase/io +copying build/lib/ase/atoms.py -> build/bdist.linux-i686/wheel/./ase +copying build/lib/ase/autoneb.py -> build/bdist.linux-i686/wheel/./ase +copying build/lib/ase/codes.py -> build/bdist.linux-i686/wheel/./ase +creating build/bdist.linux-i686/wheel/ase/visualize +copying build/lib/ase/visualize/plot.py -> build/bdist.linux-i686/wheel/./ase/visualize +copying build/lib/ase/visualize/ngl.py -> build/bdist.linux-i686/wheel/./ase/visualize +copying build/lib/ase/visualize/paraview_script.py -> build/bdist.linux-i686/wheel/./ase/visualize +copying build/lib/ase/visualize/sage.py -> build/bdist.linux-i686/wheel/./ase/visualize +copying build/lib/ase/visualize/mlab.py -> build/bdist.linux-i686/wheel/./ase/visualize +copying build/lib/ase/visualize/x3d.py -> build/bdist.linux-i686/wheel/./ase/visualize +copying build/lib/ase/visualize/__init__.py -> build/bdist.linux-i686/wheel/./ase/visualize +copying build/lib/ase/visualize/viewers.py -> build/bdist.linux-i686/wheel/./ase/visualize +copying build/lib/ase/dependencies.py -> build/bdist.linux-i686/wheel/./ase running install_egg_info Copying ase.egg-info to build/bdist.linux-i686/wheel/./ase-3.24.0.egg-info running install_scripts creating build/bdist.linux-i686/wheel/ase-3.24.0.dist-info/WHEEL -creating '/build/reproducible-path/python-ase-3.24.0/.pybuild/cpython3_3.13_ase/.tmp-7vpu9jw2/ase-3.24.0-py3-none-any.whl' and adding 'build/bdist.linux-i686/wheel' to it +creating '/build/reproducible-path/python-ase-3.24.0/.pybuild/cpython3_3.13_ase/.tmp-eiy2dr3n/ase-3.24.0-py3-none-any.whl' and adding 'build/bdist.linux-i686/wheel' to it adding 'ase/__init__.py' adding 'ase/__main__.py' adding 'ase/atom.py' @@ -5806,40 +5842,40 @@ Datafiles: ase-datafiles package not installed [ ] abinit not installed: 'abinit' - [ ] ace cfg= + [ ] ace cfg= [ ] aims not installed: 'aims' - [ ] amber cfg= + [ ] amber cfg= [ ] asap not installed: asap3 [ ] castep not installed: 'castep' [ ] cp2k not installed: 'cp2k' - [ ] crystal cfg= - [ ] demon cfg= - [ ] demonnano cfg= + [ ] crystal cfg= + [ ] demon cfg= + [ ] demonnano cfg= [ ] dftb not installed: No 'dftb' section [ ] dftd3 not installed: 'dftd3' - [ ] dmol cfg= + [ ] dmol cfg= [ ] elk not installed: No 'elk' section [ ] espresso not installed: 'espresso' [ ] exciting not installed: 'exciting' - [ ] gamess_us cfg= - [ ] gaussian cfg= + [ ] gamess_us cfg= + [ ] gaussian cfg= [ ] gpaw not installed: gpaw [ ] gromacs not installed: 'gromacs' - [ ] gulp cfg= - [ ] hotbit cfg= + [ ] gulp cfg= + [ ] hotbit cfg= [ ] lammpslib not installed: missing python wrappers: cannot import lammps [ ] lammpsrun not installed: 'lammps' [ ] mopac not installed: No 'mopac' section [ ] nwchem not installed: No 'nwchem' section [ ] octopus not installed: 'octopus' - [ ] onetep cfg= + [ ] onetep cfg= [ ] openmx not installed: 'openmx' [ ] orca not installed: 'orca' [ ] plumed not installed: [ ] psi4 not installed: psi4 - [ ] qchem cfg= + [ ] qchem cfg= [ ] siesta not installed: No 'siesta' section - [ ] turbomole cfg= + [ ] turbomole cfg= [ ] vasp not installed: 'vasp' * Use --calculators option to select calculators. @@ -5854,7 +5890,7 @@ rootdir: /build/reproducible-path/python-ase-3.24.0/.pybuild/cpython3_3.13_ase/build/ase/test configfile: pytest.ini -plugins: mock-3.14.0, typeguard-4.4.2 +plugins: typeguard-4.4.2, mock-3.14.0 collected 3479 items / 1 deselected / 2 skipped / 3478 selected atoms/test_atom.py .. [ 0%] @@ -6438,32 +6474,30 @@ See https://docs.pytest.org/en/stable/how-to/capture-warnings.html#resource-warnings for more info. db/test_mysql.py::test_update - /usr/lib/python3/dist-packages/_pytest/_code/code.py:198: ResourceWarning: unclosed database in - def __init__( + /usr/lib/python3/dist-packages/_pytest/unraisableexception.py:50: ResourceWarning: unclosed database in + def __enter__(self) -> Self: Enable tracemalloc to get traceback where the object was allocated. See https://docs.pytest.org/en/stable/how-to/capture-warnings.html#resource-warnings for more info. db/test_mysql.py::test_update - /usr/lib/python3/dist-packages/_pytest/_code/code.py:198: ResourceWarning: unclosed database in - def __init__( + /usr/lib/python3/dist-packages/_pytest/unraisableexception.py:50: ResourceWarning: unclosed database in + def __enter__(self) -> Self: Enable tracemalloc to get traceback where the object was allocated. See https://docs.pytest.org/en/stable/how-to/capture-warnings.html#resource-warnings for more info. db/test_mysql.py::test_update - /usr/lib/python3/dist-packages/_pytest/_code/code.py:198: ResourceWarning: unclosed database in - def __init__( + /usr/lib/python3/dist-packages/_pytest/unraisableexception.py:50: ResourceWarning: unclosed database in + def __enter__(self) -> Self: Enable tracemalloc to get traceback where the object was allocated. See https://docs.pytest.org/en/stable/how-to/capture-warnings.html#resource-warnings for more info. fio/test_oi.py::test_ioformat[eps] - /usr/lib/python3.13/inspect.py:3061: ResourceWarning: unclosed database in - params = OrderedDict((param.name, param) for param in parameters) + :456: ResourceWarning: unclosed database in Enable tracemalloc to get traceback where the object was allocated. See https://docs.pytest.org/en/stable/how-to/capture-warnings.html#resource-warnings for more info. fio/test_oi.py::test_ioformat[eps] - /usr/lib/python3.13/inspect.py:3061: ResourceWarning: unclosed database in - params = OrderedDict((param.name, param) for param in parameters) + :456: ResourceWarning: unclosed database in Enable tracemalloc to get traceback where the object was allocated. See https://docs.pytest.org/en/stable/how-to/capture-warnings.html#resource-warnings for more info. @@ -6474,43 +6508,43 @@ See https://docs.pytest.org/en/stable/how-to/capture-warnings.html#resource-warnings for more info. ga/test_basic_example_main_run.py::test_basic_example_main_run[0] - /usr/lib/python3.13/functools.py:504: ResourceWarning: unclosed database in + /usr/lib/python3.13/functools.py:504: ResourceWarning: unclosed database in def lru_cache(maxsize=128, typed=False): Enable tracemalloc to get traceback where the object was allocated. See https://docs.pytest.org/en/stable/how-to/capture-warnings.html#resource-warnings for more info. ga/test_basic_example_main_run.py::test_basic_example_main_run[0] - /usr/lib/python3.13/functools.py:504: ResourceWarning: unclosed database in + /usr/lib/python3.13/functools.py:504: ResourceWarning: unclosed database in def lru_cache(maxsize=128, typed=False): Enable tracemalloc to get traceback where the object was allocated. See https://docs.pytest.org/en/stable/how-to/capture-warnings.html#resource-warnings for more info. ga/test_basic_example_main_run.py::test_basic_example_main_run[0] - /usr/lib/python3.13/functools.py:504: ResourceWarning: unclosed database in + /usr/lib/python3.13/functools.py:504: ResourceWarning: unclosed database in def lru_cache(maxsize=128, typed=False): Enable tracemalloc to get traceback where the object was allocated. See https://docs.pytest.org/en/stable/how-to/capture-warnings.html#resource-warnings for more info. ga/test_basic_example_main_run.py::test_basic_example_main_run[0] - /usr/lib/python3.13/functools.py:504: ResourceWarning: unclosed database in + /usr/lib/python3.13/functools.py:504: ResourceWarning: unclosed database in def lru_cache(maxsize=128, typed=False): Enable tracemalloc to get traceback where the object was allocated. See https://docs.pytest.org/en/stable/how-to/capture-warnings.html#resource-warnings for more info. ga/test_basic_example_main_run.py::test_basic_example_main_run[0] - /usr/lib/python3.13/functools.py:504: ResourceWarning: unclosed database in + /usr/lib/python3.13/functools.py:504: ResourceWarning: unclosed database in def lru_cache(maxsize=128, typed=False): Enable tracemalloc to get traceback where the object was allocated. See https://docs.pytest.org/en/stable/how-to/capture-warnings.html#resource-warnings for more info. ga/test_basic_example_main_run.py::test_basic_example_main_run[0] - /usr/lib/python3.13/functools.py:504: ResourceWarning: unclosed database in + /usr/lib/python3.13/functools.py:504: ResourceWarning: unclosed database in def lru_cache(maxsize=128, typed=False): Enable tracemalloc to get traceback where the object was allocated. See https://docs.pytest.org/en/stable/how-to/capture-warnings.html#resource-warnings for more info. ga/test_basic_example_main_run.py::test_basic_example_main_run[0] - /usr/lib/python3.13/functools.py:504: ResourceWarning: unclosed database in + /usr/lib/python3.13/functools.py:504: ResourceWarning: unclosed database in def lru_cache(maxsize=128, typed=False): Enable tracemalloc to get traceback where the object was allocated. See https://docs.pytest.org/en/stable/how-to/capture-warnings.html#resource-warnings for more info. @@ -6522,7 +6556,7 @@ See https://docs.pytest.org/en/stable/how-to/capture-warnings.html#resource-warnings for more info. geometry/test_analysis.py::test_analysis - /usr/lib/python3/dist-packages/scipy/sparse/_coo.py:164: ResourceWarning: unclosed database in + /usr/lib/python3/dist-packages/scipy/sparse/_coo.py:164: ResourceWarning: unclosed database in if any(len(idx) != nnz for idx in self.coords): Enable tracemalloc to get traceback where the object was allocated. See https://docs.pytest.org/en/stable/how-to/capture-warnings.html#resource-warnings for more info. @@ -6534,13 +6568,13 @@ See https://docs.pytest.org/en/stable/how-to/capture-warnings.html#resource-warnings for more info. test_matplotlib_plot.py::test_matplotlib_plot - /usr/lib/python3/dist-packages/matplotlib/transforms.py:197: ResourceWarning: unclosed file <_io.BufferedWriter name='fragile_BFGSLineSearch.traj'> - ref = weakref.ref( + /usr/lib/python3/dist-packages/numpy/lib/_function_base_impl.py:2487: ResourceWarning: unclosed file <_io.BufferedWriter name='fragile_BFGSLineSearch.traj'> + def _call_as_normal(self, *args, **kwargs): Enable tracemalloc to get traceback where the object was allocated. See https://docs.pytest.org/en/stable/how-to/capture-warnings.html#resource-warnings for more info. -- Docs: https://docs.pytest.org/en/stable/how-to/capture-warnings.html -= 2914 passed, 540 skipped, 1 deselected, 26 xfailed, 20 warnings in 384.90s (0:06:24) = += 2914 passed, 540 skipped, 1 deselected, 26 xfailed, 20 warnings in 655.50s (0:10:55) = :0: DeprecationWarning: builtin type swigvarlink has no __module__ attribute make[1]: Leaving directory '/build/reproducible-path/python-ase-3.24.0' create-stamp debian/debhelper-build-stamp @@ -6581,7 +6615,7 @@ PATH=/build/reproducible-path/python-ase-3.24.0/bin:${PATH} PYTHONPATH=/build/reproducible-path/python-ase-3.24.0/doc:/build/reproducible-path/python-ase-3.24.0 MPLBACKEND=Agg python3 -m sphinx -b html doc debian/python-ase-doc/usr/share/doc/python-ase-doc/html Running Sphinx v8.1.3 loading translations [en]... done -Matplotlib created a temporary cache directory at /tmp/matplotlib-bb2b4rl9 because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +Matplotlib created a temporary cache directory at /tmp/matplotlib-kc16f7uf because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. running: ./doc/ase/atoms.py ./doc/ase Au-wire.png running: ./doc/ase/formats.py @@ -6591,63 +6625,63 @@ running: ./doc/ase/plot_radii.py ./doc/ase atomic_radii.png running: ./doc/ase/precon.py -PreconLBFGS: 0 19:50:31 11.881544 5.0770 -PreconLBFGS: 1 19:50:31 9.721479 3.9439 -PreconLBFGS: 2 19:50:31 8.763736 4.8036 -PreconLBFGS: 3 19:50:31 7.844821 3.7443 -PreconLBFGS: 4 19:50:31 6.983034 4.0077 -PreconLBFGS: 5 19:50:31 6.241838 3.4906 -PreconLBFGS: 6 19:50:31 5.431719 3.4055 -PreconLBFGS: 7 19:50:31 4.618000 3.0392 -PreconLBFGS: 8 19:50:31 3.870055 2.6555 -PreconLBFGS: 9 19:50:31 3.227248 2.3331 -PreconLBFGS: 10 19:50:31 2.530719 2.0596 -PreconLBFGS: 11 19:50:31 2.033757 1.7769 -PreconLBFGS: 12 19:50:31 1.512731 1.4761 -PreconLBFGS: 13 19:50:31 1.149587 1.1205 -PreconLBFGS: 14 19:50:31 0.914239 0.8209 -PreconLBFGS: 15 19:50:31 0.788020 0.5450 -PreconLBFGS: 16 19:50:31 0.714341 0.3851 -PreconLBFGS: 17 19:50:31 0.674602 0.2785 -PreconLBFGS: 18 19:50:31 0.652484 0.2171 -PreconLBFGS: 19 19:50:31 0.643906 0.1797 -PreconLBFGS: 20 19:50:31 0.640309 0.1501 -PreconLBFGS: 21 19:50:31 0.638003 0.1324 -PreconLBFGS: 22 19:50:31 0.636776 0.1094 -PreconLBFGS: 23 19:50:31 0.635986 0.0850 -PreconLBFGS: 24 19:50:31 0.635433 0.0522 -PreconLBFGS: 25 19:50:31 0.634973 0.0305 -PreconLBFGS: 26 19:50:31 0.634716 0.0193 -PreconLBFGS: 27 19:50:31 0.634592 0.0132 -PreconLBFGS: 28 19:50:31 0.634522 0.0112 -PreconLBFGS: 29 19:50:32 0.634486 0.0089 -PreconLBFGS: 30 19:50:32 0.634470 0.0083 -PreconLBFGS: 31 19:50:32 0.634462 0.0072 -PreconLBFGS: 32 19:50:32 0.634456 0.0050 -PreconLBFGS: 33 19:50:32 0.634452 0.0030 -PreconLBFGS: 34 19:50:32 0.634449 0.0017 -PreconLBFGS: 35 19:50:32 0.634448 0.0013 -PreconLBFGS: 36 19:50:32 0.634447 0.0009 -PreconLBFGS: 0 19:50:32 11.881544 5.0770 -PreconLBFGS: 1 19:50:32 9.794004 4.0022 -PreconLBFGS: 2 19:50:32 7.255200 3.4746 -PreconLBFGS: 3 19:50:32 5.540273 2.7637 -PreconLBFGS: 4 19:50:32 4.030393 2.2824 -PreconLBFGS: 5 19:50:32 2.861759 1.7993 -PreconLBFGS: 6 19:50:32 1.960588 1.3805 -PreconLBFGS: 7 19:50:32 1.319087 0.9972 -PreconLBFGS: 8 19:50:32 0.913600 0.6490 -PreconLBFGS: 9 19:50:32 0.661975 0.1417 -PreconLBFGS: 10 19:50:32 0.649358 0.0762 -PreconLBFGS: 11 19:50:32 0.637452 0.0305 -PreconLBFGS: 12 19:50:32 0.636014 0.0233 -PreconLBFGS: 13 19:50:32 0.635005 0.0150 -PreconLBFGS: 14 19:50:32 0.634698 0.0076 -PreconLBFGS: 15 19:50:32 0.634546 0.0033 -PreconLBFGS: 16 19:50:32 0.634482 0.0026 -PreconLBFGS: 17 19:50:32 0.634461 0.0020 -PreconLBFGS: 18 19:50:32 0.634453 0.0012 -PreconLBFGS: 19 19:50:32 0.634449 0.0009 +PreconLBFGS: 0 15:47:40 11.881544 5.0770 +PreconLBFGS: 1 15:47:40 9.721479 3.9439 +PreconLBFGS: 2 15:47:40 8.763736 4.8036 +PreconLBFGS: 3 15:47:40 7.844821 3.7443 +PreconLBFGS: 4 15:47:40 6.983034 4.0077 +PreconLBFGS: 5 15:47:40 6.241838 3.4906 +PreconLBFGS: 6 15:47:40 5.431719 3.4055 +PreconLBFGS: 7 15:47:40 4.618000 3.0392 +PreconLBFGS: 8 15:47:40 3.870055 2.6555 +PreconLBFGS: 9 15:47:40 3.227248 2.3331 +PreconLBFGS: 10 15:47:40 2.530719 2.0596 +PreconLBFGS: 11 15:47:40 2.033757 1.7769 +PreconLBFGS: 12 15:47:40 1.512731 1.4761 +PreconLBFGS: 13 15:47:40 1.149587 1.1205 +PreconLBFGS: 14 15:47:41 0.914239 0.8209 +PreconLBFGS: 15 15:47:41 0.788020 0.5450 +PreconLBFGS: 16 15:47:41 0.714341 0.3851 +PreconLBFGS: 17 15:47:41 0.674602 0.2785 +PreconLBFGS: 18 15:47:41 0.652484 0.2171 +PreconLBFGS: 19 15:47:41 0.643906 0.1797 +PreconLBFGS: 20 15:47:41 0.640309 0.1501 +PreconLBFGS: 21 15:47:41 0.638003 0.1324 +PreconLBFGS: 22 15:47:41 0.636776 0.1094 +PreconLBFGS: 23 15:47:41 0.635986 0.0850 +PreconLBFGS: 24 15:47:41 0.635433 0.0522 +PreconLBFGS: 25 15:47:41 0.634973 0.0305 +PreconLBFGS: 26 15:47:42 0.634716 0.0193 +PreconLBFGS: 27 15:47:42 0.634592 0.0132 +PreconLBFGS: 28 15:47:42 0.634522 0.0112 +PreconLBFGS: 29 15:47:42 0.634486 0.0089 +PreconLBFGS: 30 15:47:42 0.634470 0.0083 +PreconLBFGS: 31 15:47:42 0.634462 0.0072 +PreconLBFGS: 32 15:47:42 0.634456 0.0050 +PreconLBFGS: 33 15:47:42 0.634452 0.0030 +PreconLBFGS: 34 15:47:42 0.634449 0.0017 +PreconLBFGS: 35 15:47:42 0.634448 0.0013 +PreconLBFGS: 36 15:47:42 0.634447 0.0009 +PreconLBFGS: 0 15:47:43 11.881544 5.0770 +PreconLBFGS: 1 15:47:43 9.794004 4.0022 +PreconLBFGS: 2 15:47:43 7.255200 3.4746 +PreconLBFGS: 3 15:47:43 5.540273 2.7637 +PreconLBFGS: 4 15:47:43 4.030393 2.2824 +PreconLBFGS: 5 15:47:43 2.861759 1.7993 +PreconLBFGS: 6 15:47:43 1.960588 1.3805 +PreconLBFGS: 7 15:47:43 1.319087 0.9972 +PreconLBFGS: 8 15:47:43 0.913600 0.6490 +PreconLBFGS: 9 15:47:43 0.661975 0.1417 +PreconLBFGS: 10 15:47:43 0.649358 0.0762 +PreconLBFGS: 11 15:47:43 0.637452 0.0305 +PreconLBFGS: 12 15:47:43 0.636014 0.0233 +PreconLBFGS: 13 15:47:44 0.635005 0.0150 +PreconLBFGS: 14 15:47:44 0.634698 0.0076 +PreconLBFGS: 15 15:47:44 0.634546 0.0033 +PreconLBFGS: 16 15:47:44 0.634482 0.0026 +PreconLBFGS: 17 15:47:44 0.634461 0.0020 +PreconLBFGS: 18 15:47:44 0.634453 0.0012 +PreconLBFGS: 19 15:47:44 0.634449 0.0009 ./doc/ase precon.png running: ./doc/ase/xrdebye.py ./doc/ase saxs.png @@ -6765,23 +6799,23 @@ ./doc/ase/cluster truncated.png running: ./doc/ase/db/db.py Step Time Energy fmax -BFGS: 0 19:50:58 1.419426 9.802896 -BFGS: 1 19:50:58 2.139894 7.932239 -BFGS: 2 19:50:58 1.280719 4.990243 -BFGS: 3 19:50:58 2.298637 21.460333 -BFGS: 4 19:50:58 1.122419 2.768433 -BFGS: 5 19:50:58 1.081517 1.343938 -BFGS: 6 19:50:58 1.070848 0.236320 -BFGS: 7 19:50:58 1.070543 0.015684 -BFGS: 8 19:50:58 1.070541 0.000166 +BFGS: 0 15:48:34 1.419426 9.802896 +BFGS: 1 15:48:34 2.139894 7.932239 +BFGS: 2 15:48:34 1.280719 4.990243 +BFGS: 3 15:48:34 2.298637 21.460333 +BFGS: 4 15:48:34 1.122419 2.768433 +BFGS: 5 15:48:34 1.081517 1.343938 +BFGS: 6 15:48:34 1.070848 0.236320 +BFGS: 7 15:48:34 1.070543 0.015684 +BFGS: 8 15:48:34 1.070541 0.000166 /build/reproducible-path/python-ase-3.24.0/doc/ase/thermochemistry/gold.py:24: FutureWarning: Please use Phonons.get_dos() instead of Phonons.dos(). phonon_energies, phonon_DOS = ph.dos(kpts=(40, 40, 40), npts=3000, relaxed : True id : 2 -unique_id : 632798857429a7d4ad95fdccbbaf2683 -ctime : 26.276163533620327 -mtime : 26.276163533620327 -user : pbuilder1 +unique_id : e46b69e945320e0aebf5665a2f51bce1 +ctime : 25.185809895054785 +mtime : 25.185809895054785 +user : pbuilder2 numbers : [1 1] positions : [[-7.87791302e-18 3.13479778e-17 -3.95240142e-02] [ 1.64009333e-18 2.79256689e-19 7.39524014e-01]] @@ -6923,9 +6957,9 @@ ./doc/gallery sqs_cell.png running: ./doc/gettingstarted/surface.py Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 19:52:19 11.689927 1.0797 -BFGSLineSearch: 1[ 2] 19:52:19 11.670814 0.4090 -BFGSLineSearch: 2[ 4] 19:52:19 11.625880 0.0409 +BFGSLineSearch: 0[ 0] 15:51:34 11.689927 1.0797 +BFGSLineSearch: 1[ 2] 15:51:34 11.670814 0.4090 +BFGSLineSearch: 2[ 4] 15:51:35 11.625880 0.0409 Adsorption energy: 0.32351942231763964 ./doc/gettingstarted surface.png running: ./doc/gettingstarted/manipulating_atoms/interface-h2o.py @@ -6955,119 +6989,119 @@ [ True True False False True True False False True True False False True True False False False] Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 19:52:22 4.639215 0.2538 -BFGSLineSearch: 1[ 2] 19:52:22 4.622063 0.1580 -BFGSLineSearch: 2[ 4] 19:52:22 4.613340 0.0622 -BFGSLineSearch: 3[ 5] 19:52:22 4.611640 0.0336 +BFGSLineSearch: 0[ 0] 15:51:40 4.639215 0.2538 +BFGSLineSearch: 1[ 2] 15:51:40 4.622063 0.1580 +BFGSLineSearch: 2[ 4] 15:51:40 4.613340 0.0622 +BFGSLineSearch: 3[ 5] 15:51:40 4.611640 0.0336 Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 19:52:22 4.639215 0.2538 -BFGSLineSearch: 1[ 2] 19:52:22 4.622063 0.1580 -BFGSLineSearch: 2[ 4] 19:52:22 4.613340 0.0622 -BFGSLineSearch: 3[ 5] 19:52:22 4.611640 0.0336 +BFGSLineSearch: 0[ 0] 15:51:40 4.639215 0.2538 +BFGSLineSearch: 1[ 2] 15:51:40 4.622063 0.1580 +BFGSLineSearch: 2[ 4] 15:51:40 4.613340 0.0622 +BFGSLineSearch: 3[ 5] 15:51:40 4.611640 0.0336 Step Time Energy fmax -MDMin: 0 19:52:22 4.969997 1.013167 -MDMin: 1 19:52:22 4.922173 0.852585 -MDMin: 2 19:52:22 4.833353 0.471496 -MDMin: 3 19:52:23 4.783147 0.144529 -MDMin: 4 19:52:23 4.762840 0.108253 -MDMin: 5 19:52:23 4.748802 0.124316 -MDMin: 6 19:52:23 4.738339 0.112472 -MDMin: 7 19:52:23 4.734398 0.137277 -MDMin: 8 19:52:23 4.733206 0.129119 -MDMin: 9 19:52:23 4.730681 0.106635 -MDMin: 10 19:52:23 4.728545 0.079630 -MDMin: 11 19:52:23 4.726697 0.067014 -MDMin: 12 19:52:23 4.724795 0.055330 -MDMin: 13 19:52:23 4.723081 0.039372 +MDMin: 0 15:51:40 4.969997 1.013167 +MDMin: 1 15:51:40 4.922173 0.852585 +MDMin: 2 15:51:40 4.833353 0.471496 +MDMin: 3 15:51:40 4.783147 0.144529 +MDMin: 4 15:51:40 4.762840 0.108253 +MDMin: 5 15:51:40 4.748802 0.124316 +MDMin: 6 15:51:40 4.738339 0.112472 +MDMin: 7 15:51:40 4.734398 0.137277 +MDMin: 8 15:51:40 4.733206 0.129119 +MDMin: 9 15:51:40 4.730681 0.106635 +MDMin: 10 15:51:40 4.728545 0.079630 +MDMin: 11 15:51:40 4.726697 0.067014 +MDMin: 12 15:51:41 4.724795 0.055330 +MDMin: 13 15:51:41 4.723081 0.039372 [ True True False False True True False False True True False False True True False False False] Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 19:52:23 4.639215 0.2538 -BFGSLineSearch: 1[ 2] 19:52:23 4.622063 0.1580 -BFGSLineSearch: 2[ 4] 19:52:23 4.613340 0.0622 -BFGSLineSearch: 3[ 5] 19:52:23 4.611640 0.0336 +BFGSLineSearch: 0[ 0] 15:51:41 4.639215 0.2538 +BFGSLineSearch: 1[ 2] 15:51:41 4.622063 0.1580 +BFGSLineSearch: 2[ 4] 15:51:41 4.613340 0.0622 +BFGSLineSearch: 3[ 5] 15:51:41 4.611640 0.0336 Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 19:52:23 4.639215 0.2538 -BFGSLineSearch: 1[ 2] 19:52:23 4.622063 0.1580 -BFGSLineSearch: 2[ 4] 19:52:23 4.613340 0.0622 -BFGSLineSearch: 3[ 5] 19:52:23 4.611640 0.0336 +BFGSLineSearch: 0[ 0] 15:51:41 4.639215 0.2538 +BFGSLineSearch: 1[ 2] 15:51:41 4.622063 0.1580 +BFGSLineSearch: 2[ 4] 15:51:41 4.613340 0.0622 +BFGSLineSearch: 3[ 5] 15:51:41 4.611640 0.0336 Step Time Energy fmax -MDMin: 0 19:52:23 7.907337 7.446816 -MDMin: 1 19:52:23 6.168331 3.684232 -MDMin: 2 19:52:23 5.448313 0.969267 -MDMin: 3 19:52:23 5.248040 0.433781 -MDMin: 4 19:52:23 5.244261 0.367859 -MDMin: 5 19:52:23 5.233889 0.261533 -MDMin: 6 19:52:23 5.217233 0.238669 -MDMin: 7 19:52:23 5.202457 0.172860 -MDMin: 8 19:52:23 5.189948 0.131786 -MDMin: 9 19:52:23 5.181586 0.103072 -MDMin: 10 19:52:23 5.178987 0.114548 -MDMin: 11 19:52:23 5.178819 0.101284 -MDMin: 12 19:52:23 5.178339 0.067445 -MDMin: 13 19:52:23 5.177568 0.051243 -MDMin: 14 19:52:23 5.176716 0.043470 +MDMin: 0 15:51:41 7.907337 7.446816 +MDMin: 1 15:51:41 6.168331 3.684232 +MDMin: 2 15:51:41 5.448313 0.969267 +MDMin: 3 15:51:41 5.248040 0.433781 +MDMin: 4 15:51:41 5.244261 0.367859 +MDMin: 5 15:51:41 5.233889 0.261533 +MDMin: 6 15:51:41 5.217233 0.238669 +MDMin: 7 15:51:41 5.202457 0.172860 +MDMin: 8 15:51:41 5.189948 0.131786 +MDMin: 9 15:51:41 5.181586 0.103072 +MDMin: 10 15:51:41 5.178987 0.114548 +MDMin: 11 15:51:41 5.178819 0.101284 +MDMin: 12 15:51:41 5.178339 0.067445 +MDMin: 13 15:51:41 5.177568 0.051243 +MDMin: 14 15:51:41 5.176716 0.043470 [ True True False False True True False False True True False False True True False False False] Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 19:52:23 4.639215 0.2538 -BFGSLineSearch: 1[ 2] 19:52:23 4.622063 0.1580 -BFGSLineSearch: 2[ 4] 19:52:23 4.613340 0.0622 -BFGSLineSearch: 3[ 5] 19:52:23 4.611640 0.0336 +BFGSLineSearch: 0[ 0] 15:51:41 4.639215 0.2538 +BFGSLineSearch: 1[ 2] 15:51:42 4.622063 0.1580 +BFGSLineSearch: 2[ 4] 15:51:42 4.613340 0.0622 +BFGSLineSearch: 3[ 5] 15:51:42 4.611640 0.0336 Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 19:52:23 4.639215 0.2538 -BFGSLineSearch: 1[ 2] 19:52:23 4.622063 0.1580 -BFGSLineSearch: 2[ 4] 19:52:23 4.613340 0.0622 -BFGSLineSearch: 3[ 5] 19:52:23 4.611640 0.0336 +BFGSLineSearch: 0[ 0] 15:51:42 4.639215 0.2538 +BFGSLineSearch: 1[ 2] 15:51:42 4.622063 0.1580 +BFGSLineSearch: 2[ 4] 15:51:42 4.613340 0.0622 +BFGSLineSearch: 3[ 5] 15:51:42 4.611640 0.0336 Step Time Energy fmax -MDMin: 0 19:52:23 5.433815 1.152831 -MDMin: 1 19:52:23 5.352153 1.037842 -MDMin: 2 19:52:23 5.179224 0.774873 -MDMin: 3 19:52:23 5.033743 0.467209 -MDMin: 4 19:52:24 4.952170 0.268933 -MDMin: 5 19:52:24 4.905035 0.159286 -MDMin: 6 19:52:24 4.877860 0.128152 -MDMin: 7 19:52:24 4.868891 0.139466 -MDMin: 8 19:52:24 4.868163 0.130688 -MDMin: 9 19:52:24 4.866419 0.110336 -MDMin: 10 19:52:24 4.864367 0.094365 -MDMin: 11 19:52:24 4.862194 0.089287 -MDMin: 12 19:52:24 4.859895 0.085385 -MDMin: 13 19:52:24 4.857565 0.080125 -MDMin: 14 19:52:24 4.855300 0.071964 -MDMin: 15 19:52:24 4.853137 0.058761 -MDMin: 16 19:52:24 4.851083 0.046082 +MDMin: 0 15:51:42 5.433815 1.152831 +MDMin: 1 15:51:42 5.352153 1.037842 +MDMin: 2 15:51:42 5.179224 0.774873 +MDMin: 3 15:51:42 5.033743 0.467209 +MDMin: 4 15:51:42 4.952170 0.268933 +MDMin: 5 15:51:42 4.905035 0.159286 +MDMin: 6 15:51:42 4.877860 0.128152 +MDMin: 7 15:51:42 4.868891 0.139466 +MDMin: 8 15:51:42 4.868163 0.130688 +MDMin: 9 15:51:42 4.866419 0.110336 +MDMin: 10 15:51:42 4.864367 0.094365 +MDMin: 11 15:51:42 4.862194 0.089287 +MDMin: 12 15:51:42 4.859895 0.085385 +MDMin: 13 15:51:42 4.857565 0.080125 +MDMin: 14 15:51:42 4.855300 0.071964 +MDMin: 15 15:51:42 4.853137 0.058761 +MDMin: 16 15:51:42 4.851083 0.046082 ./doc/tutorials test.txt running: ./doc/tutorials/constraints/diffusion.py Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 19:52:24 3.323870 0.2462 -BFGSLineSearch: 1[ 1] 19:52:24 3.314754 0.0378 +BFGSLineSearch: 0[ 0] 15:51:42 3.323870 0.2462 +BFGSLineSearch: 1[ 1] 15:51:42 3.314754 0.0378 Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 19:52:24 3.730166 1.6460 -BFGSLineSearch: 1[ 2] 19:52:24 3.546230 0.2605 -BFGSLineSearch: 2[ 4] 19:52:24 3.513795 0.1080 -BFGSLineSearch: 3[ 6] 19:52:24 3.502279 0.0500 +BFGSLineSearch: 0[ 0] 15:51:42 3.730166 1.6460 +BFGSLineSearch: 1[ 2] 15:51:42 3.546230 0.2605 +BFGSLineSearch: 2[ 4] 15:51:43 3.513795 0.1080 +BFGSLineSearch: 3[ 6] 15:51:43 3.502279 0.0500 Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 19:52:24 3.764262 1.0444 -BFGSLineSearch: 1[ 2] 19:52:24 3.708446 0.1203 -BFGSLineSearch: 2[ 4] 19:52:24 3.695835 0.0668 -BFGSLineSearch: 3[ 6] 19:52:24 3.691660 0.0618 -BFGSLineSearch: 4[ 7] 19:52:24 3.690089 0.0300 +BFGSLineSearch: 0[ 0] 15:51:43 3.764262 1.0444 +BFGSLineSearch: 1[ 2] 15:51:43 3.708446 0.1203 +BFGSLineSearch: 2[ 4] 15:51:43 3.695835 0.0668 +BFGSLineSearch: 3[ 6] 15:51:43 3.691660 0.0618 +BFGSLineSearch: 4[ 7] 15:51:43 3.690089 0.0300 Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 19:52:24 3.580034 0.6521 -BFGSLineSearch: 1[ 1] 19:52:24 3.544894 0.1627 -BFGSLineSearch: 2[ 3] 19:52:24 3.516850 0.1946 -BFGSLineSearch: 3[ 4] 19:52:24 3.508545 0.1325 -BFGSLineSearch: 4[ 5] 19:52:24 3.503316 0.1022 -BFGSLineSearch: 5[ 6] 19:52:24 3.500392 0.0550 -BFGSLineSearch: 6[ 8] 19:52:24 3.499584 0.0392 +BFGSLineSearch: 0[ 0] 15:51:43 3.580034 0.6521 +BFGSLineSearch: 1[ 1] 15:51:43 3.544894 0.1627 +BFGSLineSearch: 2[ 3] 15:51:43 3.516850 0.1946 +BFGSLineSearch: 3[ 4] 15:51:43 3.508545 0.1325 +BFGSLineSearch: 4[ 5] 15:51:43 3.503316 0.1022 +BFGSLineSearch: 5[ 6] 15:51:43 3.500392 0.0550 +BFGSLineSearch: 6[ 8] 15:51:43 3.499584 0.0392 Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 19:52:24 3.463634 0.5332 -BFGSLineSearch: 1[ 2] 19:52:24 3.356702 0.4028 -BFGSLineSearch: 2[ 3] 19:52:24 3.333298 0.1536 -BFGSLineSearch: 3[ 4] 19:52:24 3.322604 0.1003 -BFGSLineSearch: 4[ 5] 19:52:24 3.318477 0.0658 -BFGSLineSearch: 5[ 6] 19:52:24 3.316534 0.0483 +BFGSLineSearch: 0[ 0] 15:51:43 3.463634 0.5332 +BFGSLineSearch: 1[ 2] 15:51:43 3.356702 0.4028 +BFGSLineSearch: 2[ 3] 15:51:43 3.333298 0.1536 +BFGSLineSearch: 3[ 4] 15:51:43 3.322604 0.1003 +BFGSLineSearch: 4[ 5] 15:51:43 3.318477 0.0658 +BFGSLineSearch: 5[ 6] 15:51:43 3.316534 0.0483 ./doc/tutorials/constraints diffusion-path.png running: ./doc/tutorials/db/run.py Added 0 key-value pairs (0 pairs updated) @@ -7112,586 +7146,582 @@ Creating and evaluating generation 9 Creating and evaluating generation 10 Species: Cu, Pt -References: 527 +References: 523 0 Cu24 -0.000 1 Pt24 -0.000 -2 Cu9Pt15 -1.293 -3 Cu17Pt7 -0.972 -4 Cu18Pt6 -1.316 -5 Cu16Pt8 -1.463 -6 Cu6Pt18 -0.956 -7 Cu2Pt22 -0.545 -8 Cu10Pt14 -1.478 -9 Cu15Pt9 -1.742 -10 Cu21Pt3 -0.641 -11 Cu20Pt4 -0.645 -12 Cu21Pt3 -0.732 -13 Cu7Pt17 -1.354 -14 Cu17Pt7 -1.451 -15 Cu2Pt22 -0.381 -16 Cu5Pt19 -1.081 -17 Cu22Pt2 -0.676 -18 Cu11Pt13 -1.108 -19 Cu8Pt16 -1.827 -20 Cu21Pt3 -0.834 -21 Cu17Pt7 -1.593 -22 Cu8Pt16 -1.744 -23 Cu16Pt8 -1.750 -24 Cu4Pt20 -0.876 -25 Cu5Pt19 -1.195 -26 Cu21Pt3 -0.816 -27 Cu14Pt10 -1.442 -28 Cu19Pt5 -1.169 -29 Cu14Pt10 -1.723 -30 Cu20Pt4 -1.155 -31 Cu9Pt15 -1.887 -32 Cu15Pt9 -1.450 -33 Cu23Pt -0.309 -34 Cu8Pt16 -1.768 -35 CuPt23 -0.224 -36 CuPt23 -0.224 -37 Cu4Pt20 -0.970 -38 Cu23Pt -0.359 -39 Cu17Pt7 -1.774 -40 Cu12Pt12 -1.958 -41 Cu14Pt10 -2.030 -42 Cu12Pt12 -1.880 -43 Cu2Pt22 -0.501 -44 Cu16Pt8 -1.684 -45 Cu7Pt17 -0.967 -46 Cu3Pt21 -0.722 -47 Cu20Pt4 -1.299 -48 Cu6Pt18 -1.084 -49 Cu22Pt2 -0.683 -50 Cu5Pt19 -0.776 -51 Cu13Pt11 -1.517 -52 Cu8Pt16 -1.551 -53 Cu4Pt20 -0.852 -54 Cu18Pt6 -1.283 -55 Cu9Pt15 -1.837 -56 Cu7Pt17 -0.888 -57 Cu22Pt2 -0.599 -58 Cu14Pt10 -1.398 -59 Cu8Pt16 -1.656 -60 Cu15Pt9 -1.570 -61 Cu8Pt16 -1.600 -62 Cu5Pt19 -0.846 -63 Cu15Pt9 -1.504 -64 Cu19Pt5 -1.317 -65 Cu16Pt8 -1.563 -66 CuPt23 -0.224 -67 Cu4Pt20 -1.008 -68 Cu15Pt9 -1.477 -69 CuPt23 -0.224 -70 Cu6Pt18 -1.057 -71 Cu11Pt13 -1.420 -72 Cu15Pt9 -1.731 -73 Cu8Pt16 -1.294 -74 Cu8Pt16 -1.574 -75 Cu20Pt4 -1.218 -76 Cu20Pt4 -1.013 -77 Cu10Pt14 -0.800 -78 Cu15Pt9 -1.936 -79 Cu5Pt19 -1.260 -80 Cu10Pt14 -1.283 -81 Cu5Pt19 -1.045 -82 Cu17Pt7 -1.141 -83 Cu15Pt9 -1.774 -84 CuPt23 -0.224 -85 Cu21Pt3 -0.734 -86 Cu10Pt14 -1.192 -87 Cu14Pt10 -1.903 -88 Cu13Pt11 -1.548 -89 Cu11Pt13 -1.098 -90 Cu19Pt5 -1.315 -91 Cu13Pt11 -1.524 -92 Cu6Pt18 -1.078 -93 Cu10Pt14 -1.951 -94 Cu16Pt8 -1.560 -95 Cu13Pt11 -1.166 -96 Cu20Pt4 -0.983 -97 Cu17Pt7 -1.413 -98 Cu9Pt15 -1.665 -99 Cu17Pt7 -1.180 -100 Cu18Pt6 -1.632 -101 Cu16Pt8 -1.524 -102 Cu15Pt9 -1.987 -103 Cu4Pt20 -0.793 -104 Cu19Pt5 -1.496 -105 Cu16Pt8 -0.496 -106 Cu7Pt17 -1.253 -107 Cu11Pt13 -1.979 -108 Cu10Pt14 -1.056 -109 Cu7Pt17 -1.033 -110 Cu14Pt10 -1.904 -111 Cu10Pt14 -1.739 -112 Cu15Pt9 -1.721 -113 Cu5Pt19 -0.980 -114 Cu13Pt11 -1.382 -115 Cu19Pt5 -1.114 -116 Cu18Pt6 -1.506 -117 Cu20Pt4 -1.133 -118 Cu16Pt8 -1.536 -119 Cu12Pt12 -1.756 -120 Cu11Pt13 -1.899 -121 Cu14Pt10 -2.136 -122 Cu3Pt21 -0.776 -123 Cu10Pt14 -1.575 -124 Cu6Pt18 -1.342 -125 Cu17Pt7 -1.714 -126 CuPt23 -0.224 -127 Cu16Pt8 -0.717 -128 Cu18Pt6 -1.005 -129 Cu16Pt8 -1.901 -130 Cu8Pt16 -1.321 -131 Cu15Pt9 -1.737 -132 Cu10Pt14 -1.553 -133 Cu11Pt13 -1.403 -134 Cu12Pt12 -1.925 -135 Cu12Pt12 -1.632 -136 Cu10Pt14 -1.850 -137 Cu12Pt12 -0.768 -138 Cu7Pt17 -1.552 -139 Cu23Pt -0.309 -140 Cu9Pt15 -1.904 -141 Cu16Pt8 -1.659 -142 Cu5Pt19 -1.208 -143 Cu17Pt7 -1.667 -144 Cu14Pt10 -1.145 -145 Cu14Pt10 -1.956 -146 Cu20Pt4 -1.231 -147 Cu11Pt13 -1.883 -148 Cu16Pt8 -2.023 -149 Cu10Pt14 -1.832 -150 Cu2Pt22 -0.545 -151 Cu14Pt10 -1.818 -152 Cu13Pt11 -2.023 -153 Cu17Pt7 -1.605 -154 Cu18Pt6 -1.303 -155 Cu11Pt13 -1.813 -156 Cu11Pt13 -1.365 -157 Cu6Pt18 -1.141 -158 Cu21Pt3 -0.904 -159 Cu16Pt8 -1.723 -160 Cu11Pt13 -1.831 -161 Cu3Pt21 -0.684 -162 Cu16Pt8 -0.597 -163 Cu22Pt2 -0.627 -164 Cu8Pt16 -1.236 -165 Cu12Pt12 -0.864 -166 Cu20Pt4 -0.872 -167 Cu22Pt2 -0.409 -168 Cu9Pt15 -1.904 -169 Cu5Pt19 -1.155 -170 Cu14Pt10 -1.651 -171 Cu9Pt15 -1.829 -172 CuPt23 -0.336 -173 Cu11Pt13 -2.049 -174 Cu6Pt18 -1.118 -175 Cu12Pt12 -1.623 -176 Cu12Pt12 -2.083 -177 Cu6Pt18 -0.956 -178 Cu12Pt12 -1.612 -179 Cu11Pt13 -1.979 -180 Cu7Pt17 -1.624 -181 Cu4Pt20 -1.009 -182 CuPt23 -0.224 -183 Cu18Pt6 -0.864 -184 Cu11Pt13 -1.944 -185 Cu19Pt5 -1.369 -186 Cu5Pt19 -1.311 -187 Cu10Pt14 -1.538 -188 Cu11Pt13 -1.335 -189 Cu6Pt18 -1.492 -190 Pt24 -0.000 -191 Cu9Pt15 -1.147 -192 Cu10Pt14 -2.089 -193 Cu15Pt9 -1.734 -194 Cu5Pt19 -1.011 -195 Cu2Pt22 -0.565 -196 Cu10Pt14 -1.806 -197 Cu14Pt10 -2.130 -198 Cu9Pt15 -1.512 -199 Cu18Pt6 -1.091 -200 Cu4Pt20 -0.988 -201 Cu9Pt15 -1.760 -202 Cu6Pt18 -1.425 -203 Cu11Pt13 -1.711 -204 Cu18Pt6 -1.540 -205 Cu11Pt13 -1.899 -206 Cu17Pt7 -1.857 -207 Cu4Pt20 -0.946 -208 Cu19Pt5 -1.306 -209 Cu7Pt17 -1.569 -210 Cu22Pt2 -0.615 -211 Cu16Pt8 -1.104 -212 Cu9Pt15 -1.688 -213 Cu17Pt7 -1.684 -214 Cu5Pt19 -1.296 -215 Pt24 0.000 -216 Cu17Pt7 -1.755 -217 Cu9Pt15 -0.280 -218 Cu23Pt -0.309 -219 Cu11Pt13 -1.470 -220 Cu5Pt19 -1.180 -221 Cu14Pt10 -1.997 -222 Cu10Pt14 -1.354 -223 Cu3Pt21 -0.767 -224 Cu12Pt12 -2.075 -225 Cu21Pt3 -0.912 -226 Pt24 0.000 -227 Cu3Pt21 -0.721 -228 Cu17Pt7 -1.767 -229 Cu18Pt6 -1.220 -230 Cu18Pt6 -1.001 -231 CuPt23 -0.336 -232 Cu10Pt14 -1.008 -233 Cu18Pt6 -1.561 -234 Cu12Pt12 -1.819 -235 Cu13Pt11 -0.420 -236 Cu11Pt13 -1.900 -237 Cu7Pt17 -1.252 -238 Cu13Pt11 -0.665 -239 Cu13Pt11 -1.860 -240 Cu5Pt19 -1.291 -241 Cu12Pt12 -2.112 -242 Cu19Pt5 -1.463 -243 Cu21Pt3 -0.993 -244 Cu16Pt8 -1.893 -245 Cu20Pt4 -0.940 -246 Cu10Pt14 -1.834 -247 Cu22Pt2 -0.615 -248 Cu17Pt7 -1.530 -249 Cu17Pt7 -1.669 -250 Cu13Pt11 -1.881 -251 CuPt23 -0.336 -252 Cu3Pt21 -0.661 -253 Cu5Pt19 -0.796 -254 Cu17Pt7 -1.690 -255 Cu19Pt5 -0.991 -256 Cu10Pt14 -1.674 -257 Cu11Pt13 -1.666 -258 Cu14Pt10 -1.577 -259 Cu10Pt14 -1.926 -260 Cu12Pt12 -1.164 -261 Cu3Pt21 -0.641 -262 Cu8Pt16 -1.622 -263 Cu7Pt17 -1.161 -264 Cu6Pt18 -0.443 -265 Cu15Pt9 -1.989 -266 Cu13Pt11 -1.894 -267 CuPt23 -0.336 -268 Cu10Pt14 -1.711 -269 Cu4Pt20 -0.975 -270 Cu17Pt7 -1.149 -271 Cu9Pt15 -1.770 -272 Cu14Pt10 -1.868 -273 Cu15Pt9 -1.543 -274 Cu3Pt21 -0.776 -275 CuPt23 -0.224 -276 Cu16Pt8 -1.016 -277 Cu18Pt6 -1.553 -278 Cu19Pt5 -1.160 -279 CuPt23 -0.224 -280 CuPt23 -0.336 -281 Cu13Pt11 -1.706 -282 Cu20Pt4 -1.219 -283 Cu12Pt12 -1.939 -284 Cu10Pt14 -1.863 -285 Cu19Pt5 -1.142 -286 Cu22Pt2 -0.615 -287 Cu21Pt3 -0.791 -288 Cu7Pt17 -1.567 -289 Cu11Pt13 -1.309 -290 Cu3Pt21 -0.667 -291 Cu17Pt7 -1.621 -292 Cu10Pt14 -1.951 -293 Cu7Pt17 -1.596 -294 Cu15Pt9 -1.779 -295 Cu9Pt15 -1.944 -296 Cu7Pt17 -1.351 -297 Cu8Pt16 -1.710 -298 Cu14Pt10 -1.930 -299 Cu11Pt13 -1.689 -300 Cu13Pt11 -1.970 -301 Cu2Pt22 -0.570 -302 Cu12Pt12 -2.027 -303 Cu13Pt11 -1.655 -304 Cu15Pt9 -1.861 -305 Cu8Pt16 -1.646 -306 Cu18Pt6 -1.288 -307 Cu16Pt8 -1.870 -308 Cu10Pt14 -1.940 -309 Cu17Pt7 -1.645 -310 Cu8Pt16 -1.633 -311 Cu8Pt16 -1.626 -312 CuPt23 -0.336 -313 Cu8Pt16 -1.534 -314 Cu14Pt10 -0.992 -315 Cu6Pt18 -1.179 -316 Cu21Pt3 -0.851 -317 Cu13Pt11 -1.794 -318 Cu4Pt20 -1.144 -319 Cu9Pt15 -1.871 -320 Cu11Pt13 -1.616 -321 Cu4Pt20 -0.928 -322 Cu4Pt20 -1.151 -323 Cu14Pt10 -1.744 -324 Cu8Pt16 -1.666 -325 Cu19Pt5 -1.451 -326 Cu11Pt13 -2.095 -327 Cu14Pt10 -1.944 -328 Cu3Pt21 -0.791 -329 Cu19Pt5 -1.470 -330 Cu18Pt6 -1.600 -331 Cu6Pt18 -1.013 -332 Cu23Pt -0.309 -333 Cu12Pt12 -1.612 -334 Cu13Pt11 -1.989 -335 Cu8Pt16 -1.787 -336 Cu14Pt10 -2.037 -337 Cu12Pt12 -1.968 -338 Cu9Pt15 -1.659 -339 Cu8Pt16 -1.698 -340 Cu8Pt16 -1.827 -341 Cu11Pt13 -1.602 -342 Cu8Pt16 -1.787 -343 Cu9Pt15 -1.839 -344 Cu10Pt14 -1.557 -345 Cu8Pt16 -1.723 -346 Cu22Pt2 -0.409 -347 Cu15Pt9 -1.590 -348 Cu22Pt2 -0.689 -349 Cu11Pt13 -1.784 -350 Cu13Pt11 -2.161 -351 Cu12Pt12 -1.885 -352 Cu9Pt15 -1.813 -353 Cu6Pt18 -1.407 -354 Cu20Pt4 -1.032 -355 Cu20Pt4 -0.740 -356 Cu12Pt12 -2.025 -357 Cu5Pt19 -1.215 -358 Cu15Pt9 -1.411 -359 Cu17Pt7 -1.372 -360 Cu17Pt7 -1.681 -361 Cu14Pt10 -1.870 -362 Cu8Pt16 -1.382 -363 Cu7Pt17 -1.597 -364 Cu7Pt17 -1.356 -365 Cu8Pt16 -1.723 -366 Cu14Pt10 -1.327 -367 Cu20Pt4 -1.068 -368 Cu9Pt15 -1.776 -369 Cu18Pt6 -1.473 -370 Cu11Pt13 -1.716 -371 Cu14Pt10 -1.651 -372 Cu5Pt19 -1.035 -373 Cu6Pt18 -1.322 -374 Cu13Pt11 -2.155 -375 Cu20Pt4 -1.150 -376 Cu9Pt15 -1.690 -377 Cu14Pt10 -2.146 -378 Cu8Pt16 -1.785 -379 Cu12Pt12 -2.119 -380 Cu13Pt11 -1.678 -381 Cu8Pt16 -1.929 -382 Cu23Pt -0.309 -383 Cu17Pt7 -1.658 -384 Cu3Pt21 -0.950 -385 Cu18Pt6 -1.136 -386 Cu21Pt3 -0.834 -387 Cu8Pt16 -1.724 -388 Cu15Pt9 -2.085 -389 Cu13Pt11 -2.101 -390 Cu12Pt12 -2.119 -391 Cu4Pt20 -1.002 -392 Cu23Pt -0.309 -393 Cu23Pt -0.309 -394 Cu11Pt13 -1.711 -395 Cu14Pt10 -2.146 -396 Cu7Pt17 -1.239 -397 Cu16Pt8 -1.757 -398 Cu13Pt11 -1.965 -399 Cu17Pt7 -1.673 -400 Cu4Pt20 -1.054 -401 Cu15Pt9 -1.084 -402 Cu3Pt21 -0.599 -403 Cu16Pt8 -1.935 -404 Cu10Pt14 -2.147 -405 CuPt23 -0.224 -406 Cu14Pt10 -2.018 -407 Cu19Pt5 -1.318 -408 Cu15Pt9 -1.590 -409 Cu4Pt20 -0.913 -410 Cu7Pt17 -1.775 -411 Cu19Pt5 -1.401 -412 Cu12Pt12 -2.029 -413 Cu15Pt9 -1.681 -414 Cu6Pt18 -1.358 -415 Cu13Pt11 -1.135 -416 Cu18Pt6 -1.589 -417 Cu9Pt15 -1.657 -418 Cu5Pt19 -1.130 -419 Pt24 0.000 -420 Cu15Pt9 -2.017 -421 Cu10Pt14 -1.882 -422 Cu11Pt13 -2.109 -423 Cu14Pt10 -1.421 -424 Cu6Pt18 -1.251 -425 Cu3Pt21 -0.754 -426 Cu21Pt3 -0.848 -427 Cu15Pt9 -2.085 -428 Cu4Pt20 -1.015 -429 Cu4Pt20 -1.045 -430 Cu4Pt20 -0.793 -431 Cu15Pt9 -1.922 -432 Cu15Pt9 -1.952 -433 Cu6Pt18 -1.161 -434 Cu14Pt10 -1.948 -435 Cu10Pt14 -1.473 -436 Cu2Pt22 -0.570 -437 Cu15Pt9 -2.085 -438 Cu12Pt12 -1.939 -439 Cu16Pt8 -1.874 -440 Cu19Pt5 -1.470 -441 Cu13Pt11 -2.072 -442 Cu22Pt2 -0.599 -443 Cu6Pt18 -1.397 -444 Cu3Pt21 -0.707 -445 Cu17Pt7 -1.625 -446 Cu12Pt12 -0.830 -447 Cu9Pt15 -1.689 -448 Cu19Pt5 -1.508 -449 Cu5Pt19 -0.894 -450 Cu4Pt20 -1.039 -451 Cu7Pt17 -0.613 -452 CuPt23 -0.224 -453 Cu16Pt8 -1.893 -454 Cu11Pt13 -1.898 -455 Cu6Pt18 -1.508 -456 Cu16Pt8 -1.672 -457 Cu15Pt9 -1.766 -458 Cu6Pt18 -1.310 -459 Cu18Pt6 -1.384 -460 Cu21Pt3 -0.891 -461 Cu16Pt8 -1.872 -462 Cu17Pt7 -1.818 -463 Cu4Pt20 -0.972 -464 Cu11Pt13 -2.084 -465 Cu9Pt15 -1.526 -466 Cu14Pt10 -2.126 -467 Cu3Pt21 -0.850 -468 Cu22Pt2 -0.521 -469 Cu19Pt5 -1.023 -470 Cu20Pt4 -1.140 -471 Cu9Pt15 -1.888 -472 Cu18Pt6 -1.680 -473 Cu21Pt3 -0.851 -474 Cu13Pt11 -1.651 -475 Cu5Pt19 -1.254 -476 Cu9Pt15 -1.986 -477 Cu7Pt17 -1.490 -478 Cu7Pt17 -1.563 -479 Cu7Pt17 -0.957 -480 Cu9Pt15 -1.805 -481 Cu11Pt13 -1.738 -482 Cu14Pt10 -2.073 -483 Cu23Pt -0.359 -484 Cu14Pt10 -2.173 -485 Cu8Pt16 -1.665 -486 Cu9Pt15 -1.427 -487 Cu3Pt21 -0.521 -488 Cu19Pt5 -1.519 -489 Cu23Pt -0.359 -490 Cu18Pt6 -1.656 -491 Cu2Pt22 -0.570 -492 Cu17Pt7 -1.659 -493 Cu15Pt9 -1.859 -494 Cu2Pt22 -0.623 -495 Cu4Pt20 -1.112 -496 Cu20Pt4 -1.287 -497 Cu5Pt19 -1.116 -498 Cu7Pt17 -1.608 -499 Cu18Pt6 -1.551 -500 Cu13Pt11 -2.052 -501 Pt24 0.000 -502 Cu14Pt10 -1.956 -503 CuPt23 -0.224 -504 Cu19Pt5 -1.404 -505 Cu8Pt16 -1.586 -506 Cu21Pt3 -0.993 -507 Cu12Pt12 -0.896 -508 Cu22Pt2 -0.599 -509 Cu4Pt20 -1.189 -510 Cu16Pt8 -1.869 -511 Cu13Pt11 -2.082 -512 Cu18Pt6 -0.711 -513 Cu10Pt14 -1.959 -514 Cu10Pt14 -1.883 -515 Cu7Pt17 -1.394 -516 Cu9Pt15 -1.879 -517 Cu3Pt21 -0.521 -518 Cu11Pt13 -1.962 -519 Cu7Pt17 -1.551 -520 Cu22Pt2 -0.689 -521 Cu5Pt19 -1.014 -522 Cu16Pt8 -2.086 -523 Cu14Pt10 -1.992 -524 Cu10Pt14 -0.982 -525 CuPt23 -0.336 -526 Cu11Pt13 -2.108 +2 Cu2Pt22 -0.381 +3 Cu10Pt14 -1.861 +4 Cu20Pt4 -1.222 +5 Cu7Pt17 -1.478 +6 Cu4Pt20 -0.995 +7 Cu17Pt7 -1.753 +8 Cu2Pt22 -0.381 +9 Cu12Pt12 -1.867 +10 Cu14Pt10 -2.039 +11 Cu8Pt16 -1.580 +12 Cu3Pt21 -0.935 +13 Cu11Pt13 -2.140 +14 Cu5Pt19 -1.182 +15 Cu2Pt22 -0.449 +16 Cu7Pt17 -1.543 +17 Cu16Pt8 -1.669 +18 Cu4Pt20 -0.946 +19 Cu12Pt12 -1.442 +20 Cu2Pt22 -0.444 +21 Cu4Pt20 -0.930 +22 Cu14Pt10 -1.705 +23 Cu11Pt13 -1.794 +24 Cu13Pt11 -1.379 +25 Cu9Pt15 -1.535 +26 Cu13Pt11 -1.829 +27 Cu14Pt10 -1.842 +28 Cu13Pt11 -1.617 +29 Cu21Pt3 -0.890 +30 Cu6Pt18 -1.135 +31 Cu7Pt17 -1.449 +32 Cu23Pt -0.359 +33 Cu18Pt6 -1.389 +34 Cu19Pt5 -1.043 +35 Cu19Pt5 -1.387 +36 Cu21Pt3 -0.734 +37 Cu23Pt -0.309 +38 Cu14Pt10 -1.546 +39 Cu20Pt4 -0.935 +40 Cu11Pt13 -1.980 +41 Cu22Pt2 -0.689 +42 Cu15Pt9 -1.504 +43 Cu17Pt7 -1.511 +44 Cu5Pt19 -1.251 +45 Cu7Pt17 -1.332 +46 Cu13Pt11 -1.805 +47 Cu11Pt13 -1.923 +48 Cu19Pt5 -1.468 +49 Cu15Pt9 -1.315 +50 Cu19Pt5 -1.202 +51 Cu14Pt10 -1.807 +52 Cu6Pt18 -1.053 +53 CuPt23 -0.224 +54 Cu18Pt6 -1.468 +55 Cu10Pt14 -1.643 +56 Cu8Pt16 -1.492 +57 Cu10Pt14 -0.925 +58 Cu14Pt10 -1.878 +59 Cu10Pt14 -1.810 +60 Cu14Pt10 -1.602 +61 Cu20Pt4 -1.299 +62 Cu9Pt15 -1.708 +63 Cu14Pt10 -1.830 +64 Cu19Pt5 -1.461 +65 Cu4Pt20 -0.845 +66 Cu16Pt8 -1.002 +67 Cu4Pt20 -0.908 +68 Cu15Pt9 -1.578 +69 Cu14Pt10 -1.773 +70 Cu13Pt11 -1.055 +71 Cu8Pt16 -1.523 +72 Cu21Pt3 -0.791 +73 Cu15Pt9 -1.964 +74 Cu19Pt5 -1.380 +75 Cu4Pt20 -0.821 +76 Cu17Pt7 -1.380 +77 Cu11Pt13 -2.097 +78 Cu19Pt5 -1.388 +79 Cu16Pt8 -1.455 +80 Cu17Pt7 -1.414 +81 Cu15Pt9 -1.216 +82 Cu7Pt17 -1.148 +83 Cu5Pt19 -1.001 +84 Cu12Pt12 -2.120 +85 CuPt23 -0.224 +86 Cu15Pt9 -1.818 +87 Cu20Pt4 -0.809 +88 Cu18Pt6 -1.556 +89 Cu10Pt14 -1.536 +90 Cu17Pt7 -1.808 +91 Cu4Pt20 -0.934 +92 Cu3Pt21 -0.600 +93 Cu20Pt4 -1.113 +94 Cu18Pt6 -1.147 +95 Cu10Pt14 -1.816 +96 Cu6Pt18 -1.461 +97 Cu7Pt17 -1.491 +98 Cu15Pt9 -1.345 +99 Cu17Pt7 -1.465 +100 Cu19Pt5 -1.262 +101 Cu3Pt21 -0.950 +102 Cu8Pt16 -1.050 +103 Cu17Pt7 -1.456 +104 Cu22Pt2 -0.629 +105 Cu17Pt7 -1.478 +106 Cu13Pt11 -1.349 +107 Cu17Pt7 -1.792 +108 Cu14Pt10 -2.000 +109 Cu13Pt11 -1.750 +110 Cu8Pt16 -1.176 +111 Cu6Pt18 -1.107 +112 Cu13Pt11 -1.524 +113 Cu7Pt17 -1.532 +114 Cu12Pt12 -1.907 +115 Cu21Pt3 -0.895 +116 Cu10Pt14 -1.902 +117 Cu10Pt14 -1.844 +118 Cu8Pt16 -0.088 +119 Cu4Pt20 -0.750 +120 Cu9Pt15 -1.943 +121 Cu14Pt10 -1.766 +122 Cu23Pt -0.309 +123 Cu17Pt7 -1.841 +124 Cu6Pt18 -1.310 +125 Cu5Pt19 -1.225 +126 Cu16Pt8 -1.731 +127 Cu7Pt17 -1.487 +128 Cu11Pt13 -2.072 +129 Cu7Pt17 -1.387 +130 Cu10Pt14 -1.860 +131 Cu15Pt9 -0.883 +132 Cu4Pt20 -1.172 +133 Cu12Pt12 -1.969 +134 CuPt23 -0.336 +135 Cu18Pt6 -1.401 +136 Cu10Pt14 -1.902 +137 Cu7Pt17 -1.363 +138 Cu7Pt17 -0.967 +139 Cu12Pt12 -1.174 +140 Cu4Pt20 -0.971 +141 Cu22Pt2 -0.657 +142 Cu7Pt17 -1.328 +143 Cu21Pt3 -0.745 +144 Cu9Pt15 -1.723 +145 Cu23Pt -0.359 +146 Cu2Pt22 -0.381 +147 Cu10Pt14 -1.575 +148 Cu3Pt21 -0.876 +149 Cu10Pt14 -1.813 +150 Cu7Pt17 -1.609 +151 CuPt23 -0.336 +152 Cu20Pt4 -1.303 +153 Cu18Pt6 -1.679 +154 Cu17Pt7 -1.491 +155 Cu13Pt11 -1.640 +156 Cu14Pt10 -1.819 +157 Cu15Pt9 -1.602 +158 Cu4Pt20 -0.718 +159 Cu18Pt6 -1.431 +160 Cu23Pt -0.309 +161 Cu5Pt19 -1.145 +162 Cu15Pt9 -1.808 +163 Cu24 0.000 +164 CuPt23 -0.336 +165 Cu9Pt15 -1.904 +166 Cu6Pt18 -1.316 +167 Cu15Pt9 -1.534 +168 Cu20Pt4 -1.062 +169 Cu11Pt13 -1.927 +170 Cu12Pt12 -2.023 +171 Cu10Pt14 -1.723 +172 Cu9Pt15 -1.822 +173 Cu13Pt11 -1.786 +174 Cu10Pt14 -1.681 +175 Cu22Pt2 -0.560 +176 Cu7Pt17 -1.196 +177 Cu20Pt4 -1.251 +178 Cu5Pt19 -1.018 +179 Cu7Pt17 -0.712 +180 Cu16Pt8 -1.812 +181 Cu13Pt11 -1.978 +182 Cu10Pt14 -1.103 +183 Cu13Pt11 -1.506 +184 Cu15Pt9 -1.705 +185 Cu19Pt5 -0.929 +186 Cu16Pt8 -0.582 +187 Cu18Pt6 -1.541 +188 Cu2Pt22 -0.381 +189 Cu16Pt8 -1.708 +190 Cu8Pt16 -1.723 +191 Cu15Pt9 -1.869 +192 Cu10Pt14 -1.669 +193 Cu19Pt5 -0.941 +194 Cu9Pt15 -1.619 +195 Cu14Pt10 -1.427 +196 Cu9Pt15 -1.834 +197 Cu16Pt8 -1.978 +198 Cu11Pt13 -1.004 +199 Cu16Pt8 -1.860 +200 CuPt23 -0.336 +201 Cu7Pt17 -1.437 +202 Cu18Pt6 -1.274 +203 Cu8Pt16 -1.560 +204 Cu17Pt7 -1.776 +205 Cu7Pt17 -1.534 +206 Cu8Pt16 -1.495 +207 Cu5Pt19 -1.247 +208 Cu18Pt6 -1.584 +209 Cu15Pt9 -1.711 +210 Cu15Pt9 -1.779 +211 Cu14Pt10 -1.434 +212 Cu18Pt6 -1.693 +213 Cu3Pt21 -0.684 +214 Cu13Pt11 -1.712 +215 Cu20Pt4 -1.216 +216 Cu11Pt13 -2.140 +217 Cu13Pt11 -1.491 +218 Cu5Pt19 -1.101 +219 Cu17Pt7 -0.734 +220 Cu6Pt18 -1.022 +221 Cu10Pt14 -1.841 +222 Cu16Pt8 -1.797 +223 Cu14Pt10 -1.982 +224 Cu12Pt12 -1.481 +225 Cu15Pt9 -1.958 +226 Cu9Pt15 -1.732 +227 Cu20Pt4 -0.995 +228 Cu4Pt20 -1.068 +229 Cu20Pt4 -1.210 +230 Cu8Pt16 -1.498 +231 Cu20Pt4 -1.197 +232 Cu10Pt14 -2.013 +233 Cu11Pt13 -1.286 +234 CuPt23 -0.336 +235 Cu15Pt9 -1.888 +236 Cu12Pt12 -2.010 +237 Cu12Pt12 -1.945 +238 Cu2Pt22 -0.449 +239 Cu17Pt7 -1.409 +240 Cu19Pt5 -1.240 +241 Cu13Pt11 -1.720 +242 Cu8Pt16 -1.504 +243 CuPt23 -0.336 +244 Cu9Pt15 -1.379 +245 Cu17Pt7 -1.637 +246 Cu6Pt18 -1.474 +247 Cu4Pt20 -0.909 +248 Cu10Pt14 -0.979 +249 Cu15Pt9 -2.086 +250 Cu16Pt8 -1.773 +251 Cu10Pt14 -1.579 +252 Cu21Pt3 -0.850 +253 Cu15Pt9 -1.826 +254 Cu11Pt13 -1.430 +255 Cu16Pt8 -1.749 +256 Cu13Pt11 -1.716 +257 Cu14Pt10 -1.703 +258 Cu18Pt6 -1.859 +259 Cu5Pt19 -0.717 +260 Cu11Pt13 -1.950 +261 Cu15Pt9 -1.674 +262 Cu15Pt9 -1.779 +263 Cu3Pt21 -0.935 +264 Cu15Pt9 -1.788 +265 Cu22Pt2 -0.689 +266 Cu11Pt13 -2.015 +267 Cu23Pt -0.359 +268 Cu17Pt7 -1.726 +269 Cu15Pt9 -1.958 +270 Cu9Pt15 -1.670 +271 Cu12Pt12 -1.952 +272 Cu12Pt12 -1.848 +273 Cu14Pt10 -1.477 +274 Cu16Pt8 -0.833 +275 Cu5Pt19 -1.192 +276 Cu17Pt7 -1.593 +277 Cu9Pt15 -0.935 +278 Cu22Pt2 -0.689 +279 Cu4Pt20 -0.938 +280 Cu18Pt6 -1.303 +281 Cu18Pt6 -1.611 +282 Cu11Pt13 -1.753 +283 Cu18Pt6 -1.704 +284 Cu23Pt -0.359 +285 Cu11Pt13 -1.244 +286 Cu16Pt8 -1.854 +287 Cu13Pt11 -1.943 +288 Cu13Pt11 -1.168 +289 Cu7Pt17 -1.680 +290 Cu10Pt14 -1.492 +291 Cu17Pt7 -1.703 +292 Cu9Pt15 -1.907 +293 Cu12Pt12 -1.347 +294 Cu16Pt8 -0.621 +295 Cu4Pt20 -1.164 +296 CuPt23 -0.224 +297 Cu21Pt3 -0.893 +298 Cu11Pt13 -1.583 +299 Cu19Pt5 -1.186 +300 Cu8Pt16 -1.495 +301 Cu17Pt7 -1.716 +302 CuPt23 -0.224 +303 Cu16Pt8 -1.717 +304 Cu16Pt8 -1.570 +305 Cu18Pt6 -1.625 +306 Cu5Pt19 -1.345 +307 Cu12Pt12 -0.490 +308 Cu11Pt13 -2.142 +309 Cu13Pt11 -1.533 +310 Cu8Pt16 -1.687 +311 Cu6Pt18 -1.142 +312 Cu12Pt12 -1.848 +313 Cu7Pt17 -1.290 +314 Cu9Pt15 -1.917 +315 Cu19Pt5 -1.378 +316 Cu11Pt13 -1.869 +317 Cu13Pt11 -1.777 +318 Cu15Pt9 -1.105 +319 Cu9Pt15 -1.610 +320 Cu6Pt18 -1.405 +321 Cu11Pt13 -1.279 +322 Cu8Pt16 -0.940 +323 Cu11Pt13 -1.781 +324 Cu11Pt13 -1.856 +325 CuPt23 -0.224 +326 Cu9Pt15 -1.928 +327 Cu5Pt19 -1.037 +328 Cu22Pt2 -0.629 +329 Cu5Pt19 -1.248 +330 Cu3Pt21 -0.743 +331 Cu18Pt6 -1.210 +332 Cu14Pt10 -1.407 +333 Cu14Pt10 -1.093 +334 Cu6Pt18 -1.043 +335 Cu12Pt12 -1.590 +336 Cu7Pt17 -1.518 +337 Cu12Pt12 -1.625 +338 Cu14Pt10 -1.612 +339 Cu20Pt4 -1.067 +340 Cu16Pt8 -1.146 +341 Cu10Pt14 -1.898 +342 Cu18Pt6 -1.551 +343 Cu21Pt3 -0.734 +344 Cu13Pt11 -1.459 +345 CuPt23 -0.336 +346 Cu18Pt6 -1.276 +347 Cu15Pt9 -1.421 +348 Cu11Pt13 -1.833 +349 Cu21Pt3 -0.732 +350 Cu2Pt22 -0.509 +351 Cu19Pt5 -1.370 +352 Cu6Pt18 -1.534 +353 Cu6Pt18 -1.151 +354 Cu5Pt19 -1.363 +355 Cu15Pt9 -1.960 +356 Cu14Pt10 -2.143 +357 Cu17Pt7 -1.697 +358 Cu5Pt19 -1.359 +359 Cu2Pt22 -0.431 +360 Cu17Pt7 -1.593 +361 Cu16Pt8 -1.778 +362 Cu14Pt10 -1.644 +363 Cu13Pt11 -1.799 +364 Cu17Pt7 -1.821 +365 Cu17Pt7 -1.707 +366 Cu11Pt13 -2.015 +367 Cu15Pt9 -1.562 +368 Cu23Pt -0.359 +369 Cu10Pt14 -1.869 +370 Cu13Pt11 -2.210 +371 Pt24 0.000 +372 Cu3Pt21 -0.747 +373 Cu17Pt7 -1.176 +374 Cu8Pt16 -1.426 +375 Cu9Pt15 -1.913 +376 Cu15Pt9 -1.456 +377 Cu5Pt19 -1.247 +378 Cu15Pt9 -2.089 +379 Cu7Pt17 -1.596 +380 Cu11Pt13 -1.645 +381 Cu13Pt11 -1.958 +382 Cu17Pt7 -1.345 +383 Cu8Pt16 -1.853 +384 Cu6Pt18 -1.438 +385 Cu16Pt8 -1.888 +386 Cu12Pt12 -2.047 +387 Cu11Pt13 -2.140 +388 Cu18Pt6 -1.528 +389 Cu18Pt6 -1.560 +390 Cu14Pt10 -2.108 +391 Cu13Pt11 -1.320 +392 Cu13Pt11 -1.928 +393 CuPt23 -0.336 +394 Cu13Pt11 -2.180 +395 Cu17Pt7 -1.726 +396 CuPt23 -0.336 +397 Cu6Pt18 -1.499 +398 Cu10Pt14 -1.764 +399 Cu15Pt9 -1.388 +400 Cu3Pt21 -0.894 +401 Cu16Pt8 -1.702 +402 Cu17Pt7 -1.758 +403 Cu13Pt11 -1.538 +404 Cu15Pt9 -1.538 +405 Cu10Pt14 -1.976 +406 Cu21Pt3 -0.923 +407 Cu18Pt6 -1.580 +408 Cu8Pt16 -1.634 +409 Cu9Pt15 -1.789 +410 Cu5Pt19 -0.977 +411 Cu7Pt17 -1.702 +412 CuPt23 -0.336 +413 Cu17Pt7 -1.765 +414 Cu13Pt11 -1.727 +415 Cu9Pt15 -0.601 +416 Cu13Pt11 -2.253 +417 Cu19Pt5 -1.144 +418 Cu18Pt6 -0.603 +419 Cu11Pt13 -1.985 +420 Cu17Pt7 -1.645 +421 Cu8Pt16 -1.693 +422 Cu3Pt21 -0.950 +423 Cu22Pt2 -0.612 +424 Cu17Pt7 -1.867 +425 Cu4Pt20 -1.079 +426 Cu7Pt17 -1.726 +427 CuPt23 -0.336 +428 Cu7Pt17 -1.103 +429 Cu10Pt14 -1.826 +430 Cu20Pt4 -1.034 +431 Cu11Pt13 -1.950 +432 Cu21Pt3 -0.802 +433 Cu16Pt8 -1.755 +434 Cu9Pt15 -1.764 +435 Cu13Pt11 -1.743 +436 Cu20Pt4 -0.858 +437 Cu3Pt21 -0.661 +438 Cu8Pt16 -1.803 +439 Cu6Pt18 -1.313 +440 Cu13Pt11 -2.147 +441 Cu20Pt4 -1.224 +442 Cu9Pt15 -1.974 +443 Cu21Pt3 -0.852 +444 Cu5Pt19 -1.170 +445 Cu21Pt3 -0.888 +446 Cu18Pt6 -1.630 +447 Cu17Pt7 -1.539 +448 CuPt23 -0.224 +449 Cu16Pt8 -1.832 +450 Cu14Pt10 -2.033 +451 Cu4Pt20 -1.129 +452 Cu18Pt6 -1.734 +453 Cu16Pt8 -1.969 +454 Cu16Pt8 -1.631 +455 Cu15Pt9 -1.960 +456 Cu11Pt13 -2.140 +457 Cu20Pt4 -1.303 +458 Cu20Pt4 -1.303 +459 Cu18Pt6 -1.656 +460 Cu14Pt10 -2.063 +461 Cu9Pt15 -1.879 +462 Cu14Pt10 -0.913 +463 CuPt23 -0.336 +464 Cu17Pt7 -1.856 +465 Cu11Pt13 -1.807 +466 Cu7Pt17 -1.586 +467 Cu9Pt15 -1.600 +468 Cu20Pt4 -1.032 +469 Cu13Pt11 -2.046 +470 Cu8Pt16 -1.775 +471 Cu16Pt8 -1.764 +472 Cu13Pt11 -2.253 +473 Cu16Pt8 -1.857 +474 Cu19Pt5 -1.262 +475 Cu8Pt16 -1.645 +476 Cu11Pt13 -1.877 +477 Cu21Pt3 -0.798 +478 Cu12Pt12 -1.991 +479 Cu20Pt4 -1.235 +480 Cu14Pt10 -1.987 +481 Cu18Pt6 -1.337 +482 Cu7Pt17 -1.402 +483 Cu13Pt11 -2.135 +484 Cu8Pt16 -1.182 +485 Cu8Pt16 -1.815 +486 Cu4Pt20 -0.832 +487 Cu11Pt13 -2.140 +488 Cu10Pt14 -2.000 +489 Cu9Pt15 -1.248 +490 Cu4Pt20 -0.903 +491 Cu7Pt17 -1.450 +492 Cu9Pt15 -2.057 +493 Cu22Pt2 -0.627 +494 Cu19Pt5 -1.442 +495 Cu2Pt22 -0.570 +496 Cu4Pt20 -1.183 +497 Cu10Pt14 -1.823 +498 Cu11Pt13 -1.990 +499 Cu12Pt12 -1.837 +500 Cu15Pt9 -0.400 +501 Cu21Pt3 -0.798 +502 Cu10Pt14 -1.190 +503 Cu6Pt18 -1.561 +504 Cu10Pt14 -1.932 +505 Cu14Pt10 -2.008 +506 Cu12Pt12 -2.087 +507 CuPt23 -0.224 +508 Cu10Pt14 -1.828 +509 Cu8Pt16 -1.445 +510 Cu11Pt13 -1.704 +511 Cu21Pt3 -1.007 +512 Cu18Pt6 -1.284 +513 Cu11Pt13 -1.949 +514 Cu3Pt21 -0.946 +515 Cu5Pt19 -1.260 +516 Cu5Pt19 -1.154 +517 Cu21Pt3 -0.970 +518 Cu16Pt8 -1.333 +519 Cu13Pt11 -1.877 +520 Cu15Pt9 -2.097 +521 Cu13Pt11 -2.112 +522 Cu13Pt11 -2.196 Simplices: 13 ./doc/tutorials/ga hull.png running: ./doc/tutorials/minimahopping/minimahopping.py ./doc/tutorials/minimahopping summary.png running: ./doc/tutorials/neb/diffusion.py Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 19:53:05 3.323870 0.2462 -BFGSLineSearch: 1[ 1] 19:53:05 3.314754 0.0378 +BFGSLineSearch: 0[ 0] 15:52:55 3.323870 0.2462 +BFGSLineSearch: 1[ 1] 15:52:55 3.314754 0.0378 Step[ FC] Time Energy fmax -BFGSLineSearch: 0[ 0] 19:53:05 3.320051 0.1208 -BFGSLineSearch: 1[ 1] 19:53:05 3.316117 0.0474 +BFGSLineSearch: 0[ 0] 15:52:55 3.320051 0.1208 +BFGSLineSearch: 1[ 1] 15:52:55 3.316117 0.0474 Step Time Energy fmax -BFGS: 0 19:53:05 4.219952 3.520752 -BFGS: 1 19:53:05 3.937039 2.176459 -BFGS: 2 19:53:05 3.719814 0.435144 -BFGS: 3 19:53:05 3.709652 0.230130 -BFGS: 4 19:53:05 3.708879 0.244129 -BFGS: 5 19:53:05 3.706088 0.257744 -BFGS: 6 19:53:05 3.698532 0.213396 -BFGS: 7 19:53:05 3.692121 0.246181 -BFGS: 8 19:53:05 3.692274 0.187321 -BFGS: 9 19:53:05 3.693484 0.172736 -BFGS: 10 19:53:05 3.692659 0.151427 -BFGS: 11 19:53:05 3.690809 0.073608 -BFGS: 12 19:53:05 3.690202 0.070785 -BFGS: 13 19:53:05 3.690382 0.078195 -BFGS: 14 19:53:05 3.690426 0.103450 -BFGS: 15 19:53:05 3.689890 0.099762 -BFGS: 16 19:53:05 3.689029 0.054308 -BFGS: 17 19:53:05 3.688737 0.028916 +BFGS: 0 15:52:55 4.219952 3.520752 +BFGS: 1 15:52:55 3.937039 2.176459 +BFGS: 2 15:52:55 3.719814 0.435144 +BFGS: 3 15:52:55 3.709652 0.230130 +BFGS: 4 15:52:55 3.708879 0.244129 +BFGS: 5 15:52:55 3.706088 0.257744 +BFGS: 6 15:52:55 3.698532 0.213396 +BFGS: 7 15:52:55 3.692121 0.246181 +BFGS: 8 15:52:55 3.692274 0.187321 +BFGS: 9 15:52:55 3.693484 0.172736 +BFGS: 10 15:52:55 3.692659 0.151427 +BFGS: 11 15:52:56 3.690809 0.073608 +BFGS: 12 15:52:56 3.690202 0.070785 +BFGS: 13 15:52:56 3.690382 0.078195 +BFGS: 14 15:52:56 3.690426 0.103450 +BFGS: 15 15:52:56 3.689890 0.099762 +BFGS: 16 15:52:56 3.689029 0.054308 +BFGS: 17 15:52:56 3.688737 0.028916 Step Time Energy fmax -BFGS: 0 19:53:05 3.688737 0.028916 -BFGS: 1 19:53:05 3.688734 0.026509 -BFGS: 2 19:53:05 3.688730 0.023976 -BFGS: 3 19:53:05 3.688729 0.023898 -BFGS: 4 19:53:05 3.688718 0.012188 -BFGS: 5 19:53:05 3.688718 0.008625 -BFGS: 6 19:53:05 3.688718 0.009485 -BFGS: 7 19:53:05 3.688718 0.009737 -BFGS: 8 19:53:06 3.688716 0.009698 -BFGS: 9 19:53:06 3.688714 0.008666 -BFGS: 10 19:53:06 3.688714 0.006195 -BFGS: 11 19:53:06 3.688714 0.005328 -BFGS: 12 19:53:06 3.688714 0.005264 -BFGS: 13 19:53:06 3.688714 0.006633 -BFGS: 14 19:53:06 3.688715 0.008844 -BFGS: 15 19:53:06 3.688723 0.010877 -BFGS: 16 19:53:06 3.688733 0.015712 -BFGS: 17 19:53:06 3.688732 0.015288 -BFGS: 18 19:53:06 3.688722 0.010019 -BFGS: 19 19:53:06 3.688716 0.005032 -BFGS: 20 19:53:06 3.688716 0.003424 +BFGS: 0 15:52:56 3.688737 0.028916 +BFGS: 1 15:52:56 3.688734 0.026509 +BFGS: 2 15:52:56 3.688730 0.023976 +BFGS: 3 15:52:56 3.688729 0.023898 +BFGS: 4 15:52:56 3.688718 0.012188 +BFGS: 5 15:52:56 3.688718 0.008625 +BFGS: 6 15:52:56 3.688718 0.009485 +BFGS: 7 15:52:56 3.688718 0.009737 +BFGS: 8 15:52:56 3.688716 0.009698 +BFGS: 9 15:52:57 3.688714 0.008666 +BFGS: 10 15:52:57 3.688714 0.006195 +BFGS: 11 15:52:57 3.688714 0.005328 +BFGS: 12 15:52:57 3.688714 0.005264 +BFGS: 13 15:52:57 3.688714 0.006633 +BFGS: 14 15:52:57 3.688715 0.008844 +BFGS: 15 15:52:57 3.688723 0.010877 +BFGS: 16 15:52:57 3.688733 0.015712 +BFGS: 17 15:52:57 3.688732 0.015288 +BFGS: 18 15:52:58 3.688722 0.010019 +BFGS: 19 15:52:58 3.688716 0.005032 +BFGS: 20 15:52:58 3.688716 0.003424 ./doc/tutorials/neb diffusion-I.png ./doc/tutorials/neb diffusion-T.png ./doc/tutorials/neb diffusion-F.png @@ -7703,7 +7733,7 @@ loading intersphinx inventory 'gpaw' from https://gpaw.readthedocs.io/objects.inv ... loading intersphinx inventory 'python' from /usr/share/doc/python3/html/objects.inv ... WARNING: failed to reach any of the inventories with the following issues: -intersphinx inventory 'https://gpaw.readthedocs.io/objects.inv' not fetchable due to : HTTPSConnectionPool(host='gpaw.readthedocs.io', port=443): Max retries exceeded with url: /objects.inv (Caused by NameResolutionError(": Failed to resolve 'gpaw.readthedocs.io' ([Errno -3] Temporary failure in name resolution)")) +intersphinx inventory 'https://gpaw.readthedocs.io/objects.inv' not fetchable due to : HTTPSConnectionPool(host='gpaw.readthedocs.io', port=443): Max retries exceeded with url: /objects.inv (Caused by NameResolutionError(": Failed to resolve 'gpaw.readthedocs.io' ([Errno -3] Temporary failure in name resolution)")) building [mo]: targets for 0 po files that are out of date writing output... building [html]: targets for 174 source files that are out of date @@ -7953,9 +7983,9 @@ copying downloadable files... [100%] tutorials/selfdiffusion/dimer_along.py copying static files... +Writing evaluated template result to /build/reproducible-path/python-ase-3.24.0/debian/python-ase-doc/usr/share/doc/python-ase-doc/html/_static/documentation_options.js Writing evaluated template result to /build/reproducible-path/python-ase-3.24.0/debian/python-ase-doc/usr/share/doc/python-ase-doc/html/_static/basic.css Writing evaluated template result to /build/reproducible-path/python-ase-3.24.0/debian/python-ase-doc/usr/share/doc/python-ase-doc/html/_static/language_data.js -Writing evaluated template result to /build/reproducible-path/python-ase-3.24.0/debian/python-ase-doc/usr/share/doc/python-ase-doc/html/_static/documentation_options.js Writing evaluated template result to /build/reproducible-path/python-ase-3.24.0/debian/python-ase-doc/usr/share/doc/python-ase-doc/html/_static/js/versions.js copying static files: done copying extra files... @@ -8545,17 +8575,17 @@ dh_perl -O--buildsystem=pybuild dh_link -O--buildsystem=pybuild dh_strip_nondeterminism -O--buildsystem=pybuild - Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/gl/LC_MESSAGES/ag.mo + Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/fr/LC_MESSAGES/ag.mo + Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/sv/LC_MESSAGES/ag.mo Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/es/LC_MESSAGES/ag.mo Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/da/LC_MESSAGES/ag.mo - Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/fi/LC_MESSAGES/ag.mo Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/en_GB/LC_MESSAGES/ag.mo - Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/zh_CN/LC_MESSAGES/ag.mo - Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/fr/LC_MESSAGES/ag.mo - Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/eu/LC_MESSAGES/ag.mo - Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/sv/LC_MESSAGES/ag.mo + Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/gl/LC_MESSAGES/ag.mo + Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/fi/LC_MESSAGES/ag.mo Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/ru/LC_MESSAGES/ag.mo + Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/eu/LC_MESSAGES/ag.mo Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/de/LC_MESSAGES/ag.mo + Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/zh_CN/LC_MESSAGES/ag.mo dh_compress -O--buildsystem=pybuild dh_fixperms -O--buildsystem=pybuild dh_missing -O--buildsystem=pybuild @@ -8563,8 +8593,8 @@ dh_gencontrol -O--buildsystem=pybuild dh_md5sums -O--buildsystem=pybuild dh_builddeb -O--buildsystem=pybuild -dpkg-deb: building package 'ase' in '../ase_3.24.0-1_all.deb'. dpkg-deb: building package 'python-ase-doc' in '../python-ase-doc_3.24.0-1_all.deb'. +dpkg-deb: building package 'ase' in '../ase_3.24.0-1_all.deb'. dpkg-deb: building package 'python3-ase' in '../python3-ase_3.24.0-1_all.deb'. dpkg-genbuildinfo --build=binary -O../python-ase_3.24.0-1_i386.buildinfo dpkg-genchanges --build=binary -O../python-ase_3.24.0-1_i386.changes @@ -8573,12 +8603,14 @@ dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: including full source code in upload I: copying local configuration +I: user script /srv/workspace/pbuilder/21433/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/21433/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/80119 and its subdirectories -I: Current time: Fri Apr 10 19:54:07 -12 2026 -I: pbuilder-time-stamp: 1775894047 +I: removing directory /srv/workspace/pbuilder/21433 and its subdirectories +I: Current time: Sun Mar 9 15:57:33 +14 2025 +I: pbuilder-time-stamp: 1741485453