Diff of the two buildlogs:

--
--- b1/build.log	2025-03-08 05:41:15.756334194 +0000
+++ b2/build.log	2025-03-08 06:54:34.836701916 +0000
@@ -1,6 +1,6 @@
 I: pbuilder: network access will be disabled during build
-I: Current time: Thu Apr  9 23:55:02 -12 2026
-I: pbuilder-time-stamp: 1775822102
+I: Current time: Sat Mar  8 19:41:19 +14 2025
+I: pbuilder-time-stamp: 1741412479
 I: Building the build Environment
 I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz]
 I: copying local configuration
@@ -26,52 +26,84 @@
 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/856676/tmp/hooks/D02_print_environment starting
+I: user script /srv/workspace/pbuilder/3508576/tmp/hooks/D01_modify_environment starting
+debug: Running on ionos11-amd64.
+I: Changing host+domainname to test build reproducibility
+I: Adding a custom variable just for the fun of it...
+I: Changing /bin/sh to bash
+'/bin/sh' -> '/bin/bash'
+lrwxrwxrwx 1 root root 9 Mar  8 05:41 /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/3508576/tmp/hooks/D01_modify_environment finished
+I: user script /srv/workspace/pbuilder/3508576/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='amd64'
-  DEBIAN_FRONTEND='noninteractive'
-  DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=42 '
-  DISTRIBUTION='trixie'
-  HOME='/root'
-  HOST_ARCH='amd64'
+  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]="x86_64-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=amd64
+  DEBIAN_FRONTEND=noninteractive
+  DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=20 '
+  DIRSTACK=()
+  DISTRIBUTION=trixie
+  EUID=0
+  FUNCNAME=([0]="Echo" [1]="main")
+  GROUPS=()
+  HOME=/root
+  HOSTNAME=i-capture-the-hostname
+  HOSTTYPE=x86_64
+  HOST_ARCH=amd64
   IFS=' 	
   '
-  INVOCATION_ID='37c3a2fecc0640639a7391b4350c44a6'
-  LANG='C'
-  LANGUAGE='en_US:en'
-  LC_ALL='C'
-  MAIL='/var/mail/root'
-  OPTIND='1'
-  PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games'
-  PBCURRENTCOMMANDLINEOPERATION='build'
-  PBUILDER_OPERATION='build'
-  PBUILDER_PKGDATADIR='/usr/share/pbuilder'
-  PBUILDER_PKGLIBDIR='/usr/lib/pbuilder'
-  PBUILDER_SYSCONFDIR='/etc'
-  PPID='856676'
-  PS1='# '
-  PS2='> '
+  INVOCATION_ID=7ef3a98b6e1f4bf49eb7adcbc0714b70
+  LANG=C
+  LANGUAGE=et_EE:et
+  LC_ALL=C
+  MACHTYPE=x86_64-pc-linux-gnu
+  MAIL=/var/mail/root
+  OPTERR=1
+  OPTIND=1
+  OSTYPE=linux-gnu
+  PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path
+  PBCURRENTCOMMANDLINEOPERATION=build
+  PBUILDER_OPERATION=build
+  PBUILDER_PKGDATADIR=/usr/share/pbuilder
+  PBUILDER_PKGLIBDIR=/usr/lib/pbuilder
+  PBUILDER_SYSCONFDIR=/etc
+  PIPESTATUS=([0]="0")
+  POSIXLY_CORRECT=y
+  PPID=3508576
   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.8wVYBoSn/pbuilderrc_7QNM --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.8wVYBoSn/b1 --logfile b1/build.log python-ase_3.24.0-1.dsc'
-  SUDO_GID='111'
-  SUDO_UID='106'
-  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.8wVYBoSn/pbuilderrc_Ts31 --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.8wVYBoSn/b2 --logfile b2/build.log python-ase_3.24.0-1.dsc'
+  SUDO_GID=111
+  SUDO_UID=106
+  SUDO_USER=jenkins
+  TERM=unknown
+  TZ=/usr/share/zoneinfo/Etc/GMT-14
+  UID=0
+  USER=root
+  _='I: set'
+  http_proxy=http://46.16.76.132:3128
 I: uname -a
-  Linux ionos15-amd64 6.12.12+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.12.12-1~bpo12+1 (2025-02-23) 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/856676/tmp/hooks/D02_print_environment finished
+  lrwxrwxrwx 1 root root 7 Nov 22 14:40 /bin -> usr/bin
+I: user script /srv/workspace/pbuilder/3508576/tmp/hooks/D02_print_environment finished
  -> Attempting to satisfy build-dependencies
  -> Creating pbuilder-satisfydepends-dummy package
 Package: pbuilder-satisfydepends-dummy
@@ -446,7 +478,7 @@
 Get: 297 http://deb.debian.org/debian trixie/main amd64 xdg-utils all 1.2.1-2 [75.8 kB]
 Get: 298 http://deb.debian.org/debian trixie/main amd64 texlive-base all 2024.20250114-1 [22.8 MB]
 Get: 299 http://deb.debian.org/debian trixie/main amd64 texlive-latex-base all 2024.20250114-1 [1282 kB]
-Fetched 247 MB in 9s (28.7 MB/s)
+Fetched 247 MB in 17s (14.3 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 ... 19800 files and directories currently installed.)
@@ -1410,8 +1442,8 @@
 Setting up tzdata (2025a-2) ...
 
 Current default time zone: 'Etc/UTC'
-Local time is now:      Fri Apr 10 11:56:16 UTC 2026.
-Universal Time is now:  Fri Apr 10 11:56:16 UTC 2026.
+Local time is now:      Sat Mar  8 05:55:05 UTC 2025.
+Universal Time is now:  Sat Mar  8 05:55:05 UTC 2025.
 Run 'dpkg-reconfigure tzdata' if you wish to change it.
 
 Setting up libxcb-present0:amd64 (1.17.0-2+b1) ...
@@ -1698,7 +1730,11 @@
 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/3508576/tmp/hooks/A99_set_merged_usr starting
+Not re-configuring usrmerge for trixie
+I: user script /srv/workspace/pbuilder/3508576/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
@@ -1721,1270 +1757,1270 @@
 * Building wheel...
 No `packages` or `py_modules` configuration, performing automatic discovery.
 `flat-layout` detected -- analysing .
-discovered packages -- ['ase', 'ase.spacegroup', 'ase.collections', 'ase.utils', 'ase.transport', 'ase.data', 'ase.build', 'ase.test', 'ase.io', 'ase.visualize', 'ase.geometry', 'ase.db', 'ase.cli', 'ase.cluster', 'ase.md', 'ase.optimize', 'ase.mep', 'ase.gui', 'ase.dft', 'ase.spectrum', 'ase.vibrations', 'ase.calculators', 'ase.lattice', 'ase.ga', 'ase.test.bandstructure', 'ase.test.spacegroup', 'ase.test.bravais', 'ase.test.testdata', 'ase.test.cell', 'ase.test.transport', 'ase.test.neb', 'ase.test.fio', 'ase.test.atoms', 'ase.test.geometry', 'ase.test.db', 'ase.test.cli', 'ase.test.precon', 'ase.test.md', 'ase.test.optimize', 'ase.test.lammpsdata', 'ase.test.neighbor', 'ase.test.build_', 'ase.test.forcefields', 'ase.test.gui', 'ase.test.dft', 'ase.test.spectrum', 'ase.test.calculator', 'ase.test.vibrations', 'ase.test.standardization', 'ase.test.constraints', 'ase.test.emt', 'ase.test.filter', 'ase.test.ga', 'ase.test.testdata.octopus', 'ase.test.testdata.vasp', 'ase.test.testdata.siesta', 'ase.test.testdata.aims', 'ase.test.testdata.castep', 'ase.test.testdata.io', 'ase.test.testdata.nwchem', 'ase.test.testdata.minerals', 'ase.test.testdata.vasp.Li', 'ase.test.testdata.io.eon', 'ase.test.fio.octopus', 'ase.test.fio.vasp', 'ase.test.fio.aims', 'ase.test.fio.exciting', 'ase.test.fio.castep', 'ase.test.calculator.octopus', 'ase.test.calculator.gamess_us', 'ase.test.calculator.kim', 'ase.test.calculator.amber', 'ase.test.calculator.demon', 'ase.test.calculator.cp2k', 'ase.test.calculator.dmol', 'ase.test.calculator.vasp', 'ase.test.calculator.crystal', 'ase.test.calculator.lammpsrun', 'ase.test.calculator.siesta', 'ase.test.calculator.aims', 'ase.test.calculator.dftb', 'ase.test.calculator.psi4', 'ase.test.calculator.exciting', 'ase.test.calculator.elk', 'ase.test.calculator.lammps', 'ase.test.calculator.turbomole', 'ase.test.calculator.castep', 'ase.test.calculator.abinit', 'ase.test.calculator.gpaw_', 'ase.test.calculator.qchem', 'ase.test.calculator.gromacs', 'ase.test.calculator.nwchem', 'ase.test.calculator.onetep', 'ase.test.calculator.openmx', 'ase.test.calculator.ace', 'ase.test.calculator.plumed', 'ase.test.calculator.socketio', 'ase.test.calculator.lammpslib', 'ase.test.calculator.espresso', 'ase.test.calculator.demonnano', 'ase.test.calculator.gaussian', 'ase.test.calculator.siesta.lrtddft', 'ase.test.calculator.siesta.test_scripts', 'ase.test.calculator.siesta.lrtddft.raman_espresso', 'ase.test.calculator.siesta.test_scripts.Si', 'ase.test.calculator.siesta.test_scripts.CH4', 'ase.test.calculator.siesta.test_scripts.Na8', 'ase.test.calculator.siesta.test_scripts.H2', 'ase.test.calculator.siesta.test_scripts.Charge', 'ase.test.calculator.openmx.md', 'ase.io.octopus', 'ase.io.castep', 'ase.io.nwchem', 'ase.io.vasp_parsers', 'ase.io.espresso_namelist', 'ase.geometry.dimensionality', 'ase.db.static', 'ase.db.templates', 'ase.optimize.gpmin', 'ase.optimize.test', 'ase.optimize.precon', 'ase.gui.po', 'ase.gui.po.fr', 'ase.gui.po.fi', 'ase.gui.po.zh_CN', 'ase.gui.po.sv', 'ase.gui.po.es', 'ase.gui.po.de', 'ase.gui.po.gl', 'ase.gui.po.da', 'ase.gui.po.en_GB', 'ase.gui.po.eu', 'ase.gui.po.ru', 'ase.gui.po.fr.LC_MESSAGES', 'ase.gui.po.fi.LC_MESSAGES', 'ase.gui.po.zh_CN.LC_MESSAGES', 'ase.gui.po.sv.LC_MESSAGES', 'ase.gui.po.es.LC_MESSAGES', 'ase.gui.po.de.LC_MESSAGES', 'ase.gui.po.gl.LC_MESSAGES', 'ase.gui.po.da.LC_MESSAGES', 'ase.gui.po.en_GB.LC_MESSAGES', 'ase.gui.po.eu.LC_MESSAGES', 'ase.gui.po.ru.LC_MESSAGES', 'ase.calculators.kim', 'ase.calculators.demon', 'ase.calculators.vasp', 'ase.calculators.siesta', 'ase.calculators.exciting', 'ase.calculators.lammps', 'ase.calculators.turbomole', 'ase.calculators.openmx', 'ase.ga.tools']
+discovered packages -- ['ase', 'ase.vibrations', 'ase.calculators', 'ase.mep', 'ase.collections', 'ase.geometry', 'ase.optimize', 'ase.gui', 'ase.lattice', 'ase.build', 'ase.cluster', 'ase.dft', 'ase.transport', 'ase.io', 'ase.spacegroup', 'ase.md', 'ase.test', 'ase.data', 'ase.spectrum', 'ase.ga', 'ase.visualize', 'ase.db', 'ase.utils', 'ase.cli', 'ase.calculators.kim', 'ase.calculators.lammps', 'ase.calculators.openmx', 'ase.calculators.vasp', 'ase.calculators.turbomole', 'ase.calculators.siesta', 'ase.calculators.demon', 'ase.calculators.exciting', 'ase.geometry.dimensionality', 'ase.optimize.precon', 'ase.optimize.gpmin', 'ase.optimize.test', 'ase.gui.po', 'ase.gui.po.sv', 'ase.gui.po.fi', 'ase.gui.po.fr', 'ase.gui.po.gl', 'ase.gui.po.en_GB', 'ase.gui.po.es', 'ase.gui.po.eu', 'ase.gui.po.zh_CN', 'ase.gui.po.da', 'ase.gui.po.de', 'ase.gui.po.ru', 'ase.gui.po.sv.LC_MESSAGES', 'ase.gui.po.fi.LC_MESSAGES', 'ase.gui.po.fr.LC_MESSAGES', 'ase.gui.po.gl.LC_MESSAGES', 'ase.gui.po.en_GB.LC_MESSAGES', 'ase.gui.po.es.LC_MESSAGES', 'ase.gui.po.eu.LC_MESSAGES', 'ase.gui.po.zh_CN.LC_MESSAGES', 'ase.gui.po.da.LC_MESSAGES', 'ase.gui.po.de.LC_MESSAGES', 'ase.gui.po.ru.LC_MESSAGES', 'ase.io.espresso_namelist', 'ase.io.nwchem', 'ase.io.castep', 'ase.io.octopus', 'ase.io.vasp_parsers', 'ase.test.emt', 'ase.test.constraints', 'ase.test.vibrations', 'ase.test.build_', 'ase.test.precon', 'ase.test.testdata', 'ase.test.geometry', 'ase.test.optimize', 'ase.test.fio', 'ase.test.forcefields', 'ase.test.gui', 'ase.test.filter', 'ase.test.neighbor', 'ase.test.dft', 'ase.test.transport', 'ase.test.lammpsdata', 'ase.test.spacegroup', 'ase.test.md', 'ase.test.spectrum', 'ase.test.calculator', 'ase.test.atoms', 'ase.test.ga', 'ase.test.standardization', 'ase.test.db', 'ase.test.bravais', 'ase.test.cell', 'ase.test.neb', 'ase.test.bandstructure', 'ase.test.cli', 'ase.test.testdata.nwchem', 'ase.test.testdata.castep', 'ase.test.testdata.io', 'ase.test.testdata.minerals', 'ase.test.testdata.octopus', 'ase.test.testdata.aims', 'ase.test.testdata.vasp', 'ase.test.testdata.siesta', 'ase.test.testdata.io.eon', 'ase.test.testdata.vasp.Li', 'ase.test.fio.castep', 'ase.test.fio.octopus', 'ase.test.fio.aims', 'ase.test.fio.vasp', 'ase.test.fio.exciting', 'ase.test.calculator.kim', 'ase.test.calculator.lammps', 'ase.test.calculator.cp2k', 'ase.test.calculator.gpaw_', 'ase.test.calculator.dftb', 'ase.test.calculator.plumed', 'ase.test.calculator.ace', 'ase.test.calculator.gaussian', 'ase.test.calculator.gamess_us', 'ase.test.calculator.socketio', 'ase.test.calculator.openmx', 'ase.test.calculator.dmol', 'ase.test.calculator.nwchem', 'ase.test.calculator.psi4', 'ase.test.calculator.castep', 'ase.test.calculator.elk', 'ase.test.calculator.octopus', 'ase.test.calculator.onetep', 'ase.test.calculator.lammpslib', 'ase.test.calculator.aims', 'ase.test.calculator.vasp', 'ase.test.calculator.gromacs', 'ase.test.calculator.amber', 'ase.test.calculator.abinit', 'ase.test.calculator.turbomole', 'ase.test.calculator.siesta', 'ase.test.calculator.lammpsrun', 'ase.test.calculator.crystal', 'ase.test.calculator.qchem', 'ase.test.calculator.demonnano', 'ase.test.calculator.demon', 'ase.test.calculator.exciting', 'ase.test.calculator.espresso', 'ase.test.calculator.openmx.md', 'ase.test.calculator.siesta.test_scripts', 'ase.test.calculator.siesta.lrtddft', 'ase.test.calculator.siesta.test_scripts.CH4', 'ase.test.calculator.siesta.test_scripts.Si', 'ase.test.calculator.siesta.test_scripts.H2', 'ase.test.calculator.siesta.test_scripts.Na8', 'ase.test.calculator.siesta.test_scripts.Charge', 'ase.test.calculator.siesta.lrtddft.raman_espresso', 'ase.ga.tools', 'ase.db.static', 'ase.db.templates']
 running bdist_wheel
 running build
 running build_py
 creating build/lib/ase
-copying ase/quaternions.py -> build/lib/ase
-copying ase/config.py -> build/lib/ase
-copying ase/phonons.py -> build/lib/ase
-copying ase/__main__.py -> build/lib/ase
-copying ase/atoms.py -> build/lib/ase
-copying ase/dependencies.py -> build/lib/ase
-copying ase/thermochemistry.py -> build/lib/ase
-copying ase/codes.py -> build/lib/ase
-copying ase/units.py -> build/lib/ase
-copying ase/parallel.py -> build/lib/ase
-copying ase/eos.py -> build/lib/ase
-copying ase/constraints.py -> build/lib/ase
-copying ase/phasediagram.py -> build/lib/ase
+copying ase/dimer.py -> build/lib/ase
 copying ase/autoneb.py -> build/lib/ase
-copying ase/formula.py -> build/lib/ase
-copying ase/nomad.py -> build/lib/ase
 copying ase/__init__.py -> build/lib/ase
-copying ase/atom.py -> build/lib/ase
-copying ase/dimer.py -> build/lib/ase
-copying ase/filters.py -> build/lib/ase
+copying ase/quaternions.py -> build/lib/ase
 copying ase/neb.py -> build/lib/ase
+copying ase/phasediagram.py -> build/lib/ase
+copying ase/parallel.py -> build/lib/ase
 copying ase/neighborlist.py -> build/lib/ase
+copying ase/codes.py -> build/lib/ase
+copying ase/formula.py -> build/lib/ase
+copying ase/phonons.py -> build/lib/ase
+copying ase/config.py -> build/lib/ase
+copying ase/__main__.py -> build/lib/ase
+copying ase/dependencies.py -> build/lib/ase
 copying ase/outputs.py -> build/lib/ase
-copying ase/cell.py -> build/lib/ase
+copying ase/stress.py -> build/lib/ase
 copying ase/pourbaix.py -> build/lib/ase
+copying ase/constraints.py -> build/lib/ase
 copying ase/symbols.py -> build/lib/ase
 copying ase/dyneb.py -> build/lib/ase
-copying ase/stress.py -> build/lib/ase
-creating 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/utils.py -> build/lib/ase/spacegroup
-copying ase/spacegroup/crystal_data.py -> build/lib/ase/spacegroup
-copying ase/spacegroup/__init__.py -> build/lib/ase/spacegroup
-copying ase/spacegroup/symmetrize.py -> build/lib/ase/spacegroup
+copying ase/atoms.py -> build/lib/ase
+copying ase/units.py -> build/lib/ase
+copying ase/eos.py -> build/lib/ase
+copying ase/filters.py -> build/lib/ase
+copying ase/nomad.py -> build/lib/ase
+copying ase/thermochemistry.py -> build/lib/ase
+copying ase/cell.py -> build/lib/ase
+copying ase/atom.py -> build/lib/ase
+creating build/lib/ase/vibrations
+copying ase/vibrations/__init__.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/placzek.py -> 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/vibrations.py -> build/lib/ase/vibrations
+copying ase/vibrations/data.py -> build/lib/ase/vibrations
+copying ase/vibrations/albrecht.py -> build/lib/ase/vibrations
+copying ase/vibrations/infrared.py -> build/lib/ase/vibrations
+creating build/lib/ase/calculators
+copying ase/calculators/gromacs.py -> build/lib/ase/calculators
+copying ase/calculators/__init__.py -> build/lib/ase/calculators
+copying ase/calculators/emt.py -> build/lib/ase/calculators
+copying ase/calculators/psi4.py -> build/lib/ase/calculators
+copying ase/calculators/elk.py -> build/lib/ase/calculators
+copying ase/calculators/harmonic.py -> build/lib/ase/calculators
+copying ase/calculators/names.py -> build/lib/ase/calculators
+copying ase/calculators/excitation_list.py -> build/lib/ase/calculators
+copying ase/calculators/bond_polarizability.py -> build/lib/ase/calculators
+copying ase/calculators/plumed.py -> build/lib/ase/calculators
+copying ase/calculators/amber.py -> build/lib/ase/calculators
+copying ase/calculators/lammpsrun.py -> build/lib/ase/calculators
+copying ase/calculators/genericfileio.py -> build/lib/ase/calculators
+copying ase/calculators/calculator.py -> build/lib/ase/calculators
+copying ase/calculators/gaussian.py -> build/lib/ase/calculators
+copying ase/calculators/morse.py -> build/lib/ase/calculators
+copying ase/calculators/singlepoint.py -> build/lib/ase/calculators
+copying ase/calculators/subprocesscalculator.py -> build/lib/ase/calculators
+copying ase/calculators/fd.py -> build/lib/ase/calculators
+copying ase/calculators/abinit.py -> build/lib/ase/calculators
+copying ase/calculators/checkpoint.py -> build/lib/ase/calculators
+copying ase/calculators/lammpslib.py -> build/lib/ase/calculators
+copying ase/calculators/polarizability.py -> build/lib/ase/calculators
+copying ase/calculators/orca.py -> build/lib/ase/calculators
+copying ase/calculators/gulp.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/socketio.py -> build/lib/ase/calculators
+copying ase/calculators/aims.py -> build/lib/ase/calculators
+copying ase/calculators/acn.py -> build/lib/ase/calculators
+copying ase/calculators/tip4p.py -> build/lib/ase/calculators
+copying ase/calculators/test.py -> build/lib/ase/calculators
+copying ase/calculators/qchem.py -> build/lib/ase/calculators
+copying ase/calculators/dmol.py -> build/lib/ase/calculators
+copying ase/calculators/mopac.py -> build/lib/ase/calculators
+copying ase/calculators/lj.py -> build/lib/ase/calculators
+copying ase/calculators/loggingcalc.py -> build/lib/ase/calculators
+copying ase/calculators/counterions.py -> build/lib/ase/calculators
+copying ase/calculators/vdwcorrection.py -> build/lib/ase/calculators
+copying ase/calculators/demonnano.py -> build/lib/ase/calculators
+copying ase/calculators/tip3p.py -> build/lib/ase/calculators
+copying ase/calculators/cp2k.py -> build/lib/ase/calculators
+copying ase/calculators/dftd3.py -> build/lib/ase/calculators
+copying ase/calculators/crystal.py -> build/lib/ase/calculators
+copying ase/calculators/qmmm.py -> build/lib/ase/calculators
+copying ase/calculators/espresso.py -> build/lib/ase/calculators
+copying ase/calculators/h2morse.py -> build/lib/ase/calculators
+copying ase/calculators/idealgas.py -> build/lib/ase/calculators
+copying ase/calculators/octopus.py -> build/lib/ase/calculators
+copying ase/calculators/eam.py -> build/lib/ase/calculators
+copying ase/calculators/gamess_us.py -> build/lib/ase/calculators
+copying ase/calculators/abc.py -> build/lib/ase/calculators
+copying ase/calculators/onetep.py -> build/lib/ase/calculators
+copying ase/calculators/ff.py -> build/lib/ase/calculators
+copying ase/calculators/combine_mm.py -> build/lib/ase/calculators
+copying ase/calculators/acemolecule.py -> build/lib/ase/calculators
+copying ase/calculators/nwchem.py -> build/lib/ase/calculators
+copying ase/calculators/fleur.py -> build/lib/ase/calculators
+copying ase/calculators/dftb.py -> build/lib/ase/calculators
+creating 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/__init__.py -> build/lib/ase/mep
+copying ase/mep/neb.py -> build/lib/ase/mep
+copying ase/mep/dyneb.py -> build/lib/ase/mep
 creating build/lib/ase/collections
 copying ase/collections/__init__.py -> build/lib/ase/collections
 copying ase/collections/create.py -> build/lib/ase/collections
 copying ase/collections/collection.py -> build/lib/ase/collections
-creating build/lib/ase/utils
-copying ase/utils/linesearch.py -> build/lib/ase/utils
-copying ase/utils/structure_comparator.py -> build/lib/ase/utils
-copying ase/utils/cube.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/arraywrapper.py -> build/lib/ase/utils
-copying ase/utils/cext.py -> build/lib/ase/utils
-copying ase/utils/newrelease.py -> build/lib/ase/utils
-copying ase/utils/plotting.py -> build/lib/ase/utils
-copying ase/utils/filecache.py -> build/lib/ase/utils
-copying ase/utils/linesearcharmijo.py -> build/lib/ase/utils
-copying ase/utils/xrdebye.py -> build/lib/ase/utils
-copying ase/utils/__init__.py -> build/lib/ase/utils
-copying ase/utils/ptable.py -> build/lib/ase/utils
-copying ase/utils/checkimports.py -> build/lib/ase/utils
-copying ase/utils/deltacodesdft.py -> build/lib/ase/utils
-copying ase/utils/sphinx.py -> build/lib/ase/utils
-copying ase/utils/timing.py -> build/lib/ase/utils
-copying ase/utils/forcecurve.py -> build/lib/ase/utils
-copying ase/utils/ff.py -> build/lib/ase/utils
-copying ase/utils/abc.py -> build/lib/ase/utils
-copying ase/utils/parsemath.py -> build/lib/ase/utils
-creating 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/greenfunction.py -> build/lib/ase/transport
-copying ase/transport/__init__.py -> build/lib/ase/transport
-copying ase/transport/selfenergy.py -> build/lib/ase/transport
-copying ase/transport/tools.py -> build/lib/ase/transport
-creating build/lib/ase/data
-copying ase/data/cccbdb_ip.py -> build/lib/ase/data
-copying ase/data/g2_2.py -> build/lib/ase/data
-copying ase/data/extra_molecules.py -> build/lib/ase/data
-copying ase/data/pubchem.py -> build/lib/ase/data
-copying ase/data/s22.py -> build/lib/ase/data
-copying ase/data/colors.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/__init__.py -> build/lib/ase/data
-copying ase/data/cohesive_energies.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/dbh24.py -> build/lib/ase/data
-copying ase/data/vdw.py -> build/lib/ase/data
+creating build/lib/ase/geometry
+copying ase/geometry/__init__.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/geometry.py -> build/lib/ase/geometry
+copying ase/geometry/bravais_type_engine.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
+creating build/lib/ase/optimize
+copying ase/optimize/__init__.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/minimahopping.py -> build/lib/ase/optimize
+copying ase/optimize/mdmin.py -> build/lib/ase/optimize
+copying ase/optimize/cellawarebfgs.py -> build/lib/ase/optimize
+copying ase/optimize/sciopt.py -> build/lib/ase/optimize
+copying ase/optimize/optimize.py -> build/lib/ase/optimize
+copying ase/optimize/lbfgs.py -> build/lib/ase/optimize
+copying ase/optimize/oldqn.py -> build/lib/ase/optimize
+copying ase/optimize/bfgs.py -> build/lib/ase/optimize
+copying ase/optimize/fire2.py -> build/lib/ase/optimize
+copying ase/optimize/fire.py -> build/lib/ase/optimize
+copying ase/optimize/bfgslinesearch.py -> build/lib/ase/optimize
+copying ase/optimize/ode.py -> build/lib/ase/optimize
+creating build/lib/ase/gui
+copying ase/gui/nanoparticle.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/__init__.py -> build/lib/ase/gui
+copying ase/gui/defaults.py -> build/lib/ase/gui
+copying ase/gui/save.py -> build/lib/ase/gui
+copying ase/gui/quickinfo.py -> build/lib/ase/gui
+copying ase/gui/ag.py -> build/lib/ase/gui
+copying ase/gui/celleditor.py -> build/lib/ase/gui
+copying ase/gui/add.py -> build/lib/ase/gui
+copying ase/gui/movie.py -> build/lib/ase/gui
+copying ase/gui/widgets.py -> build/lib/ase/gui
+copying ase/gui/modify.py -> build/lib/ase/gui
+copying ase/gui/surfaceslab.py -> build/lib/ase/gui
+copying ase/gui/rotate.py -> build/lib/ase/gui
+copying ase/gui/clipboard.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/images.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/graphs.py -> build/lib/ase/gui
+copying ase/gui/utils.py -> build/lib/ase/gui
+copying ase/gui/settings.py -> build/lib/ase/gui
+copying ase/gui/gui.py -> build/lib/ase/gui
+copying ase/gui/nanotube.py -> build/lib/ase/gui
+copying ase/gui/repeat.py -> build/lib/ase/gui
+copying ase/gui/render.py -> build/lib/ase/gui
+copying ase/gui/view.py -> build/lib/ase/gui
+creating build/lib/ase/lattice
+copying ase/lattice/__init__.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/cubic.py -> build/lib/ase/lattice
+copying ase/lattice/bravais.py -> build/lib/ase/lattice
+copying ase/lattice/compounds.py -> build/lib/ase/lattice
+copying ase/lattice/monoclinic.py -> build/lib/ase/lattice
+copying ase/lattice/hexagonal.py -> build/lib/ase/lattice
+copying ase/lattice/tetragonal.py -> build/lib/ase/lattice
 creating build/lib/ase/build
+copying ase/build/__init__.py -> build/lib/ase/build
 copying ase/build/bulk.py -> build/lib/ase/build
-copying ase/build/general_surface.py -> build/lib/ase/build
-copying ase/build/niggli.py -> build/lib/ase/build
-copying ase/build/tube.py -> build/lib/ase/build
+copying ase/build/supercells.py -> build/lib/ase/build
 copying ase/build/ribbon.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/__init__.py -> build/lib/ase/build
 copying ase/build/molecule.py -> build/lib/ase/build
-copying ase/build/attach.py -> build/lib/ase/build
 copying ase/build/root.py -> build/lib/ase/build
 copying ase/build/tools.py -> build/lib/ase/build
+copying ase/build/niggli.py -> build/lib/ase/build
+copying ase/build/rotate.py -> build/lib/ase/build
+copying ase/build/general_surface.py -> build/lib/ase/build
 copying ase/build/connected.py -> build/lib/ase/build
-copying ase/build/supercells.py -> build/lib/ase/build
-creating build/lib/ase/test
-copying ase/test/test_calc_properties.py -> build/lib/ase/test
-copying ase/test/test_root_surf.py -> build/lib/ase/test
-copying ase/test/test_dimer_method.py -> build/lib/ase/test
-copying ase/test/test_potential_energies.py -> build/lib/ase/test
-copying ase/test/test_pourbaix.py -> build/lib/ase/test
-copying ase/test/test_imports.py -> build/lib/ase/test
-copying ase/test/test_minimum_image_convention.py -> build/lib/ase/test
-copying ase/test/test_timing.py -> build/lib/ase/test
-copying ase/test/test_formula.py -> build/lib/ase/test
-copying ase/test/test_basin.py -> build/lib/ase/test
-copying ase/test/test_example.py -> build/lib/ase/test
-copying ase/test/test_s22.py -> build/lib/ase/test
-copying ase/test/test_eos.py -> build/lib/ase/test
-copying ase/test/test_dimer.py -> build/lib/ase/test
-copying ase/test/utils.py -> build/lib/ase/test
-copying ase/test/testsuite.py -> build/lib/ase/test
-copying ase/test/test_singlepoint_dft_calc.py -> build/lib/ase/test
-copying ase/test/test_lattice_lindep.py -> build/lib/ase/test
-copying ase/test/test_properties.py -> build/lib/ase/test
-copying ase/test/test_xwopen.py -> build/lib/ase/test
-copying ase/test/test_loggingcalc.py -> build/lib/ase/test
-copying ase/test/test_pathlib_support.py -> build/lib/ase/test
-copying ase/test/test_calculator_label.py -> build/lib/ase/test
-copying ase/test/test_bader.py -> build/lib/ase/test
-copying ase/test/test_singlepointcalc.py -> build/lib/ase/test
-copying ase/test/test_util.py -> build/lib/ase/test
-copying ase/test/test_zmatrix.py -> build/lib/ase/test
-copying ase/test/test_issue276.py -> build/lib/ase/test
-copying ase/test/test_hcp.py -> build/lib/ase/test
-copying ase/test/test_diffusion_coefficient.py -> build/lib/ase/test
-copying ase/test/test_versionnumber.py -> build/lib/ase/test
-copying ase/test/test_things.py -> build/lib/ase/test
-copying ase/test/test_checkpoint.py -> build/lib/ase/test
-copying ase/test/test_noncollinear.py -> build/lib/ase/test
-copying ase/test/test_matplotlib_plot.py -> build/lib/ase/test
-copying ase/test/test_pubchem.py -> build/lib/ase/test
-copying ase/test/test_kpts.py -> build/lib/ase/test
-copying ase/test/test_phasediagram.py -> build/lib/ase/test
-copying ase/test/test_thermochemistry.py -> build/lib/ase/test
-copying ase/test/test_filecache.py -> build/lib/ase/test
-copying ase/test/__init__.py -> build/lib/ase/test
-copying ase/test/test_x3d.py -> build/lib/ase/test
-copying ase/test/test_kpts2kpts.py -> build/lib/ase/test
-copying ase/test/test_units.py -> build/lib/ase/test
-copying ase/test/test_mpi.py -> build/lib/ase/test
-copying ase/test/test_stm.py -> build/lib/ase/test
-copying ase/test/test_quaternions.py -> build/lib/ase/test
-copying ase/test/test_cutoffs.py -> build/lib/ase/test
-copying ase/test/test_isotopes.py -> build/lib/ase/test
-copying ase/test/test_mixingcalc.py -> build/lib/ase/test
-copying ase/test/test_linesearch_maxstep.py -> build/lib/ase/test
-copying ase/test/test_dependency_list.py -> build/lib/ase/test
-copying ase/test/test_xrdebye.py -> build/lib/ase/test
-copying ase/test/test_structure_comparator.py -> build/lib/ase/test
-copying ase/test/test_cluster.py -> build/lib/ase/test
-copying ase/test/test_dos.py -> build/lib/ase/test
-copying ase/test/test_distmom.py -> build/lib/ase/test
-copying ase/test/test_springcalc.py -> build/lib/ase/test
-copying ase/test/test_parsemath.py -> build/lib/ase/test
-copying ase/test/test_calc_outputs_big.py -> build/lib/ase/test
-copying ase/test/test_forcecurve.py -> build/lib/ase/test
-copying ase/test/test_doctests.py -> build/lib/ase/test
-copying ase/test/test_external_viewer.py -> build/lib/ase/test
-copying ase/test/conftest.py -> build/lib/ase/test
-copying ase/test/test_lock.py -> build/lib/ase/test
-copying ase/test/test_gromacs.py -> build/lib/ase/test
-copying ase/test/test_makebandpath.py -> build/lib/ase/test
-copying ase/test/test_calculator_equal.py -> build/lib/ase/test
-copying ase/test/test_grid_slice.py -> build/lib/ase/test
-copying ase/test/test_symbols.py -> build/lib/ase/test
-copying ase/test/test_phonons.py -> build/lib/ase/test
-copying ase/test/test_nwchem_writer.py -> build/lib/ase/test
-copying ase/test/test_stress.py -> build/lib/ase/test
-copying ase/test/factories.py -> build/lib/ase/test
-copying ase/test/test_ptable.py -> build/lib/ase/test
-copying ase/test/test_bandpath_kpts_axis.py -> build/lib/ase/test
+copying ase/build/tube.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/attach.py -> build/lib/ase/build
+creating build/lib/ase/cluster
+copying ase/cluster/__init__.py -> build/lib/ase/cluster
+copying ase/cluster/icosahedron.py -> build/lib/ase/cluster
+copying ase/cluster/cubic.py -> build/lib/ase/cluster
+copying ase/cluster/decahedron.py -> build/lib/ase/cluster
+copying ase/cluster/factory.py -> build/lib/ase/cluster
+copying ase/cluster/octahedron.py -> build/lib/ase/cluster
+copying ase/cluster/compounds.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/util.py -> build/lib/ase/cluster
+copying ase/cluster/wulff.py -> build/lib/ase/cluster
+copying ase/cluster/hexagonal.py -> build/lib/ase/cluster
+creating build/lib/ase/dft
+copying ase/dft/__init__.py -> build/lib/ase/dft
+copying ase/dft/pars_mbeef.py -> build/lib/ase/dft
+copying ase/dft/wannier.py -> build/lib/ase/dft
+copying ase/dft/band_structure.py -> build/lib/ase/dft
+copying ase/dft/bee.py -> build/lib/ase/dft
+copying ase/dft/bz.py -> build/lib/ase/dft
+copying ase/dft/bandgap.py -> build/lib/ase/dft
+copying ase/dft/wannierstate.py -> build/lib/ase/dft
+copying ase/dft/pars_beefvdw.py -> build/lib/ase/dft
+copying ase/dft/pars_mbeefvdw.py -> build/lib/ase/dft
+copying ase/dft/dos.py -> build/lib/ase/dft
+copying ase/dft/stm.py -> build/lib/ase/dft
+copying ase/dft/kpoints.py -> build/lib/ase/dft
+creating build/lib/ase/transport
+copying ase/transport/__init__.py -> build/lib/ase/transport
+copying ase/transport/selfenergy.py -> build/lib/ase/transport
+copying ase/transport/calculators.py -> 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/stm.py -> build/lib/ase/transport
 creating build/lib/ase/io
-copying ase/io/gen.py -> build/lib/ase/io
-copying ase/io/findsym.py -> build/lib/ase/io
+copying ase/io/vtkxml.py -> build/lib/ase/io
+copying ase/io/gromacs.py -> build/lib/ase/io
+copying ase/io/__init__.py -> build/lib/ase/io
 copying ase/io/bundlemanipulate.py -> build/lib/ase/io
-copying ase/io/amber.py -> build/lib/ase/io
-copying ase/io/exciting.py -> build/lib/ase/io
-copying ase/io/cp2k.py -> build/lib/ase/io
-copying ase/io/png.py -> build/lib/ase/io
-copying ase/io/xsd.py -> build/lib/ase/io
-copying ase/io/mustem.py -> build/lib/ase/io
-copying ase/io/sdf.py -> build/lib/ase/io
-copying ase/io/gpumd.py -> build/lib/ase/io
-copying ase/io/bytes.py -> build/lib/ase/io
-copying ase/io/pov.py -> build/lib/ase/io
-copying ase/io/lammpsrun.py -> build/lib/ase/io
+copying ase/io/qbox.py -> build/lib/ase/io
+copying ase/io/ulm.py -> build/lib/ase/io
 copying ase/io/cmdft.py -> build/lib/ase/io
+copying ase/io/elk.py -> build/lib/ase/io
 copying ase/io/cjson.py -> build/lib/ase/io
-copying ase/io/jsonio.py -> build/lib/ase/io
-copying ase/io/cif.py -> build/lib/ase/io
-copying ase/io/x3d.py -> build/lib/ase/io
-copying ase/io/qbox.py -> build/lib/ase/io
+copying ase/io/animation.py -> build/lib/ase/io
 copying ase/io/bundletrajectory.py -> build/lib/ase/io
-copying ase/io/wien2k.py -> build/lib/ase/io
-copying ase/io/siesta_output.py -> build/lib/ase/io
-copying ase/io/cube.py -> build/lib/ase/io
-copying ase/io/utils.py -> build/lib/ase/io
 copying ase/io/trajectory.py -> build/lib/ase/io
+copying ase/io/bytes.py -> build/lib/ase/io
+copying ase/io/sys.py -> build/lib/ase/io
+copying ase/io/nomad_json.py -> build/lib/ase/io
+copying ase/io/gpumd.py -> build/lib/ase/io
 copying ase/io/dlp4.py -> build/lib/ase/io
+copying ase/io/gpw.py -> build/lib/ase/io
+copying ase/io/bader.py -> build/lib/ase/io
 copying ase/io/gromos.py -> build/lib/ase/io
-copying ase/io/acemolecule.py -> build/lib/ase/io
-copying ase/io/gpaw_out.py -> build/lib/ase/io
-copying ase/io/dacapo.py -> build/lib/ase/io
-copying ase/io/dmol.py -> build/lib/ase/io
-copying ase/io/prismatic.py -> build/lib/ase/io
-copying ase/io/turbomole.py -> build/lib/ase/io
-copying ase/io/rmc6f.py -> build/lib/ase/io
-copying ase/io/orca.py -> build/lib/ase/io
-copying ase/io/proteindatabank.py -> build/lib/ase/io
-copying ase/io/cif_unicode.py -> build/lib/ase/io
-copying ase/io/animation.py -> build/lib/ase/io
-copying ase/io/sys.py -> build/lib/ase/io
-copying ase/io/espresso.py -> build/lib/ase/io
+copying ase/io/amber.py -> build/lib/ase/io
+copying ase/io/siesta_output.py -> build/lib/ase/io
+copying ase/io/mustem.py -> build/lib/ase/io
+copying ase/io/lammpsrun.py -> build/lib/ase/io
 copying ase/io/netcdftrajectory.py -> build/lib/ase/io
-copying ase/io/extxyz.py -> build/lib/ase/io
-copying ase/io/vtkxml.py -> build/lib/ase/io
-copying ase/io/gpw.py -> build/lib/ase/io
-copying ase/io/py.py -> build/lib/ase/io
-copying ase/io/db.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/gromacs.py -> build/lib/ase/io
-copying ase/io/aims.py -> build/lib/ase/io
-copying ase/io/xsf.py -> build/lib/ase/io
-copying ase/io/__init__.py -> build/lib/ase/io
-copying ase/io/xtd.py -> build/lib/ase/io
-copying ase/io/onetep.py -> build/lib/ase/io
-copying ase/io/siesta_input.py -> build/lib/ase/io
+copying ase/io/findsym.py -> build/lib/ase/io
+copying ase/io/mol.py -> build/lib/ase/io
+copying ase/io/wien2k.py -> build/lib/ase/io
+copying ase/io/prismatic.py -> build/lib/ase/io
+copying ase/io/proteindatabank.py -> build/lib/ase/io
+copying ase/io/sdf.py -> build/lib/ase/io
+copying ase/io/gaussian.py -> build/lib/ase/io
+copying ase/io/pov.py -> build/lib/ase/io
+copying ase/io/xyz.py -> build/lib/ase/io
 copying ase/io/pickletrajectory.py -> build/lib/ase/io
+copying ase/io/abinit.py -> build/lib/ase/io
+copying ase/io/x3d.py -> build/lib/ase/io
+copying ase/io/orca.py -> build/lib/ase/io
 copying ase/io/lammpsdata.py -> build/lib/ase/io
-copying ase/io/nomad_json.py -> build/lib/ase/io
-copying ase/io/zmatrix.py -> build/lib/ase/io
-copying ase/io/dftb.py -> build/lib/ase/io
+copying ase/io/cfg.py -> build/lib/ase/io
+copying ase/io/eon.py -> build/lib/ase/io
+copying ase/io/xsf.py -> build/lib/ase/io
+copying ase/io/formats.py -> build/lib/ase/io
+copying ase/io/exciting.py -> build/lib/ase/io
+copying ase/io/aims.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/dmol.py -> build/lib/ase/io
+copying ase/io/png.py -> build/lib/ase/io
 copying ase/io/jsv.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/gpaw_out.py -> build/lib/ase/io
+copying ase/io/xsd.py -> build/lib/ase/io
 copying ase/io/magres.py -> build/lib/ase/io
-copying ase/io/ulm.py -> build/lib/ase/io
+copying ase/io/dacapo.py -> build/lib/ase/io
+copying ase/io/py.py -> build/lib/ase/io
+copying ase/io/siesta.py -> build/lib/ase/io
+copying ase/io/zmatrix.py -> build/lib/ase/io
 copying ase/io/aff.py -> build/lib/ase/io
+copying ase/io/turbomole.py -> build/lib/ase/io
+copying ase/io/cube.py -> build/lib/ase/io
+copying ase/io/cp2k.py -> build/lib/ase/io
 copying ase/io/crystal.py -> build/lib/ase/io
-copying ase/io/mol.py -> build/lib/ase/io
+copying ase/io/cif.py -> build/lib/ase/io
+copying ase/io/espresso.py -> build/lib/ase/io
+copying ase/io/utils.py -> build/lib/ase/io
+copying ase/io/cif_unicode.py -> build/lib/ase/io
 copying ase/io/gamess_us.py -> build/lib/ase/io
+copying ase/io/xtd.py -> build/lib/ase/io
+copying ase/io/rmc6f.py -> build/lib/ase/io
+copying ase/io/wannier90.py -> build/lib/ase/io
+copying ase/io/jsonio.py -> build/lib/ase/io
+copying ase/io/onetep.py -> build/lib/ase/io
+copying ase/io/eps.py -> build/lib/ase/io
+copying ase/io/extxyz.py -> build/lib/ase/io
+copying ase/io/acemolecule.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/res.py -> build/lib/ase/io
-copying ase/io/siesta.py -> build/lib/ase/io
-copying ase/io/xyz.py -> build/lib/ase/io
-copying ase/io/gaussian.py -> build/lib/ase/io
-copying ase/io/cfg.py -> build/lib/ase/io
-copying ase/io/abinit.py -> build/lib/ase/io
-copying ase/io/elk.py -> build/lib/ase/io
+copying ase/io/dftb.py -> build/lib/ase/io
 copying ase/io/vasp.py -> build/lib/ase/io
-copying ase/io/bader.py -> build/lib/ase/io
-copying ase/io/eon.py -> build/lib/ase/io
+creating build/lib/ase/spacegroup
+copying ase/spacegroup/__init__.py -> build/lib/ase/spacegroup
+copying ase/spacegroup/crystal_data.py -> build/lib/ase/spacegroup
+copying ase/spacegroup/symmetrize.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/utils.py -> build/lib/ase/spacegroup
+creating build/lib/ase/md
+copying ase/md/velocitydistribution.py -> build/lib/ase/md
+copying ase/md/__init__.py -> build/lib/ase/md
+copying ase/md/npt.py -> build/lib/ase/md
+copying ase/md/langevin.py -> build/lib/ase/md
+copying ase/md/md.py -> build/lib/ase/md
+copying ase/md/bussi.py -> build/lib/ase/md
+copying ase/md/andersen.py -> build/lib/ase/md
+copying ase/md/nptberendsen.py -> build/lib/ase/md
+copying ase/md/contour_exploration.py -> build/lib/ase/md
+copying ase/md/verlet.py -> build/lib/ase/md
+copying ase/md/fix.py -> build/lib/ase/md
+copying ase/md/nvtberendsen.py -> build/lib/ase/md
+copying ase/md/switch_langevin.py -> build/lib/ase/md
+copying ase/md/logger.py -> build/lib/ase/md
+copying ase/md/nose_hoover_chain.py -> build/lib/ase/md
+copying ase/md/analysis.py -> build/lib/ase/md
+creating build/lib/ase/test
+copying ase/test/test_things.py -> build/lib/ase/test
+copying ase/test/test_cluster.py -> build/lib/ase/test
+copying ase/test/__init__.py -> build/lib/ase/test
+copying ase/test/test_diffusion_coefficient.py -> build/lib/ase/test
+copying ase/test/conftest.py -> build/lib/ase/test
+copying ase/test/test_timing.py -> build/lib/ase/test
+copying ase/test/test_kpts2kpts.py -> build/lib/ase/test
+copying ase/test/test_dependency_list.py -> build/lib/ase/test
+copying ase/test/test_lattice_lindep.py -> build/lib/ase/test
+copying ase/test/test_structure_comparator.py -> build/lib/ase/test
+copying ase/test/test_stress.py -> build/lib/ase/test
+copying ase/test/test_phasediagram.py -> build/lib/ase/test
+copying ase/test/test_loggingcalc.py -> build/lib/ase/test
+copying ase/test/test_zmatrix.py -> build/lib/ase/test
+copying ase/test/test_singlepointcalc.py -> build/lib/ase/test
+copying ase/test/test_doctests.py -> build/lib/ase/test
+copying ase/test/test_issue276.py -> build/lib/ase/test
+copying ase/test/test_hcp.py -> build/lib/ase/test
+copying ase/test/test_matplotlib_plot.py -> build/lib/ase/test
+copying ase/test/test_cutoffs.py -> build/lib/ase/test
+copying ase/test/test_mixingcalc.py -> build/lib/ase/test
+copying ase/test/test_calc_outputs_big.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_equal.py -> build/lib/ase/test
+copying ase/test/factories.py -> build/lib/ase/test
+copying ase/test/test_noncollinear.py -> build/lib/ase/test
+copying ase/test/test_formula.py -> build/lib/ase/test
+copying ase/test/test_units.py -> build/lib/ase/test
+copying ase/test/test_isotopes.py -> build/lib/ase/test
+copying ase/test/test_singlepoint_dft_calc.py -> build/lib/ase/test
+copying ase/test/test_bader.py -> build/lib/ase/test
+copying ase/test/test_symbols.py -> build/lib/ase/test
+copying ase/test/test_example.py -> build/lib/ase/test
+copying ase/test/test_pourbaix.py -> build/lib/ase/test
+copying ase/test/test_phonons.py -> build/lib/ase/test
+copying ase/test/testsuite.py -> build/lib/ase/test
+copying ase/test/test_gromacs.py -> build/lib/ase/test
+copying ase/test/test_ptable.py -> build/lib/ase/test
+copying ase/test/test_versionnumber.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_eos.py -> build/lib/ase/test
+copying ase/test/test_thermochemistry.py -> build/lib/ase/test
+copying ase/test/test_dimer.py -> build/lib/ase/test
+copying ase/test/test_properties.py -> build/lib/ase/test
+copying ase/test/test_distmom.py -> build/lib/ase/test
+copying ase/test/test_stm.py -> build/lib/ase/test
+copying ase/test/test_pubchem.py -> build/lib/ase/test
+copying ase/test/test_x3d.py -> build/lib/ase/test
+copying ase/test/test_nwchem_writer.py -> build/lib/ase/test
+copying ase/test/test_dos.py -> build/lib/ase/test
+copying ase/test/test_forcecurve.py -> build/lib/ase/test
+copying ase/test/test_basin.py -> build/lib/ase/test
+copying ase/test/test_makebandpath.py -> build/lib/ase/test
+copying ase/test/test_util.py -> build/lib/ase/test
+copying ase/test/test_mpi.py -> build/lib/ase/test
+copying ase/test/test_filecache.py -> build/lib/ase/test
+copying ase/test/test_parsemath.py -> build/lib/ase/test
+copying ase/test/test_xwopen.py -> build/lib/ase/test
+copying ase/test/test_linesearch_maxstep.py -> build/lib/ase/test
+copying ase/test/test_minimum_image_convention.py -> build/lib/ase/test
+copying ase/test/utils.py -> build/lib/ase/test
+copying ase/test/test_bandpath_kpts_axis.py -> build/lib/ase/test
+copying ase/test/test_grid_slice.py -> build/lib/ase/test
+copying ase/test/test_external_viewer.py -> build/lib/ase/test
+copying ase/test/test_checkpoint.py -> build/lib/ase/test
+copying ase/test/test_kpts.py -> build/lib/ase/test
+copying ase/test/test_lock.py -> build/lib/ase/test
+copying ase/test/test_pathlib_support.py -> build/lib/ase/test
+copying ase/test/test_potential_energies.py -> build/lib/ase/test
+copying ase/test/test_root_surf.py -> build/lib/ase/test
+copying ase/test/test_imports.py -> build/lib/ase/test
+copying ase/test/test_quaternions.py -> build/lib/ase/test
+copying ase/test/test_xrdebye.py -> build/lib/ase/test
+copying ase/test/test_dimer_method.py -> build/lib/ase/test
+creating build/lib/ase/data
+copying ase/data/__init__.py -> build/lib/ase/data
+copying ase/data/isotopes.py -> build/lib/ase/data
+copying ase/data/g2.py -> build/lib/ase/data
+copying ase/data/vdw_alvarez.py -> build/lib/ase/data
+copying ase/data/pubchem.py -> build/lib/ase/data
+copying ase/data/cohesive_energies.py -> build/lib/ase/data
+copying ase/data/cccbdb_ip.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/g2_1.py -> build/lib/ase/data
+copying ase/data/vdw.py -> build/lib/ase/data
+copying ase/data/s22.py -> build/lib/ase/data
+copying ase/data/g2_2.py -> build/lib/ase/data
+copying ase/data/extra_molecules.py -> build/lib/ase/data
+creating 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
+copying ase/spectrum/dosdata.py -> build/lib/ase/spectrum
+creating build/lib/ase/ga
+copying ase/ga/__init__.py -> build/lib/ase/ga
+copying ase/ga/multiprocessingrun.py -> build/lib/ase/ga
+copying ase/ga/startgenerator.py -> build/lib/ase/ga
+copying ase/ga/bulk_mutations.py -> build/lib/ase/ga
+copying ase/ga/utilities.py -> build/lib/ase/ga
+copying ase/ga/bulk_crossovers.py -> build/lib/ase/ga
+copying ase/ga/pbs_queue_run.py -> build/lib/ase/ga
+copying ase/ga/relax_attaches.py -> build/lib/ase/ga
+copying ase/ga/population.py -> build/lib/ase/ga
+copying ase/ga/element_crossovers.py -> build/lib/ase/ga
+copying ase/ga/particle_crossovers.py -> build/lib/ase/ga
+copying ase/ga/standard_comparators.py -> build/lib/ase/ga
+copying ase/ga/particle_mutations.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/cutandsplicepairing.py -> build/lib/ase/ga
+copying ase/ga/slab_operators.py -> build/lib/ase/ga
+copying ase/ga/element_mutations.py -> build/lib/ase/ga
+copying ase/ga/soft_mutation.py -> build/lib/ase/ga
+copying ase/ga/offspring_creator.py -> build/lib/ase/ga
+copying ase/ga/data.py -> build/lib/ase/ga
+copying ase/ga/convergence.py -> build/lib/ase/ga
+copying ase/ga/ofp_comparator.py -> build/lib/ase/ga
+copying ase/ga/particle_comparator.py -> build/lib/ase/ga
+copying ase/ga/standardmutations.py -> build/lib/ase/ga
+copying ase/ga/bulk_startgenerator.py -> build/lib/ase/ga
 creating 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/paraview_script.py -> build/lib/ase/visualize
+copying ase/visualize/__init__.py -> build/lib/ase/visualize
 copying ase/visualize/viewers.py -> build/lib/ase/visualize
+copying ase/visualize/paraview_script.py -> build/lib/ase/visualize
+copying ase/visualize/x3d.py -> 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/sage.py -> build/lib/ase/visualize
-copying ase/visualize/__init__.py -> build/lib/ase/visualize
-creating 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/minkowski_reduction.py -> build/lib/ase/geometry
-copying ase/geometry/geometry.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/distance.py -> build/lib/ase/geometry
-copying ase/geometry/cell.py -> build/lib/ase/geometry
+copying ase/visualize/ngl.py -> build/lib/ase/visualize
 creating build/lib/ase/db
-copying ase/db/row.py -> build/lib/ase/db
-copying ase/db/table.py -> build/lib/ase/db
+copying ase/db/__init__.py -> build/lib/ase/db
+copying ase/db/postgresql.py -> build/lib/ase/db
 copying ase/db/convert.py -> build/lib/ase/db
+copying ase/db/mysql.py -> build/lib/ase/db
 copying ase/db/cli.py -> build/lib/ase/db
-copying ase/db/app.py -> build/lib/ase/db
 copying ase/db/web.py -> build/lib/ase/db
 copying ase/db/sqlite.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/mysql.py -> build/lib/ase/db
-copying ase/db/project.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/jsondb.py -> build/lib/ase/db
-copying ase/db/postgresql.py -> build/lib/ase/db
+copying ase/db/app.py -> build/lib/ase/db
+copying ase/db/project.py -> build/lib/ase/db
+creating build/lib/ase/utils
+copying ase/utils/__init__.py -> build/lib/ase/utils
+copying ase/utils/structure_comparator.py -> build/lib/ase/utils
+copying ase/utils/parsemath.py -> build/lib/ase/utils
+copying ase/utils/ptable.py -> build/lib/ase/utils
+copying ase/utils/xrdebye.py -> build/lib/ase/utils
+copying ase/utils/cext.py -> build/lib/ase/utils
+copying ase/utils/timing.py -> build/lib/ase/utils
+copying ase/utils/filecache.py -> build/lib/ase/utils
+copying ase/utils/build_web_page.py -> build/lib/ase/utils
+copying ase/utils/newrelease.py -> build/lib/ase/utils
+copying ase/utils/arraywrapper.py -> build/lib/ase/utils
+copying ase/utils/forcecurve.py -> build/lib/ase/utils
+copying ase/utils/linesearch.py -> build/lib/ase/utils
+copying ase/utils/linesearcharmijo.py -> build/lib/ase/utils
+copying ase/utils/checkimports.py -> build/lib/ase/utils
+copying ase/utils/cube.py -> build/lib/ase/utils
+copying ase/utils/plugins.py -> build/lib/ase/utils
+copying ase/utils/abc.py -> build/lib/ase/utils
+copying ase/utils/ff.py -> build/lib/ase/utils
+copying ase/utils/plotting.py -> build/lib/ase/utils
+copying ase/utils/deltacodesdft.py -> build/lib/ase/utils
+copying ase/utils/sphinx.py -> build/lib/ase/utils
 creating build/lib/ase/cli
-copying ase/cli/exec.py -> build/lib/ase/cli
-copying ase/cli/template.py -> build/lib/ase/cli
+copying ase/cli/__init__.py -> build/lib/ase/cli
+copying ase/cli/ulm.py -> build/lib/ase/cli
 copying ase/cli/dimensionality.py -> build/lib/ase/cli
-copying ase/cli/main.py -> build/lib/ase/cli
 copying ase/cli/convert.py -> build/lib/ase/cli
+copying ase/cli/band_structure.py -> build/lib/ase/cli
+copying ase/cli/reciprocal.py -> build/lib/ase/cli
+copying ase/cli/complete.py -> build/lib/ase/cli
+copying ase/cli/db.py -> build/lib/ase/cli
+copying ase/cli/build.py -> build/lib/ase/cli
+copying ase/cli/main.py -> build/lib/ase/cli
+copying ase/cli/nomadget.py -> build/lib/ase/cli
 copying ase/cli/info.py -> build/lib/ase/cli
-copying ase/cli/find.py -> build/lib/ase/cli
 copying ase/cli/diff.py -> build/lib/ase/cli
 copying ase/cli/completion.py -> build/lib/ase/cli
-copying ase/cli/nebplot.py -> build/lib/ase/cli
-copying ase/cli/complete.py -> build/lib/ase/cli
-copying ase/cli/db.py -> build/lib/ase/cli
+copying ase/cli/template.py -> build/lib/ase/cli
 copying ase/cli/run.py -> build/lib/ase/cli
+copying ase/cli/nebplot.py -> build/lib/ase/cli
 copying ase/cli/nomad.py -> build/lib/ase/cli
-copying ase/cli/__init__.py -> build/lib/ase/cli
-copying ase/cli/build.py -> build/lib/ase/cli
-copying ase/cli/reciprocal.py -> build/lib/ase/cli
-copying ase/cli/ulm.py -> build/lib/ase/cli
-copying ase/cli/band_structure.py -> build/lib/ase/cli
-copying ase/cli/nomadget.py -> build/lib/ase/cli
-creating build/lib/ase/cluster
-copying ase/cluster/base.py -> build/lib/ase/cluster
-copying ase/cluster/icosahedron.py -> build/lib/ase/cluster
-copying ase/cluster/compounds.py -> build/lib/ase/cluster
-copying ase/cluster/hexagonal.py -> build/lib/ase/cluster
-copying ase/cluster/factory.py -> build/lib/ase/cluster
-copying ase/cluster/octahedron.py -> build/lib/ase/cluster
-copying ase/cluster/wulff.py -> build/lib/ase/cluster
-copying ase/cluster/cluster.py -> build/lib/ase/cluster
-copying ase/cluster/__init__.py -> build/lib/ase/cluster
-copying ase/cluster/decahedron.py -> build/lib/ase/cluster
-copying ase/cluster/util.py -> build/lib/ase/cluster
-copying ase/cluster/cubic.py -> build/lib/ase/cluster
-creating build/lib/ase/md
-copying ase/md/npt.py -> build/lib/ase/md
-copying ase/md/logger.py -> build/lib/ase/md
-copying ase/md/md.py -> build/lib/ase/md
-copying ase/md/nptberendsen.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/bussi.py -> build/lib/ase/md
-copying ase/md/langevin.py -> build/lib/ase/md
-copying ase/md/__init__.py -> build/lib/ase/md
-copying ase/md/verlet.py -> build/lib/ase/md
-copying ase/md/andersen.py -> build/lib/ase/md
-copying ase/md/nvtberendsen.py -> build/lib/ase/md
-copying ase/md/nose_hoover_chain.py -> build/lib/ase/md
-copying ase/md/velocitydistribution.py -> build/lib/ase/md
-copying ase/md/switch_langevin.py -> build/lib/ase/md
-copying ase/md/fix.py -> build/lib/ase/md
-creating build/lib/ase/optimize
-copying ase/optimize/sciopt.py -> build/lib/ase/optimize
-copying ase/optimize/climbfixinternals.py -> build/lib/ase/optimize
-copying ase/optimize/bfgs.py -> build/lib/ase/optimize
-copying ase/optimize/fire2.py -> build/lib/ase/optimize
-copying ase/optimize/basin.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/fire.py -> build/lib/ase/optimize
-copying ase/optimize/oldqn.py -> build/lib/ase/optimize
-copying ase/optimize/ode.py -> build/lib/ase/optimize
-copying ase/optimize/lbfgs.py -> build/lib/ase/optimize
-copying ase/optimize/__init__.py -> build/lib/ase/optimize
-copying ase/optimize/bfgslinesearch.py -> build/lib/ase/optimize
-copying ase/optimize/cellawarebfgs.py -> build/lib/ase/optimize
-copying ase/optimize/optimize.py -> build/lib/ase/optimize
-creating build/lib/ase/mep
-copying ase/mep/autoneb.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/neb.py -> build/lib/ase/mep
-copying ase/mep/dyneb.py -> build/lib/ase/mep
-creating build/lib/ase/gui
-copying ase/gui/status.py -> build/lib/ase/gui
-copying ase/gui/surfaceslab.py -> build/lib/ase/gui
-copying ase/gui/pipe.py -> build/lib/ase/gui
-copying ase/gui/utils.py -> build/lib/ase/gui
-copying ase/gui/view.py -> build/lib/ase/gui
-copying ase/gui/repeat.py -> build/lib/ase/gui
-copying ase/gui/gui.py -> build/lib/ase/gui
-copying ase/gui/defaults.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/ui.py -> build/lib/ase/gui
-copying ase/gui/widgets.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/add.py -> build/lib/ase/gui
-copying ase/gui/rotate.py -> build/lib/ase/gui
-copying ase/gui/__init__.py -> build/lib/ase/gui
-copying ase/gui/celleditor.py -> build/lib/ase/gui
-copying ase/gui/quickinfo.py -> build/lib/ase/gui
-copying ase/gui/nanotube.py -> build/lib/ase/gui
-copying ase/gui/settings.py -> build/lib/ase/gui
-copying ase/gui/render.py -> build/lib/ase/gui
-copying ase/gui/graphs.py -> build/lib/ase/gui
-copying ase/gui/modify.py -> build/lib/ase/gui
-copying ase/gui/ag.py -> build/lib/ase/gui
-copying ase/gui/save.py -> build/lib/ase/gui
-copying ase/gui/clipboard.py -> build/lib/ase/gui
-copying ase/gui/nanoparticle.py -> build/lib/ase/gui
-creating build/lib/ase/dft
-copying ase/dft/wannier.py -> build/lib/ase/dft
-copying ase/dft/pars_beefvdw.py -> build/lib/ase/dft
-copying ase/dft/pars_mbeefvdw.py -> build/lib/ase/dft
-copying ase/dft/pars_mbeef.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/bee.py -> build/lib/ase/dft
-copying ase/dft/wannierstate.py -> build/lib/ase/dft
-copying ase/dft/bz.py -> build/lib/ase/dft
-copying ase/dft/bandgap.py -> build/lib/ase/dft
-copying ase/dft/band_structure.py -> build/lib/ase/dft
-copying ase/dft/kpoints.py -> build/lib/ase/dft
-creating build/lib/ase/spectrum
-copying ase/spectrum/dosdata.py -> build/lib/ase/spectrum
-copying ase/spectrum/doscollection.py -> build/lib/ase/spectrum
-copying ase/spectrum/__init__.py -> build/lib/ase/spectrum
-copying ase/spectrum/band_structure.py -> build/lib/ase/spectrum
-creating build/lib/ase/vibrations
-copying ase/vibrations/albrecht.py -> 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/infrared.py -> build/lib/ase/vibrations
-copying ase/vibrations/vibrations.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/resonant_raman.py -> build/lib/ase/vibrations
-copying ase/vibrations/placzek.py -> build/lib/ase/vibrations
-copying ase/vibrations/franck_condon.py -> build/lib/ase/vibrations
-creating build/lib/ase/calculators
-copying ase/calculators/amber.py -> build/lib/ase/calculators
-copying ase/calculators/tip4p.py -> build/lib/ase/calculators
-copying ase/calculators/subprocesscalculator.py -> build/lib/ase/calculators
-copying ase/calculators/cp2k.py -> build/lib/ase/calculators
-copying ase/calculators/harmonic.py -> build/lib/ase/calculators
-copying ase/calculators/calculator.py -> build/lib/ase/calculators
-copying ase/calculators/tip3p.py -> build/lib/ase/calculators
-copying ase/calculators/lammpsrun.py -> build/lib/ase/calculators
-copying ase/calculators/castep.py -> build/lib/ase/calculators
-copying ase/calculators/acemolecule.py -> build/lib/ase/calculators
-copying ase/calculators/dftd3.py -> build/lib/ase/calculators
-copying ase/calculators/test.py -> build/lib/ase/calculators
-copying ase/calculators/singlepoint.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/orca.py -> build/lib/ase/calculators
-copying ase/calculators/lj.py -> build/lib/ase/calculators
-copying ase/calculators/espresso.py -> build/lib/ase/calculators
-copying ase/calculators/plumed.py -> build/lib/ase/calculators
-copying ase/calculators/lammpslib.py -> build/lib/ase/calculators
-copying ase/calculators/idealgas.py -> build/lib/ase/calculators
-copying ase/calculators/combine_mm.py -> build/lib/ase/calculators
-copying ase/calculators/mixing.py -> build/lib/ase/calculators
-copying ase/calculators/socketio.py -> build/lib/ase/calculators
-copying ase/calculators/gromacs.py -> build/lib/ase/calculators
-copying ase/calculators/names.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/mopac.py -> build/lib/ase/calculators
-copying ase/calculators/psi4.py -> build/lib/ase/calculators
-copying ase/calculators/loggingcalc.py -> build/lib/ase/calculators
-copying ase/calculators/__init__.py -> build/lib/ase/calculators
-copying ase/calculators/h2morse.py -> build/lib/ase/calculators
-copying ase/calculators/genericfileio.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/demonnano.py -> build/lib/ase/calculators
-copying ase/calculators/gulp.py -> build/lib/ase/calculators
-copying ase/calculators/fd.py -> build/lib/ase/calculators
-copying ase/calculators/dftb.py -> build/lib/ase/calculators
-copying ase/calculators/excitation_list.py -> build/lib/ase/calculators
-copying ase/calculators/bond_polarizability.py -> build/lib/ase/calculators
-copying ase/calculators/ff.py -> build/lib/ase/calculators
-copying ase/calculators/octopus.py -> build/lib/ase/calculators
-copying ase/calculators/abc.py -> build/lib/ase/calculators
-copying ase/calculators/crystal.py -> build/lib/ase/calculators
-copying ase/calculators/gamess_us.py -> build/lib/ase/calculators
-copying ase/calculators/counterions.py -> build/lib/ase/calculators
-copying ase/calculators/checkpoint.py -> build/lib/ase/calculators
-copying ase/calculators/polarizability.py -> build/lib/ase/calculators
-copying ase/calculators/gaussian.py -> build/lib/ase/calculators
-copying ase/calculators/nwchem.py -> build/lib/ase/calculators
-copying ase/calculators/qmmm.py -> build/lib/ase/calculators
-copying ase/calculators/qchem.py -> build/lib/ase/calculators
-copying ase/calculators/abinit.py -> build/lib/ase/calculators
-copying ase/calculators/elk.py -> build/lib/ase/calculators
-copying ase/calculators/eam.py -> build/lib/ase/calculators
-copying ase/calculators/morse.py -> build/lib/ase/calculators
-copying ase/calculators/acn.py -> build/lib/ase/calculators
-creating build/lib/ase/lattice
-copying ase/lattice/monoclinic.py -> build/lib/ase/lattice
-copying ase/lattice/compounds.py -> build/lib/ase/lattice
-copying ase/lattice/hexagonal.py -> build/lib/ase/lattice
-copying ase/lattice/bravais.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/tetragonal.py -> build/lib/ase/lattice
-copying ase/lattice/__init__.py -> build/lib/ase/lattice
-copying ase/lattice/cubic.py -> build/lib/ase/lattice
-creating build/lib/ase/ga
-copying ase/ga/ofp_comparator.py -> build/lib/ase/ga
-copying ase/ga/element_mutations.py -> build/lib/ase/ga
-copying ase/ga/particle_crossovers.py -> build/lib/ase/ga
-copying ase/ga/bulk_crossovers.py -> build/lib/ase/ga
-copying ase/ga/population.py -> build/lib/ase/ga
-copying ase/ga/offspring_creator.py -> build/lib/ase/ga
-copying ase/ga/bulk_utilities.py -> build/lib/ase/ga
-copying ase/ga/relax_attaches.py -> build/lib/ase/ga
-copying ase/ga/parallellocalrun.py -> build/lib/ase/ga
-copying ase/ga/particle_mutations.py -> build/lib/ase/ga
-copying ase/ga/data.py -> build/lib/ase/ga
-copying ase/ga/utilities.py -> build/lib/ase/ga
-copying ase/ga/standardmutations.py -> build/lib/ase/ga
-copying ase/ga/startgenerator.py -> build/lib/ase/ga
-copying ase/ga/bulk_startgenerator.py -> build/lib/ase/ga
-copying ase/ga/pbs_queue_run.py -> build/lib/ase/ga
-copying ase/ga/multiprocessingrun.py -> build/lib/ase/ga
-copying ase/ga/element_crossovers.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/bulk_mutations.py -> build/lib/ase/ga
-copying ase/ga/standard_comparators.py -> build/lib/ase/ga
-copying ase/ga/cutandsplicepairing.py -> build/lib/ase/ga
-copying ase/ga/slab_operators.py -> build/lib/ase/ga
-copying ase/ga/soft_mutation.py -> build/lib/ase/ga
-creating build/lib/ase/test/bandstructure
-copying ase/test/bandstructure/test_bandstructure_json.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.py -> build/lib/ase/test/bandstructure
-copying ase/test/bandstructure/test_bandstructure_many.py -> build/lib/ase/test/bandstructure
-copying ase/test/bandstructure/test_bandpath.py -> build/lib/ase/test/bandstructure
-copying ase/test/bandstructure/test_bandstructure_transform_mcl.py -> build/lib/ase/test/bandstructure
-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_spacegroup_utils.py -> build/lib/ase/test/spacegroup
-copying ase/test/spacegroup/__init__.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
-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_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_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_reduce.py -> build/lib/ase/test/bravais
-copying ase/test/bravais/__init__.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_orcc_mcl.py -> build/lib/ase/test/bravais
-copying ase/test/bravais/test_standard_form.py -> build/lib/ase/test/bravais
-creating build/lib/ase/test/cell
-copying ase/test/cell/test_supercell.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_completion.py -> build/lib/ase/test/cell
-copying ase/test/cell/test_cell.py -> build/lib/ase/test/cell
-copying ase/test/cell/__init__.py -> build/lib/ase/test/cell
-copying ase/test/cell/test_niggli.py -> build/lib/ase/test/cell
-copying ase/test/cell/test_cell_conv.py -> build/lib/ase/test/cell
-copying ase/test/cell/test_minkowski_reduce.py -> build/lib/ase/test/cell
-copying ase/test/cell/test_cell_uncompletion.py -> build/lib/ase/test/cell
-copying ase/test/cell/test_standard_form.py -> build/lib/ase/test/cell
-copying ase/test/cell/test_niggli_op.py -> build/lib/ase/test/cell
-copying ase/test/cell/test_conventional_map.py -> build/lib/ase/test/cell
-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/neb
-copying ase/test/neb/test_dynamic_neb.py -> build/lib/ase/test/neb
-copying ase/test/neb/test_COCu111.py -> build/lib/ase/test/neb
-copying ase/test/neb/test_autoneb.py -> build/lib/ase/test/neb
-copying ase/test/neb/test_COCu111_2.py -> build/lib/ase/test/neb
-copying ase/test/neb/test_shared_calculator_neb.py -> build/lib/ase/test/neb
-copying ase/test/neb/__init__.py -> build/lib/ase/test/neb
-copying ase/test/neb/test_idpp.py -> build/lib/ase/test/neb
-copying ase/test/neb/test_interpolate_images.py -> build/lib/ase/test/neb
-copying ase/test/neb/test_neb_tr.py -> build/lib/ase/test/neb
-copying ase/test/neb/test_precon_neb.py -> build/lib/ase/test/neb
+copying ase/cli/exec.py -> build/lib/ase/cli
+copying ase/cli/find.py -> build/lib/ase/cli
+creating build/lib/ase/calculators/kim
+copying ase/calculators/kim/kimmodel.py -> build/lib/ase/calculators/kim
+copying ase/calculators/kim/__init__.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/calculators.py -> build/lib/ase/calculators/kim
+copying ase/calculators/kim/kimpy_wrappers.py -> build/lib/ase/calculators/kim
+copying ase/calculators/kim/exceptions.py -> build/lib/ase/calculators/kim
+creating build/lib/ase/calculators/lammps
+copying ase/calculators/lammps/__init__.py -> build/lib/ase/calculators/lammps
+copying ase/calculators/lammps/unitconvert.py -> build/lib/ase/calculators/lammps
+copying ase/calculators/lammps/unitconvert_constants.py -> build/lib/ase/calculators/lammps
+copying ase/calculators/lammps/coordinatetransform.py -> build/lib/ase/calculators/lammps
+copying ase/calculators/lammps/inputwriter.py -> build/lib/ase/calculators/lammps
+creating 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/parameters.py -> 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/reader.py -> build/lib/ase/calculators/openmx
+copying ase/calculators/openmx/dos.py -> build/lib/ase/calculators/openmx
+creating 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/interactive.py -> build/lib/ase/calculators/vasp
+copying ase/calculators/vasp/setups.py -> build/lib/ase/calculators/vasp
+copying ase/calculators/vasp/create_input.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/vasp.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/executor.py -> build/lib/ase/calculators/turbomole
+copying ase/calculators/turbomole/writer.py -> build/lib/ase/calculators/turbomole
+copying ase/calculators/turbomole/parameters.py -> build/lib/ase/calculators/turbomole
+copying ase/calculators/turbomole/turbomole.py -> build/lib/ase/calculators/turbomole
+copying ase/calculators/turbomole/reader.py -> build/lib/ase/calculators/turbomole
+creating build/lib/ase/calculators/siesta
+copying ase/calculators/siesta/__init__.py -> build/lib/ase/calculators/siesta
+copying ase/calculators/siesta/parameters.py -> build/lib/ase/calculators/siesta
+copying ase/calculators/siesta/import_ion_xml.py -> 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
+creating build/lib/ase/calculators/demon
+copying ase/calculators/demon/__init__.py -> 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
+creating build/lib/ase/calculators/exciting
+copying ase/calculators/exciting/__init__.py -> build/lib/ase/calculators/exciting
+copying ase/calculators/exciting/exciting.py -> build/lib/ase/calculators/exciting
+copying ase/calculators/exciting/runner.py -> build/lib/ase/calculators/exciting
+creating build/lib/ase/geometry/dimensionality
+copying ase/geometry/dimensionality/__init__.py -> build/lib/ase/geometry/dimensionality
+copying ase/geometry/dimensionality/disjoint_set.py -> build/lib/ase/geometry/dimensionality
+copying ase/geometry/dimensionality/isolation.py -> build/lib/ase/geometry/dimensionality
+copying ase/geometry/dimensionality/topology_scaling.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/rank_determination.py -> build/lib/ase/geometry/dimensionality
+creating 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/lbfgs.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
+creating build/lib/ase/optimize/gpmin
+copying ase/optimize/gpmin/__init__.py -> build/lib/ase/optimize/gpmin
+copying ase/optimize/gpmin/prior.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/gpmin.py -> build/lib/ase/optimize/gpmin
+creating 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/test.py -> build/lib/ase/optimize/test
+copying ase/optimize/test/systems.py -> build/lib/ase/optimize/test
+copying ase/optimize/test/generate_rst.py -> build/lib/ase/optimize/test
+copying ase/optimize/test/analyze.py -> build/lib/ase/optimize/test
+creating build/lib/ase/io/espresso_namelist
+copying ase/io/espresso_namelist/__init__.py -> 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
+creating build/lib/ase/io/nwchem
+copying ase/io/nwchem/__init__.py -> build/lib/ase/io/nwchem
+copying ase/io/nwchem/nwreader_in.py -> build/lib/ase/io/nwchem
+copying ase/io/nwchem/parser.py -> build/lib/ase/io/nwchem
+copying ase/io/nwchem/nwreader.py -> build/lib/ase/io/nwchem
+copying ase/io/nwchem/nwwriter.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/__init__.py -> build/lib/ase/io/castep
+copying ase/io/castep/castep_input_file.py -> build/lib/ase/io/castep
+creating 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
+copying ase/io/octopus/output.py -> build/lib/ase/io/octopus
+creating build/lib/ase/io/vasp_parsers
+copying ase/io/vasp_parsers/__init__.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/incar_writer.py -> build/lib/ase/io/vasp_parsers
+creating build/lib/ase/test/emt
+copying ase/test/emt/__init__.py -> 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/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
+creating build/lib/ase/test/constraints
+copying ase/test/constraints/test_mirror.py -> build/lib/ase/test/constraints
+copying ase/test/constraints/__init__.py -> build/lib/ase/test/constraints
+copying ase/test/constraints/test_fixedmode.py -> build/lib/ase/test/constraints
+copying ase/test/constraints/test_fixscaled.py -> build/lib/ase/test/constraints
+copying ase/test/constraints/test_CO2linear_Au111.py -> build/lib/ase/test/constraints
+copying ase/test/constraints/test_fix_symmetry.py -> build/lib/ase/test/constraints
+copying ase/test/constraints/test_fixcartesian.py -> build/lib/ase/test/constraints
+copying ase/test/constraints/test_fixinternals.py -> build/lib/ase/test/constraints
+copying ase/test/constraints/test_fixsubsetcom.py -> build/lib/ase/test/constraints
+copying ase/test/constraints/test_repeat_FixAtoms.py -> build/lib/ase/test/constraints
+copying ase/test/constraints/test_getindices.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_fixcom.py -> build/lib/ase/test/constraints
+copying ase/test/constraints/test_external_force.py -> build/lib/ase/test/constraints
+copying ase/test/constraints/test_fixedline_fixedplane.py -> build/lib/ase/test/constraints
+copying ase/test/constraints/test_fixbonds.py -> build/lib/ase/test/constraints
+copying ase/test/constraints/test_parameteric_constr.py -> build/lib/ase/test/constraints
+copying ase/test/constraints/test_negativeindex.py -> build/lib/ase/test/constraints
+copying ase/test/constraints/test_setpos.py -> build/lib/ase/test/constraints
+copying ase/test/constraints/test_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_hookean.py -> build/lib/ase/test/constraints
+copying ase/test/constraints/test_fixbondlength_CO2_Au111.py -> build/lib/ase/test/constraints
+creating build/lib/ase/test/vibrations
+copying ase/test/vibrations/test_franck_condon.py -> build/lib/ase/test/vibrations
+copying ase/test/vibrations/__init__.py -> build/lib/ase/test/vibrations
+copying ase/test/vibrations/test_albrecht.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
+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_vibrations_example.py -> build/lib/ase/test/vibrations
+copying ase/test/vibrations/test_profeta_albrecht.py -> build/lib/ase/test/vibrations
+copying ase/test/vibrations/test_vib.py -> build/lib/ase/test/vibrations
+creating 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_minimize_rotation_and_translation.py -> build/lib/ase/test/build_
+copying ase/test/build_/test_surface.py -> build/lib/ase/test/build_
+copying ase/test/build_/test_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_stack.py -> build/lib/ase/test/build_
+copying ase/test/build_/test_attach.py -> build/lib/ase/test/build_
+copying ase/test/build_/test_build_bulk.py -> build/lib/ase/test/build_
+creating 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_lbfgs.py -> build/lib/ase/test/precon
+copying ase/test/precon/test_smallcell.py -> build/lib/ase/test/precon
+copying ase/test/precon/test_amin.py -> build/lib/ase/test/precon
+copying ase/test/precon/test_precon_assembly.py -> build/lib/ase/test/precon
+creating build/lib/ase/test/geometry
+copying ase/test/geometry/__init__.py -> build/lib/ase/test/geometry
+copying ase/test/geometry/test_geometry.py -> build/lib/ase/test/geometry
+copying ase/test/geometry/test_geometry_derivatives.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_dimensionality.py -> build/lib/ase/test/geometry
+copying ase/test/geometry/test_analysis.py -> build/lib/ase/test/geometry
+creating build/lib/ase/test/optimize
+copying ase/test/optimize/__init__.py -> build/lib/ase/test/optimize
+copying ase/test/optimize/test_optimizer_restart.py -> build/lib/ase/test/optimize
+copying ase/test/optimize/test_optimize_stepwise.py -> build/lib/ase/test/optimize
+copying ase/test/optimize/test_minimahop.py -> build/lib/ase/test/optimize
+copying ase/test/optimize/test_fire.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_optimizers.py -> build/lib/ase/test/optimize
+copying ase/test/optimize/test_replay.py -> build/lib/ase/test/optimize
+copying ase/test/optimize/test_nsteps.py -> build/lib/ase/test/optimize
+copying ase/test/optimize/test_cellawarebfgs.py -> build/lib/ase/test/optimize
+copying ase/test/optimize/test_bad_restart.py -> build/lib/ase/test/optimize
+copying ase/test/optimize/test_maxstep.py -> build/lib/ase/test/optimize
+copying ase/test/optimize/test_fire2.py -> build/lib/ase/test/optimize
 creating 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_vasp_structure.py -> build/lib/ase/test/fio
+copying ase/test/fio/__init__.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_cfg.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_dmol.py -> build/lib/ase/test/fio
+copying ase/test/fio/conftest.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_match_magic.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_siesta.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_atoms_bytes.py -> build/lib/ase/test/fio
 copying ase/test/fio/test_jsonio_atoms.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_ulm.py -> build/lib/ase/test/fio
 copying ase/test/fio/test_ace.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_proteindatabank.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_xsd_bond.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_gpaw.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_ulm.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_eon_readwrite.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_siesta.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_mustem.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_elk.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_fileobj.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_sdf.py -> build/lib/ase/test/fio
 copying ase/test/fio/test_compression.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_mustem.py -> build/lib/ase/test/fio
 copying ase/test/fio/test_cifblock.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_traj_bytesio.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_prismatic.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_lammpsdump.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_iread_path.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_parallel.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_cube.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_wout.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_magmom.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_nwchem.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_abinit.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_gen.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_gpumd.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_castep.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_xsd_bond.py -> build/lib/ase/test/fio
 copying ase/test/fio/test_v_sim.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.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_trajectory_heterogeneous.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_cjson.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_pdb_extra.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_pycodcif_read.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_nomad.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_dftb.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_oldtraj.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_dlp.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_oi.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_traj_bytesio.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_povray.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_eon_readwrite.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_elk.py -> build/lib/ase/test/fio
 copying ase/test/fio/test_readwrite_errors.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_turbomole.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_oi.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_formats.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_xyz.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_gpaw.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_qbox.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_trajectory.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_ulm_dummy.py -> build/lib/ase/test/fio
 copying ase/test/fio/test_gaussian.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_amber.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_magmom.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_espresso.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_prismatic.py -> build/lib/ase/test/fio
 copying ase/test/fio/test_bundletrajectory.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_json_arrays.py -> build/lib/ase/test/fio
 copying ase/test/fio/test_extxyz.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_animate.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_magres.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_proteindatabank.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_gaussian_out.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_cube.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_py.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_formats.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_nomad.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_opls.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_magres.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_gpumd.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_openmx.py -> build/lib/ase/test/fio
 copying ase/test/fio/test_ioformats.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_espresso.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_vasp_structure.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_fileobj.py -> build/lib/ase/test/fio
-copying ase/test/fio/__init__.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_cfg.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_pycodcif_read.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_dlp.py -> build/lib/ase/test/fio
 copying ase/test/fio/test_netcdftrajectory.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_amber.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_dmol.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_match_magic.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_cif.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_res.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_openmx.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_json_arrays.py -> build/lib/ase/test/fio
 copying ase/test/fio/test_orca.py -> build/lib/ase/test/fio
 copying ase/test/fio/test_espresso_ph.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_dftb.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_pdb_cell_io.py -> build/lib/ase/test/fio
-copying ase/test/fio/conftest.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_onetep.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_py.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_ulm_dummy.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_sdf.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_atoms_bytes.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_rmc6f.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_xsf_spec.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_lammpsdump.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_xyz.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_castep.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_trajectory_heterogeneous.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_animate.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_wout.py -> build/lib/ase/test/fio
 copying ase/test/fio/test_info.py -> build/lib/ase/test/fio
-copying ase/test/fio/test_gaussian_out.py -> build/lib/ase/test/fio
-creating build/lib/ase/test/atoms
-copying ase/test/atoms/test_atoms_indices.py -> build/lib/ase/test/atoms
-copying ase/test/atoms/test_rotate.py -> build/lib/ase/test/atoms
-copying ase/test/atoms/test_atoms_formula.py -> build/lib/ase/test/atoms
-copying ase/test/atoms/test_get_angles.py -> build/lib/ase/test/atoms
-copying ase/test/atoms/test_momenta_velocities.py -> build/lib/ase/test/atoms
-copying ase/test/atoms/test_h2.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_scaled_positions.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_rotate_euler.py -> build/lib/ase/test/atoms
-copying ase/test/atoms/test_atoms_getitem.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_build.py -> build/lib/ase/test/atoms
-copying ase/test/atoms/__init__.py -> build/lib/ase/test/atoms
-copying ase/test/atoms/test_atom.py -> build/lib/ase/test/atoms
-copying ase/test/atoms/test_compare_atoms.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_center.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_angle.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_atoms_distance.py -> build/lib/ase/test/atoms
-copying ase/test/atoms/test_center_nonperiodic.py -> build/lib/ase/test/atoms
-copying ase/test/atoms/test_mic.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_permute_axes.py -> build/lib/ase/test/atoms
-copying ase/test/atoms/test_atoms.py -> build/lib/ase/test/atoms
-creating build/lib/ase/test/geometry
-copying ase/test/geometry/test_geometry_derivatives.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.py -> build/lib/ase/test/geometry
-copying ase/test/geometry/__init__.py -> build/lib/ase/test/geometry
-copying ase/test/geometry/test_analysis.py -> build/lib/ase/test/geometry
-copying ase/test/geometry/test_dimensionality.py -> build/lib/ase/test/geometry
-copying ase/test/geometry/test_distance.py -> build/lib/ase/test/geometry
-creating build/lib/ase/test/db
-copying ase/test/db/test_db_web.py -> build/lib/ase/test/db
-copying ase/test/db/test_cli.py -> build/lib/ase/test/db
-copying ase/test/db/test_db2.py -> build/lib/ase/test/db
-copying ase/test/db/test_metadata.py -> build/lib/ase/test/db
-copying ase/test/db/test_sqlite.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/test_row.py -> build/lib/ase/test/db
-copying ase/test/db/test_db.py -> build/lib/ase/test/db
-copying ase/test/db/__init__.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
-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_sql_db_ext_tables.py -> build/lib/ase/test/db
-creating build/lib/ase/test/cli
-copying ase/test/cli/test_complete.py -> build/lib/ase/test/cli
-copying ase/test/cli/test_imports.py -> build/lib/ase/test/cli
-copying ase/test/cli/test_exec.py -> build/lib/ase/test/cli
-copying ase/test/cli/test_bzplot.py -> build/lib/ase/test/cli
-copying ase/test/cli/test_run.py -> build/lib/ase/test/cli
-copying ase/test/cli/test_diff.py -> build/lib/ase/test/cli
-copying ase/test/cli/test_convert.py -> build/lib/ase/test/cli
-copying ase/test/cli/__init__.py -> build/lib/ase/test/cli
-copying ase/test/cli/test_bandstructure.py -> build/lib/ase/test/cli
-copying ase/test/cli/test_dimensionality.py -> build/lib/ase/test/cli
-copying ase/test/cli/test_ag.py -> build/lib/ase/test/cli
-copying ase/test/cli/test_info.py -> build/lib/ase/test/cli
-creating 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_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/__init__.py -> build/lib/ase/test/precon
-copying ase/test/precon/test_precon_assembly.py -> build/lib/ase/test/precon
-copying ase/test/precon/test_lbfgs.py -> build/lib/ase/test/precon
-creating build/lib/ase/test/md
-copying ase/test/md/test_rng.py -> build/lib/ase/test/md
-copying ase/test/md/test_bussi.py -> build/lib/ase/test/md
-copying ase/test/md/test_maxwellboltzmann.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_langevin_asapcompat.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_potentiostat.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_fixrotation.py -> build/lib/ase/test/md
-copying ase/test/md/test_ce_curvature.py -> build/lib/ase/test/md
-copying ase/test/md/test_md.py -> build/lib/ase/test/md
-copying ase/test/md/test_ce_logging.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_md_logger.py -> build/lib/ase/test/md
-copying ase/test/md/__init__.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_idealgas.py -> build/lib/ase/test/md
-copying ase/test/md/test_nvt_npt.py -> build/lib/ase/test/md
-copying ase/test/md/test_velocity_distribution.py -> build/lib/ase/test/md
-copying ase/test/md/test_langevin_switching.py -> build/lib/ase/test/md
-creating build/lib/ase/test/optimize
-copying ase/test/optimize/test_fire2.py -> build/lib/ase/test/optimize
-copying ase/test/optimize/test_optimizer_restart.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
-copying ase/test/optimize/test_fire.py -> build/lib/ase/test/optimize
-copying ase/test/optimize/test_replay.py -> build/lib/ase/test/optimize
-copying ase/test/optimize/test_optimize_stepwise.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_nsteps.py -> build/lib/ase/test/optimize
-copying ase/test/optimize/test_optimizers.py -> build/lib/ase/test/optimize
-copying ase/test/optimize/__init__.py -> build/lib/ase/test/optimize
-copying ase/test/optimize/test_bad_restart.py -> build/lib/ase/test/optimize
-creating build/lib/ase/test/lammpsdata
-copying ase/test/lammpsdata/test_read_connectivity.py -> build/lib/ase/test/lammpsdata
-copying ase/test/lammpsdata/test_lammpsdata_read.py -> build/lib/ase/test/lammpsdata
-copying ase/test/lammpsdata/__init__.py -> build/lib/ase/test/lammpsdata
-copying ase/test/lammpsdata/test_lammpsdata_write.py -> build/lib/ase/test/lammpsdata
-copying ase/test/lammpsdata/parse_lammps_data_file.py -> build/lib/ase/test/lammpsdata
-copying ase/test/lammpsdata/conftest.py -> build/lib/ase/test/lammpsdata
-copying ase/test/lammpsdata/test_write_and_read.py -> build/lib/ase/test/lammpsdata
-copying ase/test/lammpsdata/comparison.py -> build/lib/ase/test/lammpsdata
-creating build/lib/ase/test/neighbor
-copying ase/test/neighbor/test_neighbor_kernel.py -> 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
-creating 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_build_bulk.py -> build/lib/ase/test/build_
-copying ase/test/build_/test_surface.py -> build/lib/ase/test/build_
-copying ase/test/build_/test_attach.py -> build/lib/ase/test/build_
-copying ase/test/build_/test_connected.py -> build/lib/ase/test/build_
-copying ase/test/build_/test_bulk.py -> build/lib/ase/test/build_
-copying ase/test/build_/test_surface_stack.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/fio/test_pdb_extra.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_gen.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_iread_path.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_jsonio.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_nwchem.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_rmc6f.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_abinit.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_cjson.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_cif.py -> build/lib/ase/test/fio
+copying ase/test/fio/test_onetep.py -> build/lib/ase/test/fio
 creating build/lib/ase/test/forcefields
-copying ase/test/forcefields/test_forceqmmm.py -> build/lib/ase/test/forcefields
-copying ase/test/forcefields/test_acn.py -> build/lib/ase/test/forcefields
-copying ase/test/forcefields/test_aic.py -> build/lib/ase/test/forcefields
-copying ase/test/forcefields/test_tipnp.py -> build/lib/ase/test/forcefields
-copying ase/test/forcefields/test_combine_mm2.py -> build/lib/ase/test/forcefields
-copying ase/test/forcefields/test_combine_mm.py -> build/lib/ase/test/forcefields
-copying ase/test/forcefields/test_rattle.py -> build/lib/ase/test/forcefields
-copying ase/test/forcefields/test_qmmm_acn.py -> build/lib/ase/test/forcefields
 copying ase/test/forcefields/__init__.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.py -> build/lib/ase/test/forcefields
+copying ase/test/forcefields/test_aic.py -> build/lib/ase/test/forcefields
 copying ase/test/forcefields/test_rattle_linear.py -> build/lib/ase/test/forcefields
+copying ase/test/forcefields/test_forceqmmm.py -> build/lib/ase/test/forcefields
+copying ase/test/forcefields/test_tipnp.py -> build/lib/ase/test/forcefields
 copying ase/test/forcefields/test_qmmm.py -> build/lib/ase/test/forcefields
-copying ase/test/forcefields/test_counterions.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_combine_mm.py -> build/lib/ase/test/forcefields
 copying ase/test/forcefields/test_tip4p.py -> build/lib/ase/test/forcefields
+copying ase/test/forcefields/test_combine_mm2.py -> build/lib/ase/test/forcefields
+copying ase/test/forcefields/test_qmmm_acn.py -> build/lib/ase/test/forcefields
+copying ase/test/forcefields/test_acn.py -> build/lib/ase/test/forcefields
 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
+copying ase/test/gui/test_run.py -> build/lib/ase/test/gui
+creating build/lib/ase/test/filter
+copying ase/test/filter/__init__.py -> build/lib/ase/test/filter
+copying ase/test/filter/test_cellfilter.py -> build/lib/ase/test/filter
+copying ase/test/filter/test_filter.py -> 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
+creating build/lib/ase/test/neighbor
+copying ase/test/neighbor/__init__.py -> 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
 creating build/lib/ase/test/dft
+copying ase/test/dft/__init__.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_monoclinic.py -> build/lib/ase/test/dft
-copying ase/test/dft/test_bz.py -> build/lib/ase/test/dft
 copying ase/test/dft/test_hex.py -> build/lib/ase/test/dft
-copying ase/test/dft/test_bee.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_interpolate.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/__init__.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/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_interpolate.py -> build/lib/ase/test/dft
+copying ase/test/dft/test_bz.py -> build/lib/ase/test/dft
+copying ase/test/dft/test_min_distance_monkhorst_pack.py -> build/lib/ase/test/dft
+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/__init__.py -> build/lib/ase/test/lammpsdata
+copying ase/test/lammpsdata/conftest.py -> build/lib/ase/test/lammpsdata
+copying ase/test/lammpsdata/test_write_and_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/test_read_connectivity.py -> build/lib/ase/test/lammpsdata
+copying ase/test/lammpsdata/test_lammpsdata_read.py -> build/lib/ase/test/lammpsdata
+copying ase/test/lammpsdata/parse_lammps_data_file.py -> build/lib/ase/test/lammpsdata
+creating build/lib/ase/test/spacegroup
+copying ase/test/spacegroup/__init__.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.py -> build/lib/ase/test/spacegroup
+copying ase/test/spacegroup/test_minerals.py -> build/lib/ase/test/spacegroup
+copying ase/test/spacegroup/test_spacegroup_crystal.py -> build/lib/ase/test/spacegroup
+copying ase/test/spacegroup/test_space_group_data.py -> build/lib/ase/test/spacegroup
+creating build/lib/ase/test/md
+copying ase/test/md/__init__.py -> build/lib/ase/test/md
+copying ase/test/md/test_ce_logging.py -> build/lib/ase/test/md
+copying ase/test/md/test_idealgas.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_nvt_npt.py -> build/lib/ase/test/md
+copying ase/test/md/test_rng.py -> build/lib/ase/test/md
+copying ase/test/md/test_langevin_com.py -> build/lib/ase/test/md
+copying ase/test/md/test_velocity_distribution.py -> build/lib/ase/test/md
+copying ase/test/md/test_maxwellboltzmann.py -> build/lib/ase/test/md
+copying ase/test/md/test_fixrotation.py -> build/lib/ase/test/md
+copying ase/test/md/test_bussi.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_curvature.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_langevin_switching.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_phonon_md_init.py -> build/lib/ase/test/md
+copying ase/test/md/test_ce_potentiostat.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_interval.py -> build/lib/ase/test/md
+copying ase/test/md/test_langevin_asapcompat.py -> build/lib/ase/test/md
 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
+copying ase/test/spectrum/test_dosdata.py -> build/lib/ase/test/spectrum
+copying ase/test/spectrum/test_doscollection.py -> build/lib/ase/test/spectrum
 creating 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_lj.py -> build/lib/ase/test/calculator
-copying ase/test/calculator/test_traj.py -> build/lib/ase/test/calculator
+copying ase/test/calculator/test_fd.py -> build/lib/ase/test/calculator
+copying ase/test/calculator/__init__.py -> build/lib/ase/test/calculator
+copying ase/test/calculator/test_mopac.py -> build/lib/ase/test/calculator
+copying ase/test/calculator/conftest.py -> build/lib/ase/test/calculator
 copying ase/test/calculator/test_command.py -> build/lib/ase/test/calculator
 copying ase/test/calculator/test_h2.py -> build/lib/ase/test/calculator
 copying ase/test/calculator/test_ts09.py -> build/lib/ase/test/calculator
+copying ase/test/calculator/test_eam_run.py -> build/lib/ase/test/calculator
+copying ase/test/calculator/test_polarizability.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_subprocess_calculator.py -> build/lib/ase/test/calculator
-copying ase/test/calculator/test_gulp_opt.py -> build/lib/ase/test/calculator
-copying ase/test/calculator/test_mopac_version.py -> build/lib/ase/test/calculator
-copying ase/test/calculator/test_mopac.py -> build/lib/ase/test/calculator
-copying ase/test/calculator/test_fd.py -> build/lib/ase/test/calculator
-copying ase/test/calculator/test_si_stress.py -> build/lib/ase/test/calculator
-copying ase/test/calculator/__init__.py -> build/lib/ase/test/calculator
 copying ase/test/calculator/test_al.py -> build/lib/ase/test/calculator
-copying ase/test/calculator/test_eam_run.py -> build/lib/ase/test/calculator
-copying ase/test/calculator/test_calculator.py -> build/lib/ase/test/calculator
-copying ase/test/calculator/test_orca.py -> build/lib/ase/test/calculator
-copying ase/test/calculator/test_h2morse.py -> build/lib/ase/test/calculator
-copying ase/test/calculator/test_harmonic.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/conftest.py -> build/lib/ase/test/calculator
-copying ase/test/calculator/test_bond_polarizability.py -> build/lib/ase/test/calculator
-copying ase/test/calculator/test_morse.py -> build/lib/ase/test/calculator
 copying ase/test/calculator/test_eam.py -> build/lib/ase/test/calculator
 copying ase/test/calculator/test_dftd3.py -> build/lib/ase/test/calculator
-creating 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_franck_condon.py -> build/lib/ase/test/vibrations
-copying ase/test/vibrations/test_vibrations_example.py -> build/lib/ase/test/vibrations
-copying ase/test/vibrations/test_pickle2json.py -> build/lib/ase/test/vibrations
-copying ase/test/vibrations/test_vib.py -> build/lib/ase/test/vibrations
-copying ase/test/vibrations/test_placzek.py -> build/lib/ase/test/vibrations
-copying ase/test/vibrations/test_albrecht.py -> build/lib/ase/test/vibrations
-copying ase/test/vibrations/test_folding.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
-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/constraints
-copying ase/test/constraints/test_mirror.py -> build/lib/ase/test/constraints
-copying ase/test/constraints/test_negativeindex.py -> build/lib/ase/test/constraints
-copying ase/test/constraints/test_fixbondlength_CO2_Au111.py -> build/lib/ase/test/constraints
-copying ase/test/constraints/test_repeat_FixAtoms.py -> build/lib/ase/test/constraints
-copying ase/test/constraints/test_fixbonds.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_hookean_pbc.py -> build/lib/ase/test/constraints
-copying ase/test/constraints/test_parameteric_constr.py -> build/lib/ase/test/constraints
-copying ase/test/constraints/test_external_force.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_getindices.py -> build/lib/ase/test/constraints
-copying ase/test/constraints/test_fix_symmetry.py -> build/lib/ase/test/constraints
-copying ase/test/constraints/test_fixscaled.py -> build/lib/ase/test/constraints
-copying ase/test/constraints/__init__.py -> build/lib/ase/test/constraints
-copying ase/test/constraints/test_fixsubsetcom.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_CO2linear_Au111.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_fixcom.py -> build/lib/ase/test/constraints
-copying ase/test/constraints/test_setpos.py -> build/lib/ase/test/constraints
-creating build/lib/ase/test/emt
-copying ase/test/emt/test_emt_h3o2m.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/emt/__init__.py -> build/lib/ase/test/emt
-copying ase/test/emt/test_emt1.py -> build/lib/ase/test/emt
-creating 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_strain_emt.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
+copying ase/test/calculator/test_orca_qmmm.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_harmonic.py -> build/lib/ase/test/calculator
+copying ase/test/calculator/test_h2morse.py -> build/lib/ase/test/calculator
+copying ase/test/calculator/test_orca.py -> build/lib/ase/test/calculator
+copying ase/test/calculator/test_calculator.py -> build/lib/ase/test/calculator
+copying ase/test/calculator/test_gulp_opt.py -> build/lib/ase/test/calculator
+copying ase/test/calculator/test_ch4_energy.py -> build/lib/ase/test/calculator
+copying ase/test/calculator/test_mopac_version.py -> build/lib/ase/test/calculator
+copying ase/test/calculator/test_subprocess_calculator.py -> build/lib/ase/test/calculator
+copying ase/test/calculator/test_lj.py -> build/lib/ase/test/calculator
+copying ase/test/calculator/test_si_stress.py -> build/lib/ase/test/calculator
+creating 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.py -> build/lib/ase/test/atoms
+copying ase/test/atoms/test_center.py -> build/lib/ase/test/atoms
+copying ase/test/atoms/test_scaled_positions.py -> build/lib/ase/test/atoms
+copying ase/test/atoms/test_momenta_velocities.py -> build/lib/ase/test/atoms
+copying ase/test/atoms/test_atoms_indices.py -> build/lib/ase/test/atoms
+copying ase/test/atoms/test_build.py -> build/lib/ase/test/atoms
+copying ase/test/atoms/test_h2.py -> build/lib/ase/test/atoms
+copying ase/test/atoms/test_atoms_instantiation.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_info_copy.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_rotate_euler.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_atom_scaled_pos.py -> build/lib/ase/test/atoms
+copying ase/test/atoms/test_center_nonperiodic.py -> build/lib/ase/test/atoms
+copying ase/test/atoms/test_rotate.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_getitem.py -> build/lib/ase/test/atoms
+copying ase/test/atoms/test_permute_axes.py -> build/lib/ase/test/atoms
+copying ase/test/atoms/test_mic.py -> build/lib/ase/test/atoms
+copying ase/test/atoms/test_atoms_formula.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_angle.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.py -> build/lib/ase/test/atoms
 creating build/lib/ase/test/ga
-copying ase/test/ga/test_cutandsplicepairing.py -> build/lib/ase/test/ga
-copying ase/test/ga/test_film_operators.py -> build/lib/ase/test/ga
-copying ase/test/ga/test_standardcomparator.py -> build/lib/ase/test/ga
-copying ase/test/ga/test_create_database.py -> build/lib/ase/test/ga
-copying ase/test/ga/test_bulk_operators.py -> build/lib/ase/test/ga
+copying ase/test/ga/__init__.py -> build/lib/ase/test/ga
 copying ase/test/ga/test_slab_operators.py -> build/lib/ase/test/ga
+copying ase/test/ga/test_standardcomparator.py -> build/lib/ase/test/ga
+copying ase/test/ga/test_element_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_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_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_particle_mutations.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_particle_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_element_operators.py -> build/lib/ase/test/ga
+copying ase/test/ga/test_particle_mutations.py -> build/lib/ase/test/ga
+copying ase/test/ga/test_film_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_particle_comparators.py -> build/lib/ase/test/ga
+copying ase/test/ga/test_mutations.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
+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/db
+copying ase/test/db/__init__.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_mysql.py -> build/lib/ase/test/db
+copying ase/test/db/test_jsondb.py -> build/lib/ase/test/db
+copying ase/test/db/test_o2b2o.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_db.py -> build/lib/ase/test/db
+copying ase/test/db/test_db2.py -> build/lib/ase/test/db
+copying ase/test/db/test_metadata.py -> build/lib/ase/test/db
+copying ase/test/db/test_row.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
+copying ase/test/db/test_db_web.py -> build/lib/ase/test/db
+creating build/lib/ase/test/bravais
+copying ase/test/bravais/__init__.py -> build/lib/ase/test/bravais
+copying ase/test/bravais/test_line_lattice.py -> 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_reduce.py -> build/lib/ase/test/bravais
+copying ase/test/bravais/test_lattices.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_eps.py -> build/lib/ase/test/bravais
+copying ase/test/bravais/test_orcc_mcl.py -> build/lib/ase/test/bravais
+copying ase/test/bravais/test_standard_form.py -> build/lib/ase/test/bravais
+creating 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_cell_uncompletion.py -> build/lib/ase/test/cell
+copying ase/test/cell/test_cell.py -> build/lib/ase/test/cell
+copying ase/test/cell/test_cell_conv.py -> build/lib/ase/test/cell
+copying ase/test/cell/test_niggli.py -> build/lib/ase/test/cell
+copying ase/test/cell/test_minkowski_reduce.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_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
+creating build/lib/ase/test/neb
+copying ase/test/neb/__init__.py -> build/lib/ase/test/neb
+copying ase/test/neb/test_idpp.py -> build/lib/ase/test/neb
+copying ase/test/neb/test_COCu111_2.py -> build/lib/ase/test/neb
+copying ase/test/neb/test_neb_tr.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/test_autoneb.py -> build/lib/ase/test/neb
+copying ase/test/neb/test_dynamic_neb.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
+creating build/lib/ase/test/bandstructure
+copying ase/test/bandstructure/__init__.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_resolve_custom_kpoints.py -> build/lib/ase/test/bandstructure
+copying ase/test/bandstructure/test_bandstructure.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
+creating build/lib/ase/test/cli
+copying ase/test/cli/__init__.py -> build/lib/ase/test/cli
+copying ase/test/cli/test_run.py -> build/lib/ase/test/cli
+copying ase/test/cli/test_convert.py -> build/lib/ase/test/cli
+copying ase/test/cli/test_exec.py -> 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_bandstructure.py -> build/lib/ase/test/cli
+copying ase/test/cli/test_bzplot.py -> build/lib/ase/test/cli
+copying ase/test/cli/test_diff.py -> build/lib/ase/test/cli
+copying ase/test/cli/test_ag.py -> build/lib/ase/test/cli
+copying ase/test/cli/test_info.py -> build/lib/ase/test/cli
+copying ase/test/cli/test_imports.py -> build/lib/ase/test/cli
+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
 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
-creating 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_read_vasp_xml.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_poscar.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_poscar.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/octopus/test_output.py -> build/lib/ase/test/fio/octopus
 creating 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_geometry.py -> 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_write_control.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_chunks.py -> build/lib/ase/test/fio/aims
+creating 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_read_vasp_xml.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_vasp_poscar.py -> 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_incar_writer.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/castep
-copying ase/test/fio/castep/test_read_bands.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/__init__.py -> build/lib/ase/test/fio/castep
-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/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/gamess_us/__init__.py -> build/lib/ase/test/calculator/gamess_us
+copying ase/test/fio/exciting/test_exciting.py -> build/lib/ase/test/fio/exciting
 creating 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_update_neighbor_parameters.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_multi_neighlist.py -> build/lib/ase/test/calculator/kim
-copying ase/test/calculator/kim/test_relax.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/__init__.py -> build/lib/ase/test/calculator/kim
+copying ase/test/calculator/kim/test_relax.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_cutoff_skin.py -> build/lib/ase/test/calculator/kim
 copying ase/test/calculator/kim/test_energy_forces_stress.py -> build/lib/ase/test/calculator/kim
-creating build/lib/ase/test/calculator/amber
-copying ase/test/calculator/amber/__init__.py -> build/lib/ase/test/calculator/amber
-copying ase/test/calculator/amber/test_amber.py -> build/lib/ase/test/calculator/amber
-creating 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
-copying ase/test/calculator/demon/test_h2o_xas_xes.py -> build/lib/ase/test/calculator/demon
+copying ase/test/calculator/kim/test_multi_neighlist.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_modify_parameters.py -> build/lib/ase/test/calculator/kim
+copying ase/test/calculator/kim/test_update_coords.py -> build/lib/ase/test/calculator/kim
+creating build/lib/ase/test/calculator/lammps
+copying ase/test/calculator/lammps/__init__.py -> build/lib/ase/test/calculator/lammps
+copying ase/test/calculator/lammps/test_prism.py -> build/lib/ase/test/calculator/lammps
 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/__init__.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/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_stress.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_dcd.py -> build/lib/ase/test/calculator/cp2k
+creating 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_
+copying ase/test/calculator/gpaw_/test_read_text_output.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/dftb
+copying ase/test/calculator/dftb/__init__.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/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_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_dftb_relax_bulk.py -> build/lib/ase/test/calculator/dftb
+creating build/lib/ase/test/calculator/plumed
+copying ase/test/calculator/plumed/__init__.py -> build/lib/ase/test/calculator/plumed
+copying ase/test/calculator/plumed/test_plumed.py -> build/lib/ase/test/calculator/plumed
+creating 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.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/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
+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
+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
+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/__init__.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_ipi_protocol_bfgs.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/test_integration.py -> build/lib/ase/test/calculator/socketio
+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
+copying ase/test/calculator/dmol/test_water_dmol.py -> build/lib/ase/test/calculator/dmol
+creating 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_parser.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_cmdline.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_multitask.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_bands.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_eigenvalues.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_spin_symmetry.py -> build/lib/ase/test/calculator/nwchem
+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/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/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/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/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/lammpslib
+copying ase/test/calculator/lammpslib/__init__.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_lammpslib_simple.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_Pt_stress_cellopt.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/test_lammpslib_neighlist_bug.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/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_H2O_aims.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/vasp
-copying ase/test/calculator/vasp/test_chgcar.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/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_get_dos.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/conftest.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_co.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_setup.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/filecmp_ignore_whitespace.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_charge.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_errors.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/test_vasp_freq.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/__init__.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_kpoints.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_chgcar.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_incar.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_kpoints.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_charge.py -> build/lib/ase/test/calculator/vasp
-copying ase/test/calculator/vasp/test_vasp_errors.py -> build/lib/ase/test/calculator/vasp
-creating 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_bulk.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/lammpsrun
-copying ase/test/calculator/lammpsrun/test_Pt_stress_cellopt.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_NaCl_minimize.py -> 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/__init__.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/test_Ar_minimize.py -> build/lib/ase/test/calculator/lammpsrun
+copying ase/test/calculator/vasp/test_version.py -> build/lib/ase/test/calculator/vasp
+creating build/lib/ase/test/calculator/gromacs
+copying ase/test/calculator/gromacs/__init__.py -> build/lib/ase/test/calculator/gromacs
+copying ase/test/calculator/gromacs/test_gromacs.py -> build/lib/ase/test/calculator/gromacs
+creating build/lib/ase/test/calculator/amber
+copying ase/test/calculator/amber/__init__.py -> build/lib/ase/test/calculator/amber
+copying ase/test/calculator/amber/test_amber.py -> build/lib/ase/test/calculator/amber
+creating 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/abinit/test_abinit_cmdline.py -> build/lib/ase/test/calculator/abinit
+creating 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_2h2o.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_calculator.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_reader.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_h3o2m.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_qmmm.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_h2o.py -> build/lib/ase/test/calculator/turbomole
 creating 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
 copying ase/test/calculator/siesta/__init__.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_bandstructure.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/test_siesta_zmat.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_dos.py -> build/lib/ase/test/calculator/siesta
-copying ase/test/calculator/siesta/test_siesta_read_eigenvalues.py -> build/lib/ase/test/calculator/siesta
-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/__init__.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
-creating 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/test_dftb_bandstructure.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_xtb_static.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/__init__.py -> build/lib/ase/test/calculator/dftb
-copying ase/test/calculator/dftb/test_dftb_relax_dimer.py -> build/lib/ase/test/calculator/dftb
-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
+copying ase/test/calculator/siesta/test_bandstructure.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/lammpsrun
+copying ase/test/calculator/lammpsrun/__init__.py -> 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_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
+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_NaCl_minimize.py -> build/lib/ase/test/calculator/lammpsrun
+creating 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
+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
+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/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
+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_xas_xes.py -> build/lib/ase/test/calculator/demon
+copying ase/test/calculator/demon/test_h2o.py -> build/lib/ase/test/calculator/demon
 creating 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/test_runner.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/conftest.py -> build/lib/ase/test/calculator/exciting
-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/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/turbomole
-copying ase/test/calculator/turbomole/test_turbomole_h3o2m.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_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_qmmm.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_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_2h2o.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_optimizer.py -> build/lib/ase/test/calculator/turbomole
-creating build/lib/ase/test/calculator/castep
-copying ase/test/calculator/castep/test_castep_interface.py -> build/lib/ase/test/calculator/castep
-copying ase/test/calculator/castep/__init__.py -> build/lib/ase/test/calculator/castep
-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/__init__.py -> build/lib/ase/test/calculator/abinit
-copying ase/test/calculator/abinit/test_abinit_cmdline.py -> build/lib/ase/test/calculator/abinit
-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_/test_wannier.py -> build/lib/ase/test/calculator/gpaw_
-copying ase/test/calculator/gpaw_/__init__.py -> build/lib/ase/test/calculator/gpaw_
-creating build/lib/ase/test/calculator/qchem
-copying ase/test/calculator/qchem/test_qchem_calculator.py -> build/lib/ase/test/calculator/qchem
-copying ase/test/calculator/qchem/__init__.py -> build/lib/ase/test/calculator/qchem
-creating build/lib/ase/test/calculator/gromacs
-copying ase/test/calculator/gromacs/__init__.py -> build/lib/ase/test/calculator/gromacs
-copying ase/test/calculator/gromacs/test_gromacs.py -> build/lib/ase/test/calculator/gromacs
-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_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_eigenvalues.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_h3o2m.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_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_parser.py -> build/lib/ase/test/calculator/nwchem
-copying ase/test/calculator/nwchem/test_nwchem_broken_symmetry.py -> build/lib/ase/test/calculator/nwchem
-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/openmx
-copying ase/test/calculator/openmx/test_version.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/__init__.py -> build/lib/ase/test/calculator/openmx
-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/test_ace_calculator.py -> build/lib/ase/test/calculator/ace
-copying ase/test/calculator/ace/__init__.py -> build/lib/ase/test/calculator/ace
-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/socketio
-copying ase/test/calculator/socketio/test_ipi_protocol_bfgs.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/test_python_interface.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/__init__.py -> build/lib/ase/test/calculator/socketio
-copying ase/test/calculator/socketio/test_integration.py -> build/lib/ase/test/calculator/socketio
-creating 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_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
-copying ase/test/calculator/lammpslib/test_lammpslib_small_nonperiodic.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_neighlist_bug.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_lammpslib_simple.py -> build/lib/ase/test/calculator/lammpslib
+copying ase/test/calculator/exciting/test_exciting.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/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/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/gaussian
-copying ase/test/calculator/gaussian/test_water.py -> 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_optimizer_irc.py -> build/lib/ase/test/calculator/gaussian
-copying ase/test/calculator/gaussian/__init__.py -> build/lib/ase/test/calculator/gaussian
+copying ase/test/calculator/espresso/test_espresso.py -> build/lib/ase/test/calculator/espresso
+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
-copying ase/test/calculator/siesta/lrtddft/__init__.py -> build/lib/ase/test/calculator/siesta/lrtddft
-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/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/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/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
+copying ase/test/calculator/siesta/test_scripts/CH4/script.py -> build/lib/ase/test/calculator/siesta/test_scripts/CH4
+creating 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
+copying ase/test/calculator/siesta/test_scripts/Si/script.py -> build/lib/ase/test/calculator/siesta/test_scripts/Si
 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/test_scripts/H2/script.py -> build/lib/ase/test/calculator/siesta/test_scripts/H2
+creating 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
+copying ase/test/calculator/siesta/test_scripts/Na8/script.py -> build/lib/ase/test/calculator/siesta/test_scripts/Na8
 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/io/octopus
-copying ase/io/octopus/input.py -> build/lib/ase/io/octopus
-copying ase/io/octopus/output.py -> build/lib/ase/io/octopus
-copying ase/io/octopus/__init__.py -> build/lib/ase/io/octopus
-creating build/lib/ase/io/castep
-copying ase/io/castep/castep_input_file.py -> build/lib/ase/io/castep
-copying ase/io/castep/castep_reader.py -> build/lib/ase/io/castep
-copying ase/io/castep/__init__.py -> build/lib/ase/io/castep
-creating build/lib/ase/io/nwchem
-copying ase/io/nwchem/nwwriter.py -> build/lib/ase/io/nwchem
-copying ase/io/nwchem/parser.py -> build/lib/ase/io/nwchem
-copying ase/io/nwchem/nwreader.py -> build/lib/ase/io/nwchem
-copying ase/io/nwchem/__init__.py -> build/lib/ase/io/nwchem
-copying ase/io/nwchem/nwreader_in.py -> build/lib/ase/io/nwchem
-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/__init__.py -> build/lib/ase/io/vasp_parsers
-copying ase/io/vasp_parsers/vasp_outcar_parsers.py -> build/lib/ase/io/vasp_parsers
-creating build/lib/ase/io/espresso_namelist
-copying ase/io/espresso_namelist/namelist.py -> build/lib/ase/io/espresso_namelist
-copying ase/io/espresso_namelist/keys.py -> build/lib/ase/io/espresso_namelist
-copying ase/io/espresso_namelist/__init__.py -> build/lib/ase/io/espresso_namelist
-creating build/lib/ase/geometry/dimensionality
-copying ase/geometry/dimensionality/disjoint_set.py -> build/lib/ase/geometry/dimensionality
-copying ase/geometry/dimensionality/topology_scaling.py -> build/lib/ase/geometry/dimensionality
-copying ase/geometry/dimensionality/isolation.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/rank_determination.py -> build/lib/ase/geometry/dimensionality
-creating build/lib/ase/optimize/gpmin
-copying ase/optimize/gpmin/kernel.py -> build/lib/ase/optimize/gpmin
-copying ase/optimize/gpmin/prior.py -> build/lib/ase/optimize/gpmin
-copying ase/optimize/gpmin/gp.py -> build/lib/ase/optimize/gpmin
-copying ase/optimize/gpmin/__init__.py -> build/lib/ase/optimize/gpmin
-copying ase/optimize/gpmin/gpmin.py -> build/lib/ase/optimize/gpmin
-creating build/lib/ase/optimize/test
-copying ase/optimize/test/systems.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/generate_rst.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
-creating 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/lbfgs.py -> build/lib/ase/optimize/precon
-copying ase/optimize/precon/__init__.py -> build/lib/ase/optimize/precon
-creating build/lib/ase/calculators/kim
-copying ase/calculators/kim/kim.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/__init__.py -> build/lib/ase/calculators/kim
-copying ase/calculators/kim/neighborlist.py -> build/lib/ase/calculators/kim
-copying ase/calculators/kim/exceptions.py -> build/lib/ase/calculators/kim
-copying ase/calculators/kim/kimmodel.py -> build/lib/ase/calculators/kim
-creating 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
-copying ase/calculators/demon/demon_io.py -> build/lib/ase/calculators/demon
-creating build/lib/ase/calculators/vasp
-copying ase/calculators/vasp/setups.py -> build/lib/ase/calculators/vasp
-copying ase/calculators/vasp/vasp2.py -> build/lib/ase/calculators/vasp
-copying ase/calculators/vasp/create_input.py -> build/lib/ase/calculators/vasp
-copying ase/calculators/vasp/__init__.py -> build/lib/ase/calculators/vasp
-copying ase/calculators/vasp/vasp_data.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
-copying ase/calculators/vasp/vasp.py -> build/lib/ase/calculators/vasp
-creating build/lib/ase/calculators/siesta
-copying ase/calculators/siesta/import_ion_xml.py -> build/lib/ase/calculators/siesta
-copying ase/calculators/siesta/parameters.py -> build/lib/ase/calculators/siesta
-copying ase/calculators/siesta/siesta_lrtddft.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/exciting.py -> build/lib/ase/calculators/exciting
-copying ase/calculators/exciting/runner.py -> build/lib/ase/calculators/exciting
-copying ase/calculators/exciting/__init__.py -> build/lib/ase/calculators/exciting
-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/inputwriter.py -> build/lib/ase/calculators/lammps
-copying ase/calculators/lammps/unitconvert_constants.py -> build/lib/ase/calculators/lammps
-creating 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
-copying ase/calculators/turbomole/turbomole.py -> build/lib/ase/calculators/turbomole
-copying ase/calculators/turbomole/__init__.py -> build/lib/ase/calculators/turbomole
-copying ase/calculators/turbomole/reader.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/parameters.py -> build/lib/ase/calculators/openmx
-copying ase/calculators/openmx/dos.py -> build/lib/ase/calculators/openmx
-copying ase/calculators/openmx/__init__.py -> build/lib/ase/calculators/openmx
-copying ase/calculators/openmx/default_settings.py -> build/lib/ase/calculators/openmx
-copying ase/calculators/openmx/reader.py -> build/lib/ase/calculators/openmx
-copying ase/calculators/openmx/writer.py -> build/lib/ase/calculators/openmx
 running egg_info
 creating ase.egg-info
 writing ase.egg-info/PKG-INFO
@@ -3001,99 +3037,100 @@
 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/g2.json -> build/lib/ase/collections
+copying ase/collections/dcdft.json -> build/lib/ase/collections
 copying ase/collections/s22.json -> build/lib/ase/collections
 creating build/lib/ase/db/templates
 copying ase/db/templates/js.html -> build/lib/ase/db/templates
-copying ase/db/templates/search.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
 copying ase/db/templates/row.html -> build/lib/ase/db/templates
+copying ase/db/templates/style.html -> build/lib/ase/db/templates
 copying ase/db/templates/layout.html -> build/lib/ase/db/templates
+copying ase/db/templates/search.html -> build/lib/ase/db/templates
 creating build/lib/ase/db/static
+copying ase/db/static/row.js -> build/lib/ase/db/static
 copying ase/db/static/search.js -> 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/test/pytest.ini -> build/lib/ase/test
+creating build/lib/ase/test/testdata
+copying ase/test/testdata/opls_structure_ext.xyz -> build/lib/ase/test/testdata
+copying ase/test/testdata/qbox_test.xml -> 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/rotated_bz.png -> 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_nested.dat -> build/lib/ase/test/testdata
+copying ase/test/testdata/onetep_include.dat -> build/lib/ase/test/testdata
+creating 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/io/eon/single.con -> build/lib/ase/test/testdata/io/eon
+creating 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_9017338.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_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_9004112.cif -> build/lib/ase/test/testdata/minerals
+copying ase/test/testdata/lammpslib_simple_input.data -> build/lib/ase/test/testdata
+copying ase/test/testdata/gpaw_expected_text_output -> build/lib/ase/test/testdata
 creating 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/octopus/periodic_systems_03-sodium_chain.02-unocc_eigenvalues -> 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_30-stress.05-output_scf_info -> build/lib/ase/test/testdata/octopus
-copying ase/test/testdata/large_atoms.magres -> build/lib/ase/test/testdata
-copying ase/test/testdata/onetep_include.dat -> build/lib/ase/test/testdata
+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
+creating build/lib/ase/test/testdata/aims
+copying ase/test/testdata/aims/md.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/DFPT_dielectric.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/numerical_stress.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/relax.out -> build/lib/ase/test/testdata/aims
+copying ase/test/testdata/aims/polarization.out -> build/lib/ase/test/testdata/aims
 creating 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/vasp/convergence_OUTCAR_y_y -> build/lib/ase/test/testdata/vasp
-copying ase/test/testdata/vasp/OUTCAR_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/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/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/vasprun_dfpt.xml -> build/lib/ase/test/testdata/vasp
+copying ase/test/testdata/nomad-images.nomad-json -> build/lib/ase/test/testdata
+copying ase/test/testdata/lammpsdata_input.data -> 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
-copying ase/test/testdata/lammpslib_simple_input.data -> build/lib/ase/test/testdata
-copying ase/test/testdata/onetep_include_nested.dat -> build/lib/ase/test/testdata
-creating build/lib/ase/test/testdata/aims
-copying ase/test/testdata/aims/relax.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/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/socket.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/singlepoint.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/md.out -> build/lib/ase/test/testdata/aims
+copying ase/test/testdata/large_atoms.magres -> build/lib/ase/test/testdata
 copying ase/test/testdata/README.md -> build/lib/ase/test/testdata
-copying ase/test/testdata/nomad-images.nomad-json -> 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/gpaw_expected_text_output -> 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/qbox_test.xml -> build/lib/ase/test/testdata
-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
-copying ase/test/testdata/opls_structure_ext.xyz -> build/lib/ase/test/testdata
-copying ase/test/testdata/rotated_bz.png -> build/lib/ase/test/testdata
-creating 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_1010930.cif -> 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_9017338.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_1010995.cif -> build/lib/ase/test/testdata/minerals
-copying ase/test/testdata/lammpsdata_input.data -> build/lib/ase/test/testdata
 copying ase/test/testdata/172_defs.par -> build/lib/ase/test/testdata
 copying ase/test/testdata/qbox_04_md_ntc.reference.xml -> 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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/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/ru/LC_MESSAGES
 copying ase/gui/po/ru/LC_MESSAGES/ag.po -> build/lib/ase/gui/po/ru/LC_MESSAGES
 msgfmt (GNU gettext-tools) 0.23.1
@@ -3140,1391 +3177,1391 @@
 running install_lib
 creating build/bdist.linux-x86_64/wheel
 creating build/bdist.linux-x86_64/wheel/ase
-copying build/lib/ase/quaternions.py -> build/bdist.linux-x86_64/wheel/./ase
-copying build/lib/ase/config.py -> build/bdist.linux-x86_64/wheel/./ase
-creating build/bdist.linux-x86_64/wheel/ase/spacegroup
-copying build/lib/ase/spacegroup/spacegroup.py -> build/bdist.linux-x86_64/wheel/./ase/spacegroup
-copying build/lib/ase/spacegroup/xtal.py -> build/bdist.linux-x86_64/wheel/./ase/spacegroup
-copying build/lib/ase/spacegroup/utils.py -> build/bdist.linux-x86_64/wheel/./ase/spacegroup
-copying build/lib/ase/spacegroup/crystal_data.py -> build/bdist.linux-x86_64/wheel/./ase/spacegroup
-copying build/lib/ase/spacegroup/spacegroup.dat -> build/bdist.linux-x86_64/wheel/./ase/spacegroup
-copying build/lib/ase/spacegroup/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/spacegroup
-copying build/lib/ase/spacegroup/symmetrize.py -> build/bdist.linux-x86_64/wheel/./ase/spacegroup
+copying build/lib/ase/dimer.py -> build/bdist.linux-x86_64/wheel/./ase
+copying build/lib/ase/autoneb.py -> build/bdist.linux-x86_64/wheel/./ase
+copying build/lib/ase/__init__.py -> build/bdist.linux-x86_64/wheel/./ase
+creating build/bdist.linux-x86_64/wheel/ase/vibrations
+copying build/lib/ase/vibrations/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/vibrations
+copying build/lib/ase/vibrations/franck_condon.py -> build/bdist.linux-x86_64/wheel/./ase/vibrations
+copying build/lib/ase/vibrations/resonant_raman.py -> build/bdist.linux-x86_64/wheel/./ase/vibrations
+copying build/lib/ase/vibrations/placzek.py -> build/bdist.linux-x86_64/wheel/./ase/vibrations
+copying build/lib/ase/vibrations/raman.py -> build/bdist.linux-x86_64/wheel/./ase/vibrations
+copying build/lib/ase/vibrations/pickle2json.py -> build/bdist.linux-x86_64/wheel/./ase/vibrations
+copying build/lib/ase/vibrations/vibrations.py -> build/bdist.linux-x86_64/wheel/./ase/vibrations
+copying build/lib/ase/vibrations/data.py -> build/bdist.linux-x86_64/wheel/./ase/vibrations
+copying build/lib/ase/vibrations/albrecht.py -> build/bdist.linux-x86_64/wheel/./ase/vibrations
+copying build/lib/ase/vibrations/infrared.py -> build/bdist.linux-x86_64/wheel/./ase/vibrations
+creating build/bdist.linux-x86_64/wheel/ase/calculators
+copying build/lib/ase/calculators/gromacs.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+creating build/bdist.linux-x86_64/wheel/ase/calculators/kim
+copying build/lib/ase/calculators/kim/kimmodel.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/kim
+copying build/lib/ase/calculators/kim/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/kim
+copying build/lib/ase/calculators/kim/neighborlist.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/kim
+copying build/lib/ase/calculators/kim/kim.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/kim
+copying build/lib/ase/calculators/kim/calculators.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/kim
+copying build/lib/ase/calculators/kim/kimpy_wrappers.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/kim
+copying build/lib/ase/calculators/kim/exceptions.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/kim
+copying build/lib/ase/calculators/emt.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/psi4.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/elk.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/harmonic.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+creating build/bdist.linux-x86_64/wheel/ase/calculators/lammps
+copying build/lib/ase/calculators/lammps/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/lammps
+copying build/lib/ase/calculators/lammps/unitconvert.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/lammps
+copying build/lib/ase/calculators/lammps/unitconvert_constants.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/lammps
+copying build/lib/ase/calculators/lammps/coordinatetransform.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/lammps
+copying build/lib/ase/calculators/lammps/inputwriter.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/lammps
+copying build/lib/ase/calculators/names.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/excitation_list.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/bond_polarizability.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/plumed.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/amber.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/lammpsrun.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+creating build/bdist.linux-x86_64/wheel/ase/calculators/openmx
+copying build/lib/ase/calculators/openmx/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/openmx
+copying build/lib/ase/calculators/openmx/writer.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/openmx
+copying build/lib/ase/calculators/openmx/parameters.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/openmx
+copying build/lib/ase/calculators/openmx/openmx.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/openmx
+copying build/lib/ase/calculators/openmx/default_settings.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/openmx
+copying build/lib/ase/calculators/openmx/reader.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/openmx
+copying build/lib/ase/calculators/openmx/dos.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/openmx
+copying build/lib/ase/calculators/genericfileio.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/calculator.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/gaussian.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/morse.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/singlepoint.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/subprocesscalculator.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/fd.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/abinit.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/checkpoint.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/lammpslib.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/polarizability.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/orca.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/gulp.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/castep.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/mixing.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/socketio.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/aims.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/acn.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/tip4p.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/test.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/qchem.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/dmol.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/mopac.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+creating build/bdist.linux-x86_64/wheel/ase/calculators/vasp
+copying build/lib/ase/calculators/vasp/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/vasp
+copying build/lib/ase/calculators/vasp/vasp2.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/vasp
+copying build/lib/ase/calculators/vasp/interactive.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/vasp
+copying build/lib/ase/calculators/vasp/setups.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/vasp
+copying build/lib/ase/calculators/vasp/create_input.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/vasp
+copying build/lib/ase/calculators/vasp/vasp_auxiliary.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/vasp
+copying build/lib/ase/calculators/vasp/vasp_data.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/vasp
+copying build/lib/ase/calculators/vasp/vasp.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/vasp
+copying build/lib/ase/calculators/lj.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/loggingcalc.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/counterions.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
+copying build/lib/ase/calculators/vdwcorrection.py -> build/bdist.linux-x86_64/wheel/./ase/calculators
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+creating build/bdist.linux-x86_64/wheel/ase/calculators/turbomole
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+copying build/lib/ase/calculators/turbomole/parameters.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/turbomole
+copying build/lib/ase/calculators/turbomole/turbomole.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/turbomole
+copying build/lib/ase/calculators/turbomole/reader.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/turbomole
+creating build/bdist.linux-x86_64/wheel/ase/calculators/siesta
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+copying build/lib/ase/calculators/siesta/import_ion_xml.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/siesta
+copying build/lib/ase/calculators/siesta/siesta.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/siesta
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+creating build/bdist.linux-x86_64/wheel/ase/calculators/demon
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+copying build/lib/ase/calculators/demon/demon_io.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/demon
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+creating build/bdist.linux-x86_64/wheel/ase/calculators/exciting
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+copying build/lib/ase/calculators/exciting/exciting.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/exciting
+copying build/lib/ase/calculators/exciting/runner.py -> build/bdist.linux-x86_64/wheel/./ase/calculators/exciting
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+creating build/bdist.linux-x86_64/wheel/ase/mep
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+copying build/lib/ase/mep/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/mep
+copying build/lib/ase/mep/neb.py -> build/bdist.linux-x86_64/wheel/./ase/mep
+copying build/lib/ase/mep/dyneb.py -> build/bdist.linux-x86_64/wheel/./ase/mep
 creating build/bdist.linux-x86_64/wheel/ase/collections
-copying build/lib/ase/collections/dcdft.json -> build/bdist.linux-x86_64/wheel/./ase/collections
 copying build/lib/ase/collections/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/collections
-copying build/lib/ase/collections/g2.json -> build/bdist.linux-x86_64/wheel/./ase/collections
-copying build/lib/ase/collections/s22.json -> build/bdist.linux-x86_64/wheel/./ase/collections
 copying build/lib/ase/collections/create.py -> build/bdist.linux-x86_64/wheel/./ase/collections
 copying build/lib/ase/collections/collection.py -> build/bdist.linux-x86_64/wheel/./ase/collections
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-creating build/bdist.linux-x86_64/wheel/ase/utils
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-copying build/lib/ase/utils/build_web_page.py -> build/bdist.linux-x86_64/wheel/./ase/utils
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-copying build/lib/ase/utils/cext.py -> build/bdist.linux-x86_64/wheel/./ase/utils
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-copying build/lib/ase/utils/filecache.py -> build/bdist.linux-x86_64/wheel/./ase/utils
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-copying build/lib/ase/utils/sphinx.py -> build/bdist.linux-x86_64/wheel/./ase/utils
-copying build/lib/ase/utils/timing.py -> build/bdist.linux-x86_64/wheel/./ase/utils
-copying build/lib/ase/utils/forcecurve.py -> build/bdist.linux-x86_64/wheel/./ase/utils
-copying build/lib/ase/utils/ff.py -> build/bdist.linux-x86_64/wheel/./ase/utils
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-copying build/lib/ase/utils/parsemath.py -> build/bdist.linux-x86_64/wheel/./ase/utils
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-creating build/bdist.linux-x86_64/wheel/ase/transport
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-copying build/lib/ase/transport/stm.py -> build/bdist.linux-x86_64/wheel/./ase/transport
-copying build/lib/ase/transport/greenfunction.py -> build/bdist.linux-x86_64/wheel/./ase/transport
-copying build/lib/ase/transport/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/transport
-copying build/lib/ase/transport/selfenergy.py -> build/bdist.linux-x86_64/wheel/./ase/transport
-copying build/lib/ase/transport/tools.py -> build/bdist.linux-x86_64/wheel/./ase/transport
-creating build/bdist.linux-x86_64/wheel/ase/data
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-copying build/lib/ase/data/g2_2.py -> build/bdist.linux-x86_64/wheel/./ase/data
-copying build/lib/ase/data/extra_molecules.py -> build/bdist.linux-x86_64/wheel/./ase/data
-copying build/lib/ase/data/pubchem.py -> build/bdist.linux-x86_64/wheel/./ase/data
-copying build/lib/ase/data/s22.py -> build/bdist.linux-x86_64/wheel/./ase/data
-copying build/lib/ase/data/colors.py -> build/bdist.linux-x86_64/wheel/./ase/data
-copying build/lib/ase/data/isotopes.py -> build/bdist.linux-x86_64/wheel/./ase/data
-copying build/lib/ase/data/vdw_alvarez.py -> build/bdist.linux-x86_64/wheel/./ase/data
-copying build/lib/ase/data/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/data
-copying build/lib/ase/data/cohesive_energies.py -> build/bdist.linux-x86_64/wheel/./ase/data
-copying build/lib/ase/data/g2.py -> build/bdist.linux-x86_64/wheel/./ase/data
-copying build/lib/ase/data/g2_1.py -> build/bdist.linux-x86_64/wheel/./ase/data
-copying build/lib/ase/data/dbh24.py -> build/bdist.linux-x86_64/wheel/./ase/data
-copying build/lib/ase/data/vdw.py -> build/bdist.linux-x86_64/wheel/./ase/data
+copying build/lib/ase/collections/g2.json -> build/bdist.linux-x86_64/wheel/./ase/collections
+copying build/lib/ase/collections/dcdft.json -> build/bdist.linux-x86_64/wheel/./ase/collections
+copying build/lib/ase/collections/s22.json -> build/bdist.linux-x86_64/wheel/./ase/collections
+copying build/lib/ase/quaternions.py -> build/bdist.linux-x86_64/wheel/./ase
+creating build/bdist.linux-x86_64/wheel/ase/geometry
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+copying build/lib/ase/geometry/distance.py -> build/bdist.linux-x86_64/wheel/./ase/geometry
+copying build/lib/ase/geometry/geometry.py -> build/bdist.linux-x86_64/wheel/./ase/geometry
+copying build/lib/ase/geometry/bravais_type_engine.py -> build/bdist.linux-x86_64/wheel/./ase/geometry
+copying build/lib/ase/geometry/rdf.py -> build/bdist.linux-x86_64/wheel/./ase/geometry
+copying build/lib/ase/geometry/analysis.py -> build/bdist.linux-x86_64/wheel/./ase/geometry
+creating build/bdist.linux-x86_64/wheel/ase/geometry/dimensionality
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+copying build/lib/ase/geometry/dimensionality/disjoint_set.py -> build/bdist.linux-x86_64/wheel/./ase/geometry/dimensionality
+copying build/lib/ase/geometry/dimensionality/isolation.py -> build/bdist.linux-x86_64/wheel/./ase/geometry/dimensionality
+copying build/lib/ase/geometry/dimensionality/topology_scaling.py -> build/bdist.linux-x86_64/wheel/./ase/geometry/dimensionality
+copying build/lib/ase/geometry/dimensionality/bond_generator.py -> build/bdist.linux-x86_64/wheel/./ase/geometry/dimensionality
+copying build/lib/ase/geometry/dimensionality/interval_analysis.py -> build/bdist.linux-x86_64/wheel/./ase/geometry/dimensionality
+copying build/lib/ase/geometry/dimensionality/rank_determination.py -> build/bdist.linux-x86_64/wheel/./ase/geometry/dimensionality
+copying build/lib/ase/geometry/cell.py -> build/bdist.linux-x86_64/wheel/./ase/geometry
+copying build/lib/ase/neb.py -> build/bdist.linux-x86_64/wheel/./ase
+copying build/lib/ase/phasediagram.py -> build/bdist.linux-x86_64/wheel/./ase
+copying build/lib/ase/py.typed -> build/bdist.linux-x86_64/wheel/./ase
+copying build/lib/ase/parallel.py -> build/bdist.linux-x86_64/wheel/./ase
+creating build/bdist.linux-x86_64/wheel/ase/optimize
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+copying build/lib/ase/optimize/climbfixinternals.py -> build/bdist.linux-x86_64/wheel/./ase/optimize
+copying build/lib/ase/optimize/basin.py -> build/bdist.linux-x86_64/wheel/./ase/optimize
+creating build/bdist.linux-x86_64/wheel/ase/optimize/precon
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+copying build/lib/ase/optimize/precon/neighbors.py -> build/bdist.linux-x86_64/wheel/./ase/optimize/precon
+copying build/lib/ase/optimize/precon/lbfgs.py -> build/bdist.linux-x86_64/wheel/./ase/optimize/precon
+copying build/lib/ase/optimize/precon/fire.py -> build/bdist.linux-x86_64/wheel/./ase/optimize/precon
+copying build/lib/ase/optimize/precon/precon.py -> build/bdist.linux-x86_64/wheel/./ase/optimize/precon
+copying build/lib/ase/optimize/minimahopping.py -> build/bdist.linux-x86_64/wheel/./ase/optimize
+copying build/lib/ase/optimize/mdmin.py -> build/bdist.linux-x86_64/wheel/./ase/optimize
+copying build/lib/ase/optimize/cellawarebfgs.py -> build/bdist.linux-x86_64/wheel/./ase/optimize
+creating build/bdist.linux-x86_64/wheel/ase/optimize/gpmin
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+copying build/lib/ase/optimize/gpmin/prior.py -> build/bdist.linux-x86_64/wheel/./ase/optimize/gpmin
+copying build/lib/ase/optimize/gpmin/gp.py -> build/bdist.linux-x86_64/wheel/./ase/optimize/gpmin
+copying build/lib/ase/optimize/gpmin/kernel.py -> build/bdist.linux-x86_64/wheel/./ase/optimize/gpmin
+copying build/lib/ase/optimize/gpmin/gpmin.py -> build/bdist.linux-x86_64/wheel/./ase/optimize/gpmin
+copying build/lib/ase/optimize/sciopt.py -> build/bdist.linux-x86_64/wheel/./ase/optimize
+copying build/lib/ase/optimize/optimize.py -> build/bdist.linux-x86_64/wheel/./ase/optimize
+copying build/lib/ase/optimize/lbfgs.py -> build/bdist.linux-x86_64/wheel/./ase/optimize
+copying build/lib/ase/optimize/oldqn.py -> build/bdist.linux-x86_64/wheel/./ase/optimize
+copying build/lib/ase/optimize/bfgs.py -> build/bdist.linux-x86_64/wheel/./ase/optimize
+copying build/lib/ase/optimize/fire2.py -> build/bdist.linux-x86_64/wheel/./ase/optimize
+creating build/bdist.linux-x86_64/wheel/ase/optimize/test
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+copying build/lib/ase/optimize/test/neb.py -> build/bdist.linux-x86_64/wheel/./ase/optimize/test
+copying build/lib/ase/optimize/test/test.py -> build/bdist.linux-x86_64/wheel/./ase/optimize/test
+copying build/lib/ase/optimize/test/systems.py -> build/bdist.linux-x86_64/wheel/./ase/optimize/test
+copying build/lib/ase/optimize/test/generate_rst.py -> build/bdist.linux-x86_64/wheel/./ase/optimize/test
+copying build/lib/ase/optimize/test/analyze.py -> build/bdist.linux-x86_64/wheel/./ase/optimize/test
+copying build/lib/ase/optimize/fire.py -> build/bdist.linux-x86_64/wheel/./ase/optimize
+copying build/lib/ase/optimize/bfgslinesearch.py -> build/bdist.linux-x86_64/wheel/./ase/optimize
+copying build/lib/ase/optimize/ode.py -> build/bdist.linux-x86_64/wheel/./ase/optimize
+copying build/lib/ase/neighborlist.py -> build/bdist.linux-x86_64/wheel/./ase
+copying build/lib/ase/codes.py -> build/bdist.linux-x86_64/wheel/./ase
+creating build/bdist.linux-x86_64/wheel/ase/gui
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+creating build/bdist.linux-x86_64/wheel/ase/gui/po/sv
+creating build/bdist.linux-x86_64/wheel/ase/gui/po/sv/LC_MESSAGES
+copying build/lib/ase/gui/po/sv/LC_MESSAGES/ag.mo -> build/bdist.linux-x86_64/wheel/./ase/gui/po/sv/LC_MESSAGES
+copying build/lib/ase/gui/po/sv/LC_MESSAGES/ag.po -> build/bdist.linux-x86_64/wheel/./ase/gui/po/sv/LC_MESSAGES
+creating build/bdist.linux-x86_64/wheel/ase/gui/po/fi
+creating build/bdist.linux-x86_64/wheel/ase/gui/po/fi/LC_MESSAGES
+copying build/lib/ase/gui/po/fi/LC_MESSAGES/ag.mo -> build/bdist.linux-x86_64/wheel/./ase/gui/po/fi/LC_MESSAGES
+copying build/lib/ase/gui/po/fi/LC_MESSAGES/ag.po -> build/bdist.linux-x86_64/wheel/./ase/gui/po/fi/LC_MESSAGES
+creating build/bdist.linux-x86_64/wheel/ase/gui/po/fr
+creating build/bdist.linux-x86_64/wheel/ase/gui/po/fr/LC_MESSAGES
+copying build/lib/ase/gui/po/fr/LC_MESSAGES/ag.mo -> build/bdist.linux-x86_64/wheel/./ase/gui/po/fr/LC_MESSAGES
+copying build/lib/ase/gui/po/fr/LC_MESSAGES/ag.po -> build/bdist.linux-x86_64/wheel/./ase/gui/po/fr/LC_MESSAGES
+creating build/bdist.linux-x86_64/wheel/ase/gui/po/gl
+creating build/bdist.linux-x86_64/wheel/ase/gui/po/gl/LC_MESSAGES
+copying build/lib/ase/gui/po/gl/LC_MESSAGES/ag.mo -> build/bdist.linux-x86_64/wheel/./ase/gui/po/gl/LC_MESSAGES
+copying build/lib/ase/gui/po/gl/LC_MESSAGES/ag.po -> build/bdist.linux-x86_64/wheel/./ase/gui/po/gl/LC_MESSAGES
+creating build/bdist.linux-x86_64/wheel/ase/gui/po/en_GB
+creating build/bdist.linux-x86_64/wheel/ase/gui/po/en_GB/LC_MESSAGES
+copying build/lib/ase/gui/po/en_GB/LC_MESSAGES/ag.mo -> build/bdist.linux-x86_64/wheel/./ase/gui/po/en_GB/LC_MESSAGES
+copying build/lib/ase/gui/po/en_GB/LC_MESSAGES/ag.po -> build/bdist.linux-x86_64/wheel/./ase/gui/po/en_GB/LC_MESSAGES
+creating build/bdist.linux-x86_64/wheel/ase/gui/po/es
+creating build/bdist.linux-x86_64/wheel/ase/gui/po/es/LC_MESSAGES
+copying build/lib/ase/gui/po/es/LC_MESSAGES/ag.mo -> build/bdist.linux-x86_64/wheel/./ase/gui/po/es/LC_MESSAGES
+copying build/lib/ase/gui/po/es/LC_MESSAGES/ag.po -> build/bdist.linux-x86_64/wheel/./ase/gui/po/es/LC_MESSAGES
+copying build/lib/ase/gui/po/Makefile -> build/bdist.linux-x86_64/wheel/./ase/gui/po
+creating build/bdist.linux-x86_64/wheel/ase/gui/po/eu
+creating build/bdist.linux-x86_64/wheel/ase/gui/po/eu/LC_MESSAGES
+copying build/lib/ase/gui/po/eu/LC_MESSAGES/ag.mo -> build/bdist.linux-x86_64/wheel/./ase/gui/po/eu/LC_MESSAGES
+copying build/lib/ase/gui/po/eu/LC_MESSAGES/ag.po -> build/bdist.linux-x86_64/wheel/./ase/gui/po/eu/LC_MESSAGES
+creating build/bdist.linux-x86_64/wheel/ase/gui/po/zh_CN
+creating build/bdist.linux-x86_64/wheel/ase/gui/po/zh_CN/LC_MESSAGES
+copying build/lib/ase/gui/po/zh_CN/LC_MESSAGES/ag.mo -> build/bdist.linux-x86_64/wheel/./ase/gui/po/zh_CN/LC_MESSAGES
+copying build/lib/ase/gui/po/zh_CN/LC_MESSAGES/ag.po -> build/bdist.linux-x86_64/wheel/./ase/gui/po/zh_CN/LC_MESSAGES
+creating build/bdist.linux-x86_64/wheel/ase/gui/po/da
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+copying build/lib/ase/gui/po/da/LC_MESSAGES/ag.mo -> build/bdist.linux-x86_64/wheel/./ase/gui/po/da/LC_MESSAGES
+copying build/lib/ase/gui/po/da/LC_MESSAGES/ag.po -> build/bdist.linux-x86_64/wheel/./ase/gui/po/da/LC_MESSAGES
+creating build/bdist.linux-x86_64/wheel/ase/gui/po/de
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+copying build/lib/ase/gui/po/de/LC_MESSAGES/ag.mo -> build/bdist.linux-x86_64/wheel/./ase/gui/po/de/LC_MESSAGES
+copying build/lib/ase/gui/po/de/LC_MESSAGES/ag.po -> build/bdist.linux-x86_64/wheel/./ase/gui/po/de/LC_MESSAGES
+creating build/bdist.linux-x86_64/wheel/ase/gui/po/ru
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 creating build/bdist.linux-x86_64/wheel/ase/build
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 copying build/lib/ase/build/bulk.py -> build/bdist.linux-x86_64/wheel/./ase/build
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-copying build/lib/ase/build/tube.py -> build/bdist.linux-x86_64/wheel/./ase/build
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 copying build/lib/ase/build/ribbon.py -> build/bdist.linux-x86_64/wheel/./ase/build
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-copying build/lib/ase/build/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/build
 copying build/lib/ase/build/molecule.py -> build/bdist.linux-x86_64/wheel/./ase/build
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 copying build/lib/ase/build/root.py -> build/bdist.linux-x86_64/wheel/./ase/build
 copying build/lib/ase/build/tools.py -> build/bdist.linux-x86_64/wheel/./ase/build
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 copying build/lib/ase/build/connected.py -> build/bdist.linux-x86_64/wheel/./ase/build
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-copying build/lib/ase/dependencies.py -> build/bdist.linux-x86_64/wheel/./ase
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+copying build/lib/ase/md/bussi.py -> build/bdist.linux-x86_64/wheel/./ase/md
+copying build/lib/ase/md/andersen.py -> build/bdist.linux-x86_64/wheel/./ase/md
+copying build/lib/ase/md/nptberendsen.py -> build/bdist.linux-x86_64/wheel/./ase/md
+copying build/lib/ase/md/contour_exploration.py -> build/bdist.linux-x86_64/wheel/./ase/md
+copying build/lib/ase/md/verlet.py -> build/bdist.linux-x86_64/wheel/./ase/md
+copying build/lib/ase/md/fix.py -> build/bdist.linux-x86_64/wheel/./ase/md
+copying build/lib/ase/md/nvtberendsen.py -> build/bdist.linux-x86_64/wheel/./ase/md
+copying build/lib/ase/md/switch_langevin.py -> build/bdist.linux-x86_64/wheel/./ase/md
+copying build/lib/ase/md/logger.py -> build/bdist.linux-x86_64/wheel/./ase/md
+copying build/lib/ase/md/nose_hoover_chain.py -> build/bdist.linux-x86_64/wheel/./ase/md
+copying build/lib/ase/md/analysis.py -> build/bdist.linux-x86_64/wheel/./ase/md
 creating build/bdist.linux-x86_64/wheel/ase/test
-copying build/lib/ase/test/test_calc_properties.py -> build/bdist.linux-x86_64/wheel/./ase/test
-copying build/lib/ase/test/test_root_surf.py -> build/bdist.linux-x86_64/wheel/./ase/test
-creating build/bdist.linux-x86_64/wheel/ase/test/bandstructure
-copying build/lib/ase/test/bandstructure/test_bandstructure_json.py -> build/bdist.linux-x86_64/wheel/./ase/test/bandstructure
-copying build/lib/ase/test/bandstructure/test_resolve_custom_kpoints.py -> build/bdist.linux-x86_64/wheel/./ase/test/bandstructure
-copying build/lib/ase/test/bandstructure/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/bandstructure
-copying build/lib/ase/test/bandstructure/test_bandstructure.py -> build/bdist.linux-x86_64/wheel/./ase/test/bandstructure
-copying build/lib/ase/test/bandstructure/test_bandstructure_many.py -> build/bdist.linux-x86_64/wheel/./ase/test/bandstructure
-copying build/lib/ase/test/bandstructure/test_bandpath.py -> build/bdist.linux-x86_64/wheel/./ase/test/bandstructure
-copying build/lib/ase/test/bandstructure/test_bandstructure_transform_mcl.py -> build/bdist.linux-x86_64/wheel/./ase/test/bandstructure
-copying build/lib/ase/test/test_dimer_method.py -> build/bdist.linux-x86_64/wheel/./ase/test
-creating build/bdist.linux-x86_64/wheel/ase/test/spacegroup
-copying build/lib/ase/test/spacegroup/test_space_group_data.py -> build/bdist.linux-x86_64/wheel/./ase/test/spacegroup
-copying build/lib/ase/test/spacegroup/test_spacegroup_crystal.py -> build/bdist.linux-x86_64/wheel/./ase/test/spacegroup
-copying build/lib/ase/test/spacegroup/test_spacegroup_utils.py -> build/bdist.linux-x86_64/wheel/./ase/test/spacegroup
-copying build/lib/ase/test/spacegroup/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/spacegroup
-copying build/lib/ase/test/spacegroup/test_minerals.py -> build/bdist.linux-x86_64/wheel/./ase/test/spacegroup
-copying build/lib/ase/test/spacegroup/test_spacegroup.py -> build/bdist.linux-x86_64/wheel/./ase/test/spacegroup
-copying build/lib/ase/test/test_potential_energies.py -> build/bdist.linux-x86_64/wheel/./ase/test
-copying build/lib/ase/test/test_pourbaix.py -> build/bdist.linux-x86_64/wheel/./ase/test
-copying build/lib/ase/test/test_imports.py -> build/bdist.linux-x86_64/wheel/./ase/test
-copying build/lib/ase/test/test_minimum_image_convention.py -> build/bdist.linux-x86_64/wheel/./ase/test
+creating build/bdist.linux-x86_64/wheel/ase/test/emt
+copying build/lib/ase/test/emt/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/emt
+copying build/lib/ase/test/emt/test_emt_h3o2m.py -> build/bdist.linux-x86_64/wheel/./ase/test/emt
+copying build/lib/ase/test/emt/test_emt1.py -> build/bdist.linux-x86_64/wheel/./ase/test/emt
+copying build/lib/ase/test/emt/test_emt_stress.py -> build/bdist.linux-x86_64/wheel/./ase/test/emt
+copying build/lib/ase/test/emt/test_emt.py -> build/bdist.linux-x86_64/wheel/./ase/test/emt
+copying build/lib/ase/test/emt/test_emt2.py -> build/bdist.linux-x86_64/wheel/./ase/test/emt
+copying build/lib/ase/test/test_things.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_cluster.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_diffusion_coefficient.py -> build/bdist.linux-x86_64/wheel/./ase/test
+creating build/bdist.linux-x86_64/wheel/ase/test/constraints
+copying build/lib/ase/test/constraints/test_mirror.py -> build/bdist.linux-x86_64/wheel/./ase/test/constraints
+copying build/lib/ase/test/constraints/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/constraints
+copying build/lib/ase/test/constraints/test_fixedmode.py -> build/bdist.linux-x86_64/wheel/./ase/test/constraints
+copying build/lib/ase/test/constraints/test_fixscaled.py -> build/bdist.linux-x86_64/wheel/./ase/test/constraints
+copying build/lib/ase/test/constraints/test_CO2linear_Au111.py -> build/bdist.linux-x86_64/wheel/./ase/test/constraints
+copying build/lib/ase/test/constraints/test_fix_symmetry.py -> build/bdist.linux-x86_64/wheel/./ase/test/constraints
+copying build/lib/ase/test/constraints/test_fixcartesian.py -> build/bdist.linux-x86_64/wheel/./ase/test/constraints
+copying build/lib/ase/test/constraints/test_fixinternals.py -> build/bdist.linux-x86_64/wheel/./ase/test/constraints
+copying build/lib/ase/test/constraints/test_fixsubsetcom.py -> build/bdist.linux-x86_64/wheel/./ase/test/constraints
+copying build/lib/ase/test/constraints/test_repeat_FixAtoms.py -> build/bdist.linux-x86_64/wheel/./ase/test/constraints
+copying build/lib/ase/test/constraints/test_getindices.py -> build/bdist.linux-x86_64/wheel/./ase/test/constraints
+copying build/lib/ase/test/constraints/test_fix_bond_length_mic.py -> build/bdist.linux-x86_64/wheel/./ase/test/constraints
+copying build/lib/ase/test/constraints/test_fixcom.py -> build/bdist.linux-x86_64/wheel/./ase/test/constraints
+copying build/lib/ase/test/constraints/test_external_force.py -> build/bdist.linux-x86_64/wheel/./ase/test/constraints
+copying build/lib/ase/test/constraints/test_fixedline_fixedplane.py -> build/bdist.linux-x86_64/wheel/./ase/test/constraints
+copying build/lib/ase/test/constraints/test_fixbonds.py -> build/bdist.linux-x86_64/wheel/./ase/test/constraints
+copying build/lib/ase/test/constraints/test_parameteric_constr.py -> build/bdist.linux-x86_64/wheel/./ase/test/constraints
+copying build/lib/ase/test/constraints/test_negativeindex.py -> build/bdist.linux-x86_64/wheel/./ase/test/constraints
+copying build/lib/ase/test/constraints/test_setpos.py -> build/bdist.linux-x86_64/wheel/./ase/test/constraints
+copying build/lib/ase/test/constraints/test_fixatoms.py -> build/bdist.linux-x86_64/wheel/./ase/test/constraints
+copying build/lib/ase/test/constraints/test_hookean_pbc.py -> build/bdist.linux-x86_64/wheel/./ase/test/constraints
+copying build/lib/ase/test/constraints/test_hookean.py -> build/bdist.linux-x86_64/wheel/./ase/test/constraints
+copying build/lib/ase/test/constraints/test_fixbondlength_CO2_Au111.py -> build/bdist.linux-x86_64/wheel/./ase/test/constraints
+creating build/bdist.linux-x86_64/wheel/ase/test/vibrations
+copying build/lib/ase/test/vibrations/test_franck_condon.py -> build/bdist.linux-x86_64/wheel/./ase/test/vibrations
+copying build/lib/ase/test/vibrations/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/vibrations
+copying build/lib/ase/test/vibrations/test_albrecht.py -> build/bdist.linux-x86_64/wheel/./ase/test/vibrations
+copying build/lib/ase/test/vibrations/test_bond_polarizability_raman.py -> build/bdist.linux-x86_64/wheel/./ase/test/vibrations
+copying build/lib/ase/test/vibrations/test_folding.py -> build/bdist.linux-x86_64/wheel/./ase/test/vibrations
+copying build/lib/ase/test/vibrations/test_placzek.py -> build/bdist.linux-x86_64/wheel/./ase/test/vibrations
+copying build/lib/ase/test/vibrations/test_pickle2json.py -> build/bdist.linux-x86_64/wheel/./ase/test/vibrations
+copying build/lib/ase/test/vibrations/test_combine.py -> build/bdist.linux-x86_64/wheel/./ase/test/vibrations
+copying build/lib/ase/test/vibrations/test_vibrations_example.py -> build/bdist.linux-x86_64/wheel/./ase/test/vibrations
+copying build/lib/ase/test/vibrations/test_profeta_albrecht.py -> build/bdist.linux-x86_64/wheel/./ase/test/vibrations
+copying build/lib/ase/test/vibrations/test_vib.py -> build/bdist.linux-x86_64/wheel/./ase/test/vibrations
+copying build/lib/ase/test/conftest.py -> build/bdist.linux-x86_64/wheel/./ase/test
 copying build/lib/ase/test/test_timing.py -> build/bdist.linux-x86_64/wheel/./ase/test
-creating build/bdist.linux-x86_64/wheel/ase/test/bravais
-copying build/lib/ase/test/bravais/test_2d_cell_pbc.py -> build/bdist.linux-x86_64/wheel/./ase/test/bravais
-copying build/lib/ase/test/bravais/test_hex.py -> build/bdist.linux-x86_64/wheel/./ase/test/bravais
-copying build/lib/ase/test/bravais/test_main.py -> build/bdist.linux-x86_64/wheel/./ase/test/bravais
-copying build/lib/ase/test/bravais/test_lattices.py -> build/bdist.linux-x86_64/wheel/./ase/test/bravais
-copying build/lib/ase/test/bravais/test_line_lattice.py -> build/bdist.linux-x86_64/wheel/./ase/test/bravais
-copying build/lib/ase/test/bravais/test_eps.py -> build/bdist.linux-x86_64/wheel/./ase/test/bravais
-copying build/lib/ase/test/bravais/test_reduce.py -> build/bdist.linux-x86_64/wheel/./ase/test/bravais
-copying build/lib/ase/test/bravais/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/bravais
-copying build/lib/ase/test/bravais/test_bravais_type_engine.py -> build/bdist.linux-x86_64/wheel/./ase/test/bravais
-copying build/lib/ase/test/bravais/test_orcc_mcl.py -> build/bdist.linux-x86_64/wheel/./ase/test/bravais
-copying build/lib/ase/test/bravais/test_standard_form.py -> build/bdist.linux-x86_64/wheel/./ase/test/bravais
-copying build/lib/ase/test/test_formula.py -> build/bdist.linux-x86_64/wheel/./ase/test
-copying build/lib/ase/test/test_basin.py -> build/bdist.linux-x86_64/wheel/./ase/test
-copying build/lib/ase/test/test_example.py -> build/bdist.linux-x86_64/wheel/./ase/test
-copying build/lib/ase/test/test_s22.py -> build/bdist.linux-x86_64/wheel/./ase/test
-copying build/lib/ase/test/test_eos.py -> build/bdist.linux-x86_64/wheel/./ase/test
+creating build/bdist.linux-x86_64/wheel/ase/test/build_
+copying build/lib/ase/test/build_/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/build_
+copying build/lib/ase/test/build_/test_surface_terminations.py -> build/bdist.linux-x86_64/wheel/./ase/test/build_
+copying build/lib/ase/test/build_/test_supercells.py -> build/bdist.linux-x86_64/wheel/./ase/test/build_
+copying build/lib/ase/test/build_/test_minimize_rotation_and_translation.py -> build/bdist.linux-x86_64/wheel/./ase/test/build_
+copying build/lib/ase/test/build_/test_surface.py -> build/bdist.linux-x86_64/wheel/./ase/test/build_
+copying build/lib/ase/test/build_/test_bulk.py -> build/bdist.linux-x86_64/wheel/./ase/test/build_
+copying build/lib/ase/test/build_/test_connected.py -> build/bdist.linux-x86_64/wheel/./ase/test/build_
+copying build/lib/ase/test/build_/test_surface_stack.py -> build/bdist.linux-x86_64/wheel/./ase/test/build_
+copying build/lib/ase/test/build_/test_attach.py -> build/bdist.linux-x86_64/wheel/./ase/test/build_
+copying build/lib/ase/test/build_/test_build_bulk.py -> build/bdist.linux-x86_64/wheel/./ase/test/build_
+copying build/lib/ase/test/test_kpts2kpts.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_dependency_list.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_lattice_lindep.py -> build/bdist.linux-x86_64/wheel/./ase/test
+creating build/bdist.linux-x86_64/wheel/ase/test/precon
+copying build/lib/ase/test/precon/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/precon
+copying build/lib/ase/test/precon/test_ff_and_precon_c60.py -> build/bdist.linux-x86_64/wheel/./ase/test/precon
+copying build/lib/ase/test/precon/test_unitcellfilter.py -> build/bdist.linux-x86_64/wheel/./ase/test/precon
+copying build/lib/ase/test/precon/test_lbfgs.py -> build/bdist.linux-x86_64/wheel/./ase/test/precon
+copying build/lib/ase/test/precon/test_smallcell.py -> build/bdist.linux-x86_64/wheel/./ase/test/precon
+copying build/lib/ase/test/precon/test_amin.py -> build/bdist.linux-x86_64/wheel/./ase/test/precon
+copying build/lib/ase/test/precon/test_precon_assembly.py -> build/bdist.linux-x86_64/wheel/./ase/test/precon
+copying build/lib/ase/test/test_structure_comparator.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_stress.py -> build/bdist.linux-x86_64/wheel/./ase/test
 creating build/bdist.linux-x86_64/wheel/ase/test/testdata
+copying build/lib/ase/test/testdata/opls_structure_ext.xyz -> build/bdist.linux-x86_64/wheel/./ase/test/testdata
+copying build/lib/ase/test/testdata/qbox_test.xml -> build/bdist.linux-x86_64/wheel/./ase/test/testdata
+creating build/bdist.linux-x86_64/wheel/ase/test/testdata/nwchem
+copying build/lib/ase/test/testdata/nwchem/snippet_multipole_7.0.2-intel.nwo -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/nwchem
+copying build/lib/ase/test/testdata/nwchem/snippet_multipole_7.0.2-gcc.nwo -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/nwchem
+copying build/lib/ase/test/testdata/rotated_bz.png -> build/bdist.linux-x86_64/wheel/./ase/test/testdata
+creating build/bdist.linux-x86_64/wheel/ase/test/testdata/castep
+copying build/lib/ase/test/testdata/castep/md.castep -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/castep
+copying build/lib/ase/test/testdata/onetep_include_nested.dat -> build/bdist.linux-x86_64/wheel/./ase/test/testdata
+copying build/lib/ase/test/testdata/onetep_include.dat -> build/bdist.linux-x86_64/wheel/./ase/test/testdata
+creating build/bdist.linux-x86_64/wheel/ase/test/testdata/io
+creating build/bdist.linux-x86_64/wheel/ase/test/testdata/io/eon
+copying build/lib/ase/test/testdata/io/eon/multi.con -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/io/eon
+copying build/lib/ase/test/testdata/io/eon/single.con -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/io/eon
+creating build/bdist.linux-x86_64/wheel/ase/test/testdata/minerals
+copying build/lib/ase/test/testdata/minerals/cod_1010930.cif -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/minerals
+copying build/lib/ase/test/testdata/minerals/cod_1010995.cif -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/minerals
+copying build/lib/ase/test/testdata/minerals/cod_9017338.cif -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/minerals
+copying build/lib/ase/test/testdata/minerals/cod_9004218.cif -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/minerals
+copying build/lib/ase/test/testdata/minerals/cod_9007640.cif -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/minerals
+copying build/lib/ase/test/testdata/minerals/cod_9007661.cif -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/minerals
+copying build/lib/ase/test/testdata/minerals/cod_9001665.cif -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/minerals
+copying build/lib/ase/test/testdata/minerals/cod_9004112.cif -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/minerals
+copying build/lib/ase/test/testdata/lammpslib_simple_input.data -> build/bdist.linux-x86_64/wheel/./ase/test/testdata
+copying build/lib/ase/test/testdata/gpaw_expected_text_output -> build/bdist.linux-x86_64/wheel/./ase/test/testdata
 creating build/bdist.linux-x86_64/wheel/ase/test/testdata/octopus
-copying build/lib/ase/test/testdata/octopus/periodic_systems_25-Fe_polarized.01-gs_info -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/octopus
 copying build/lib/ase/test/testdata/octopus/periodic_systems_03-sodium_chain.02-unocc_eigenvalues -> build/bdist.linux-x86_64/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-x86_64/wheel/./ase/test/testdata/octopus
 copying build/lib/ase/test/testdata/octopus/periodic_systems_30-stress.05-output_scf_info -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/octopus
-copying build/lib/ase/test/testdata/large_atoms.magres -> build/bdist.linux-x86_64/wheel/./ase/test/testdata
-copying build/lib/ase/test/testdata/onetep_include.dat -> build/bdist.linux-x86_64/wheel/./ase/test/testdata
+copying build/lib/ase/test/testdata/octopus/linear_response_02-h2o_pol_lr.01_h2o_gs_info -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/octopus
+copying build/lib/ase/test/testdata/octopus/periodic_systems_25-Fe_polarized.01-gs_info -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/octopus
+creating build/bdist.linux-x86_64/wheel/ase/test/testdata/aims
+copying build/lib/ase/test/testdata/aims/md.out -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/aims
+copying build/lib/ase/test/testdata/aims/socket.out -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/aims
+copying build/lib/ase/test/testdata/aims/preamble_fail.out -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/aims
+copying build/lib/ase/test/testdata/aims/DFPT_dielectric.out -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/aims
+copying build/lib/ase/test/testdata/aims/issue_3345_spin_md_light.out -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/aims
+copying build/lib/ase/test/testdata/aims/numerical_stress.out -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/aims
+copying build/lib/ase/test/testdata/aims/singlepoint.out -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/aims
+copying build/lib/ase/test/testdata/aims/relax.out -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/aims
+copying build/lib/ase/test/testdata/aims/polarization.out -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/aims
 creating build/bdist.linux-x86_64/wheel/ase/test/testdata/vasp
 copying build/lib/ase/test/testdata/vasp/convergence_OUTCAR_n_y -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/vasp
-copying build/lib/ase/test/testdata/vasp/convergence_OUTCAR_y_y -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/vasp
-copying build/lib/ase/test/testdata/vasp/OUTCAR_example_1 -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/vasp
 creating build/bdist.linux-x86_64/wheel/ase/test/testdata/vasp/Li
 copying build/lib/ase/test/testdata/vasp/Li/CHG -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/vasp/Li
-copying build/lib/ase/test/testdata/vasp/vasprun_dfpt.xml -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/vasp
 copying build/lib/ase/test/testdata/vasp/POSCAR_example_1 -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/vasp
 copying build/lib/ase/test/testdata/vasp/convergence_OUTCAR_y_n -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/vasp
+copying build/lib/ase/test/testdata/vasp/OUTCAR_example_1 -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/vasp
+copying build/lib/ase/test/testdata/vasp/convergence_OUTCAR_y_y -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/vasp
+copying build/lib/ase/test/testdata/vasp/vasprun_dfpt.xml -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/vasp
+copying build/lib/ase/test/testdata/nomad-images.nomad-json -> build/bdist.linux-x86_64/wheel/./ase/test/testdata
+copying build/lib/ase/test/testdata/lammpsdata_input.data -> build/bdist.linux-x86_64/wheel/./ase/test/testdata
 creating build/bdist.linux-x86_64/wheel/ase/test/testdata/siesta
 copying build/lib/ase/test/testdata/siesta/siesta.EIG -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/siesta
-copying build/lib/ase/test/testdata/lammpslib_simple_input.data -> build/bdist.linux-x86_64/wheel/./ase/test/testdata
-copying build/lib/ase/test/testdata/onetep_include_nested.dat -> build/bdist.linux-x86_64/wheel/./ase/test/testdata
-creating build/bdist.linux-x86_64/wheel/ase/test/testdata/aims
-copying build/lib/ase/test/testdata/aims/relax.out -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/aims
-copying build/lib/ase/test/testdata/aims/DFPT_dielectric.out -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/aims
-copying build/lib/ase/test/testdata/aims/issue_3345_spin_md_light.out -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/aims
-copying build/lib/ase/test/testdata/aims/preamble_fail.out -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/aims
-copying build/lib/ase/test/testdata/aims/socket.out -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/aims
-copying build/lib/ase/test/testdata/aims/numerical_stress.out -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/aims
-copying build/lib/ase/test/testdata/aims/singlepoint.out -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/aims
-copying build/lib/ase/test/testdata/aims/polarization.out -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/aims
-copying build/lib/ase/test/testdata/aims/md.out -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/aims
+copying build/lib/ase/test/testdata/large_atoms.magres -> build/bdist.linux-x86_64/wheel/./ase/test/testdata
 copying build/lib/ase/test/testdata/README.md -> build/bdist.linux-x86_64/wheel/./ase/test/testdata
-copying build/lib/ase/test/testdata/nomad-images.nomad-json -> build/bdist.linux-x86_64/wheel/./ase/test/testdata
-creating build/bdist.linux-x86_64/wheel/ase/test/testdata/castep
-copying build/lib/ase/test/testdata/castep/md.castep -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/castep
-copying build/lib/ase/test/testdata/gpaw_expected_text_output -> build/bdist.linux-x86_64/wheel/./ase/test/testdata
-creating build/bdist.linux-x86_64/wheel/ase/test/testdata/io
-creating build/bdist.linux-x86_64/wheel/ase/test/testdata/io/eon
-copying build/lib/ase/test/testdata/io/eon/single.con -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/io/eon
-copying build/lib/ase/test/testdata/io/eon/multi.con -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/io/eon
-copying build/lib/ase/test/testdata/qbox_test.xml -> build/bdist.linux-x86_64/wheel/./ase/test/testdata
-creating build/bdist.linux-x86_64/wheel/ase/test/testdata/nwchem
-copying build/lib/ase/test/testdata/nwchem/snippet_multipole_7.0.2-gcc.nwo -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/nwchem
-copying build/lib/ase/test/testdata/nwchem/snippet_multipole_7.0.2-intel.nwo -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/nwchem
-copying build/lib/ase/test/testdata/opls_structure_ext.xyz -> build/bdist.linux-x86_64/wheel/./ase/test/testdata
-copying build/lib/ase/test/testdata/rotated_bz.png -> build/bdist.linux-x86_64/wheel/./ase/test/testdata
-creating build/bdist.linux-x86_64/wheel/ase/test/testdata/minerals
-copying build/lib/ase/test/testdata/minerals/cod_9004112.cif -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/minerals
-copying build/lib/ase/test/testdata/minerals/cod_1010930.cif -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/minerals
-copying build/lib/ase/test/testdata/minerals/cod_9007661.cif -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/minerals
-copying build/lib/ase/test/testdata/minerals/cod_9001665.cif -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/minerals
-copying build/lib/ase/test/testdata/minerals/cod_9017338.cif -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/minerals
-copying build/lib/ase/test/testdata/minerals/cod_9004218.cif -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/minerals
-copying build/lib/ase/test/testdata/minerals/cod_9007640.cif -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/minerals
-copying build/lib/ase/test/testdata/minerals/cod_1010995.cif -> build/bdist.linux-x86_64/wheel/./ase/test/testdata/minerals
-copying build/lib/ase/test/testdata/lammpsdata_input.data -> build/bdist.linux-x86_64/wheel/./ase/test/testdata
 copying build/lib/ase/test/testdata/172_defs.par -> build/bdist.linux-x86_64/wheel/./ase/test/testdata
 copying build/lib/ase/test/testdata/qbox_04_md_ntc.reference.xml -> build/bdist.linux-x86_64/wheel/./ase/test/testdata
-creating build/bdist.linux-x86_64/wheel/ase/test/cell
-copying build/lib/ase/test/cell/test_supercell.py -> build/bdist.linux-x86_64/wheel/./ase/test/cell
-copying build/lib/ase/test/cell/test_niggli_ndim.py -> build/bdist.linux-x86_64/wheel/./ase/test/cell
-copying build/lib/ase/test/cell/test_cell_completion.py -> build/bdist.linux-x86_64/wheel/./ase/test/cell
-copying build/lib/ase/test/cell/test_cell.py -> build/bdist.linux-x86_64/wheel/./ase/test/cell
-copying build/lib/ase/test/cell/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/cell
-copying build/lib/ase/test/cell/test_niggli.py -> build/bdist.linux-x86_64/wheel/./ase/test/cell
-copying build/lib/ase/test/cell/test_cell_conv.py -> build/bdist.linux-x86_64/wheel/./ase/test/cell
-copying build/lib/ase/test/cell/test_minkowski_reduce.py -> build/bdist.linux-x86_64/wheel/./ase/test/cell
-copying build/lib/ase/test/cell/test_cell_uncompletion.py -> build/bdist.linux-x86_64/wheel/./ase/test/cell
-copying build/lib/ase/test/cell/test_standard_form.py -> build/bdist.linux-x86_64/wheel/./ase/test/cell
-copying build/lib/ase/test/cell/test_niggli_op.py -> build/bdist.linux-x86_64/wheel/./ase/test/cell
-copying build/lib/ase/test/cell/test_conventional_map.py -> build/bdist.linux-x86_64/wheel/./ase/test/cell
-creating build/bdist.linux-x86_64/wheel/ase/test/transport
-copying build/lib/ase/test/transport/test_transport_calculator.py -> build/bdist.linux-x86_64/wheel/./ase/test/transport
-copying build/lib/ase/test/transport/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/transport
-creating build/bdist.linux-x86_64/wheel/ase/test/neb
-copying build/lib/ase/test/neb/test_dynamic_neb.py -> build/bdist.linux-x86_64/wheel/./ase/test/neb
-copying build/lib/ase/test/neb/test_COCu111.py -> build/bdist.linux-x86_64/wheel/./ase/test/neb
-copying build/lib/ase/test/neb/test_autoneb.py -> build/bdist.linux-x86_64/wheel/./ase/test/neb
-copying build/lib/ase/test/neb/test_COCu111_2.py -> build/bdist.linux-x86_64/wheel/./ase/test/neb
-copying build/lib/ase/test/neb/test_shared_calculator_neb.py -> build/bdist.linux-x86_64/wheel/./ase/test/neb
-copying build/lib/ase/test/neb/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/neb
-copying build/lib/ase/test/neb/test_idpp.py -> build/bdist.linux-x86_64/wheel/./ase/test/neb
-copying build/lib/ase/test/neb/test_interpolate_images.py -> build/bdist.linux-x86_64/wheel/./ase/test/neb
-copying build/lib/ase/test/neb/test_neb_tr.py -> build/bdist.linux-x86_64/wheel/./ase/test/neb
-copying build/lib/ase/test/neb/test_precon_neb.py -> build/bdist.linux-x86_64/wheel/./ase/test/neb
+copying build/lib/ase/test/test_phasediagram.py -> build/bdist.linux-x86_64/wheel/./ase/test
+creating build/bdist.linux-x86_64/wheel/ase/test/geometry
+copying build/lib/ase/test/geometry/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/geometry
+copying build/lib/ase/test/geometry/test_geometry.py -> build/bdist.linux-x86_64/wheel/./ase/test/geometry
+copying build/lib/ase/test/geometry/test_geometry_derivatives.py -> build/bdist.linux-x86_64/wheel/./ase/test/geometry
+copying build/lib/ase/test/geometry/test_distance.py -> build/bdist.linux-x86_64/wheel/./ase/test/geometry
+copying build/lib/ase/test/geometry/test_geometry_rdf.py -> build/bdist.linux-x86_64/wheel/./ase/test/geometry
+copying build/lib/ase/test/geometry/test_dimensionality.py -> build/bdist.linux-x86_64/wheel/./ase/test/geometry
+copying build/lib/ase/test/geometry/test_analysis.py -> build/bdist.linux-x86_64/wheel/./ase/test/geometry
+copying build/lib/ase/test/test_loggingcalc.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_zmatrix.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_singlepointcalc.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_doctests.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_issue276.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_hcp.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_matplotlib_plot.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_cutoffs.py -> build/bdist.linux-x86_64/wheel/./ase/test
+creating build/bdist.linux-x86_64/wheel/ase/test/optimize
+copying build/lib/ase/test/optimize/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/optimize
+copying build/lib/ase/test/optimize/test_optimizer_restart.py -> build/bdist.linux-x86_64/wheel/./ase/test/optimize
+copying build/lib/ase/test/optimize/test_optimize_stepwise.py -> build/bdist.linux-x86_64/wheel/./ase/test/optimize
+copying build/lib/ase/test/optimize/test_minimahop.py -> build/bdist.linux-x86_64/wheel/./ase/test/optimize
+copying build/lib/ase/test/optimize/test_fire.py -> build/bdist.linux-x86_64/wheel/./ase/test/optimize
+copying build/lib/ase/test/optimize/test_climb_fix_internals.py -> build/bdist.linux-x86_64/wheel/./ase/test/optimize
+copying build/lib/ase/test/optimize/test_optimizers.py -> build/bdist.linux-x86_64/wheel/./ase/test/optimize
+copying build/lib/ase/test/optimize/test_replay.py -> build/bdist.linux-x86_64/wheel/./ase/test/optimize
+copying build/lib/ase/test/optimize/test_nsteps.py -> build/bdist.linux-x86_64/wheel/./ase/test/optimize
+copying build/lib/ase/test/optimize/test_cellawarebfgs.py -> build/bdist.linux-x86_64/wheel/./ase/test/optimize
+copying build/lib/ase/test/optimize/test_bad_restart.py -> build/bdist.linux-x86_64/wheel/./ase/test/optimize
+copying build/lib/ase/test/optimize/test_maxstep.py -> build/bdist.linux-x86_64/wheel/./ase/test/optimize
+copying build/lib/ase/test/optimize/test_fire2.py -> build/bdist.linux-x86_64/wheel/./ase/test/optimize
 creating build/bdist.linux-x86_64/wheel/ase/test/fio
-copying build/lib/ase/test/fio/test_trajectory.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-copying build/lib/ase/test/fio/test_povray.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_vasp_structure.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_cfg.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_dmol.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/conftest.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_match_magic.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_siesta.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_atoms_bytes.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
 copying build/lib/ase/test/fio/test_jsonio_atoms.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-copying build/lib/ase/test/fio/test_ulm.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-creating build/bdist.linux-x86_64/wheel/ase/test/fio/octopus
-copying build/lib/ase/test/fio/octopus/test_output.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio/octopus
-copying build/lib/ase/test/fio/octopus/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio/octopus
-copying build/lib/ase/test/fio/octopus/test_input.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio/octopus
 copying build/lib/ase/test/fio/test_ace.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-copying build/lib/ase/test/fio/test_proteindatabank.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-copying build/lib/ase/test/fio/test_xsd_bond.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-copying build/lib/ase/test/fio/test_pickle_bundle_trajectory.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_gpaw.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_ulm.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
 copying build/lib/ase/test/fio/test_external_io_formats.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-copying build/lib/ase/test/fio/test_eon_readwrite.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-copying build/lib/ase/test/fio/test_siesta.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-copying build/lib/ase/test/fio/test_mustem.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-copying build/lib/ase/test/fio/test_elk.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_fileobj.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_sdf.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
 copying build/lib/ase/test/fio/test_compression.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_mustem.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
 copying build/lib/ase/test/fio/test_cifblock.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-creating build/bdist.linux-x86_64/wheel/ase/test/fio/vasp
-copying build/lib/ase/test/fio/vasp/test_vasp_out.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio/vasp
-copying build/lib/ase/test/fio/vasp/test_read_vasp_xml.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio/vasp
-copying build/lib/ase/test/fio/vasp/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio/vasp
-copying build/lib/ase/test/fio/vasp/test_poscar.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio/vasp
-copying build/lib/ase/test/fio/vasp/test_incar_writer.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio/vasp
-copying build/lib/ase/test/fio/vasp/test_vasp_poscar.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio/vasp
-copying build/lib/ase/test/fio/vasp/test_vasp_outcar_parsers.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio/vasp
-creating build/bdist.linux-x86_64/wheel/ase/test/fio/aims
-copying build/lib/ase/test/fio/aims/test_geometry.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio/aims
-copying build/lib/ase/test/fio/aims/test_aims_out.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio/aims
-copying build/lib/ase/test/fio/aims/test_write_control.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio/aims
-copying build/lib/ase/test/fio/aims/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio/aims
-copying build/lib/ase/test/fio/aims/test_aims_out_chunks.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio/aims
+copying build/lib/ase/test/fio/test_xsd_bond.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_v_sim.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_pycodcif_read.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_pdb_cell_io.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_nomad.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_dftb.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_oldtraj.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_dlp.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_oi.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
 copying build/lib/ase/test/fio/test_traj_bytesio.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-copying build/lib/ase/test/fio/test_prismatic.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-copying build/lib/ase/test/fio/test_lammpsdump.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-copying build/lib/ase/test/fio/test_iread_path.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-copying build/lib/ase/test/fio/test_parallel.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-copying build/lib/ase/test/fio/test_cube.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-creating build/bdist.linux-x86_64/wheel/ase/test/fio/exciting
-copying build/lib/ase/test/fio/exciting/test_exciting.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio/exciting
-copying build/lib/ase/test/fio/exciting/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio/exciting
-copying build/lib/ase/test/fio/test_wout.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-copying build/lib/ase/test/fio/test_magmom.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-copying build/lib/ase/test/fio/test_nwchem.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-copying build/lib/ase/test/fio/test_abinit.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_povray.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_eon_readwrite.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_elk.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
 creating build/bdist.linux-x86_64/wheel/ase/test/fio/castep
-copying build/lib/ase/test/fio/castep/test_read_bands.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio/castep
-copying build/lib/ase/test/fio/castep/test_castep_reader.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio/castep
 copying build/lib/ase/test/fio/castep/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio/castep
-copying build/lib/ase/test/fio/test_gen.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-copying build/lib/ase/test/fio/test_gpumd.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-copying build/lib/ase/test/fio/test_castep.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-copying build/lib/ase/test/fio/test_v_sim.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-copying build/lib/ase/test/fio/test_gaussian_gjf_input.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-copying build/lib/ase/test/fio/test_jsonio.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-copying build/lib/ase/test/fio/test_trajectory_heterogeneous.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-copying build/lib/ase/test/fio/test_cjson.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-copying build/lib/ase/test/fio/test_pdb_extra.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/castep/test_castep_reader.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio/castep
+copying build/lib/ase/test/fio/castep/test_read_bands.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio/castep
 copying build/lib/ase/test/fio/test_readwrite_errors.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_xsf_spec.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_opls.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
 copying build/lib/ase/test/fio/test_turbomole.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-copying build/lib/ase/test/fio/test_oi.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-copying build/lib/ase/test/fio/test_formats.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-copying build/lib/ase/test/fio/test_xyz.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-copying build/lib/ase/test/fio/test_gpaw.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_qbox.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_trajectory.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_ulm_dummy.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
 copying build/lib/ase/test/fio/test_gaussian.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_amber.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_magmom.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_espresso.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_prismatic.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
 copying build/lib/ase/test/fio/test_bundletrajectory.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-copying build/lib/ase/test/fio/test_json_arrays.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
 copying build/lib/ase/test/fio/test_extxyz.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
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-copying build/lib/ase/test/fio/test_magres.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_proteindatabank.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+creating build/bdist.linux-x86_64/wheel/ase/test/fio/octopus
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+copying build/lib/ase/test/fio/octopus/test_input.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio/octopus
+copying build/lib/ase/test/fio/octopus/test_output.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio/octopus
+copying build/lib/ase/test/fio/test_gaussian_out.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_cube.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
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+copying build/lib/ase/test/fio/test_gaussian_gjf_input.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+creating build/bdist.linux-x86_64/wheel/ase/test/fio/aims
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+copying build/lib/ase/test/fio/aims/test_aims_out_chunks.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio/aims
+creating build/bdist.linux-x86_64/wheel/ase/test/fio/vasp
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+copying build/lib/ase/test/fio/vasp/test_vasp_outcar_parsers.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio/vasp
+copying build/lib/ase/test/fio/vasp/test_vasp_poscar.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio/vasp
+copying build/lib/ase/test/fio/vasp/test_poscar.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio/vasp
+copying build/lib/ase/test/fio/vasp/test_incar_writer.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio/vasp
+copying build/lib/ase/test/fio/test_formats.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
 copying build/lib/ase/test/fio/test_eon_multi_image_read.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
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-copying build/lib/ase/test/fio/test_opls.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_magres.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_gpumd.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_openmx.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
 copying build/lib/ase/test/fio/test_ioformats.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-copying build/lib/ase/test/fio/test_espresso.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
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-copying build/lib/ase/test/fio/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
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 copying build/lib/ase/test/fio/test_netcdftrajectory.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
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-copying build/lib/ase/test/fio/test_res.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
-copying build/lib/ase/test/fio/test_openmx.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_json_arrays.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
 copying build/lib/ase/test/fio/test_orca.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
 copying build/lib/ase/test/fio/test_espresso_ph.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
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-copying build/lib/ase/test/fio/test_xsf_spec.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
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 copying build/lib/ase/test/fio/test_info.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
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-copying build/lib/ase/test/md/test_CO2linear_Au111_langevin.py -> build/bdist.linux-x86_64/wheel/./ase/test/md
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-copying build/lib/ase/test/md/test_md_logger.py -> build/bdist.linux-x86_64/wheel/./ase/test/md
-copying build/lib/ase/test/md/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/md
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-creating build/bdist.linux-x86_64/wheel/ase/test/lammpsdata
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-creating build/bdist.linux-x86_64/wheel/ase/test/neighbor
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-creating build/bdist.linux-x86_64/wheel/ase/test/build_
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-copying build/lib/ase/test/test_isotopes.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/fio/test_pdb_extra.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_gen.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_pickle_bundle_trajectory.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_iread_path.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_jsonio.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_parallel.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_res.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
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+copying build/lib/ase/test/fio/test_rmc6f.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+creating build/bdist.linux-x86_64/wheel/ase/test/fio/exciting
+copying build/lib/ase/test/fio/exciting/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio/exciting
+copying build/lib/ase/test/fio/exciting/test_exciting.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio/exciting
+copying build/lib/ase/test/fio/test_abinit.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_cjson.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_cif.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
+copying build/lib/ase/test/fio/test_onetep.py -> build/bdist.linux-x86_64/wheel/./ase/test/fio
 copying build/lib/ase/test/test_mixingcalc.py -> build/bdist.linux-x86_64/wheel/./ase/test
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-copying build/lib/ase/test/test_xrdebye.py -> build/bdist.linux-x86_64/wheel/./ase/test
-copying build/lib/ase/test/test_structure_comparator.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_calc_outputs_big.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_s22.py -> build/bdist.linux-x86_64/wheel/./ase/test
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+copying build/lib/ase/test/test_calculator_equal.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/factories.py -> build/bdist.linux-x86_64/wheel/./ase/test
 creating build/bdist.linux-x86_64/wheel/ase/test/forcefields
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-copying build/lib/ase/test/forcefields/test_combine_mm2.py -> build/bdist.linux-x86_64/wheel/./ase/test/forcefields
-copying build/lib/ase/test/forcefields/test_combine_mm.py -> build/bdist.linux-x86_64/wheel/./ase/test/forcefields
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-copying build/lib/ase/test/forcefields/test_qmmm_acn.py -> build/bdist.linux-x86_64/wheel/./ase/test/forcefields
 copying build/lib/ase/test/forcefields/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/forcefields
+copying build/lib/ase/test/forcefields/test_utils_ff_vdw.py -> build/bdist.linux-x86_64/wheel/./ase/test/forcefields
+copying build/lib/ase/test/forcefields/test_counterions.py -> build/bdist.linux-x86_64/wheel/./ase/test/forcefields
+copying build/lib/ase/test/forcefields/test_rattle.py -> build/bdist.linux-x86_64/wheel/./ase/test/forcefields
+copying build/lib/ase/test/forcefields/test_aic.py -> build/bdist.linux-x86_64/wheel/./ase/test/forcefields
 copying build/lib/ase/test/forcefields/test_rattle_linear.py -> build/bdist.linux-x86_64/wheel/./ase/test/forcefields
+copying build/lib/ase/test/forcefields/test_forceqmmm.py -> build/bdist.linux-x86_64/wheel/./ase/test/forcefields
+copying build/lib/ase/test/forcefields/test_tipnp.py -> build/bdist.linux-x86_64/wheel/./ase/test/forcefields
 copying build/lib/ase/test/forcefields/test_qmmm.py -> build/bdist.linux-x86_64/wheel/./ase/test/forcefields
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-copying build/lib/ase/test/forcefields/test_utils_ff_vdw.py -> build/bdist.linux-x86_64/wheel/./ase/test/forcefields
+copying build/lib/ase/test/forcefields/test_combine_mm.py -> build/bdist.linux-x86_64/wheel/./ase/test/forcefields
 copying build/lib/ase/test/forcefields/test_tip4p.py -> build/bdist.linux-x86_64/wheel/./ase/test/forcefields
-copying build/lib/ase/test/test_cluster.py -> build/bdist.linux-x86_64/wheel/./ase/test
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-copying build/lib/ase/test/test_calc_outputs_big.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/forcefields/test_combine_mm2.py -> build/bdist.linux-x86_64/wheel/./ase/test/forcefields
+copying build/lib/ase/test/forcefields/test_qmmm_acn.py -> build/bdist.linux-x86_64/wheel/./ase/test/forcefields
+copying build/lib/ase/test/forcefields/test_acn.py -> build/bdist.linux-x86_64/wheel/./ase/test/forcefields
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+copying build/lib/ase/test/test_formula.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_units.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_isotopes.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_singlepoint_dft_calc.py -> build/bdist.linux-x86_64/wheel/./ase/test
 creating build/bdist.linux-x86_64/wheel/ase/test/gui
-copying build/lib/ase/test/gui/test_run.py -> build/bdist.linux-x86_64/wheel/./ase/test/gui
 copying build/lib/ase/test/gui/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/gui
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-copying build/lib/ase/test/test_doctests.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/gui/test_run.py -> build/bdist.linux-x86_64/wheel/./ase/test/gui
+copying build/lib/ase/test/pytest.ini -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_bader.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_symbols.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_example.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_pourbaix.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_phonons.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/testsuite.py -> build/bdist.linux-x86_64/wheel/./ase/test
+creating build/bdist.linux-x86_64/wheel/ase/test/filter
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+creating build/bdist.linux-x86_64/wheel/ase/test/neighbor
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+copying build/lib/ase/test/neighbor/test_neighbor_initialization.py -> build/bdist.linux-x86_64/wheel/./ase/test/neighbor
+copying build/lib/ase/test/neighbor/test_neighbor_kernel.py -> build/bdist.linux-x86_64/wheel/./ase/test/neighbor
+copying build/lib/ase/test/neighbor/test_neighbor.py -> build/bdist.linux-x86_64/wheel/./ase/test/neighbor
+copying build/lib/ase/test/test_ptable.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_versionnumber.py -> build/bdist.linux-x86_64/wheel/./ase/test
 creating build/bdist.linux-x86_64/wheel/ase/test/dft
+copying build/lib/ase/test/dft/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/dft
+copying build/lib/ase/test/dft/test_kpt_density_monkhorst_pack.py -> build/bdist.linux-x86_64/wheel/./ase/test/dft
 copying build/lib/ase/test/dft/test_monoclinic.py -> build/bdist.linux-x86_64/wheel/./ase/test/dft
-copying build/lib/ase/test/dft/test_bz.py -> build/bdist.linux-x86_64/wheel/./ase/test/dft
 copying build/lib/ase/test/dft/test_hex.py -> build/bdist.linux-x86_64/wheel/./ase/test/dft
-copying build/lib/ase/test/dft/test_bee.py -> build/bdist.linux-x86_64/wheel/./ase/test/dft
 copying build/lib/ase/test/dft/test_kpts_size_offsets.py -> build/bdist.linux-x86_64/wheel/./ase/test/dft
-copying build/lib/ase/test/dft/test_interpolate.py -> build/bdist.linux-x86_64/wheel/./ase/test/dft
-copying build/lib/ase/test/dft/test_min_distance_monkhorst_pack.py -> build/bdist.linux-x86_64/wheel/./ase/test/dft
-copying build/lib/ase/test/dft/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/dft
 copying build/lib/ase/test/dft/test_bandgap.py -> build/bdist.linux-x86_64/wheel/./ase/test/dft
+copying build/lib/ase/test/dft/test_bee.py -> build/bdist.linux-x86_64/wheel/./ase/test/dft
 copying build/lib/ase/test/dft/test_dos.py -> build/bdist.linux-x86_64/wheel/./ase/test/dft
-copying build/lib/ase/test/dft/test_kpt_density_monkhorst_pack.py -> build/bdist.linux-x86_64/wheel/./ase/test/dft
+copying build/lib/ase/test/dft/test_interpolate.py -> build/bdist.linux-x86_64/wheel/./ase/test/dft
+copying build/lib/ase/test/dft/test_bz.py -> build/bdist.linux-x86_64/wheel/./ase/test/dft
+copying build/lib/ase/test/dft/test_min_distance_monkhorst_pack.py -> build/bdist.linux-x86_64/wheel/./ase/test/dft
+copying build/lib/ase/test/test_calculator_label.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_springcalc.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_eos.py -> build/bdist.linux-x86_64/wheel/./ase/test
+creating build/bdist.linux-x86_64/wheel/ase/test/transport
+copying build/lib/ase/test/transport/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/transport
+copying build/lib/ase/test/transport/test_transport_calculator.py -> build/bdist.linux-x86_64/wheel/./ase/test/transport
+creating build/bdist.linux-x86_64/wheel/ase/test/lammpsdata
+copying build/lib/ase/test/lammpsdata/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/lammpsdata
+copying build/lib/ase/test/lammpsdata/conftest.py -> build/bdist.linux-x86_64/wheel/./ase/test/lammpsdata
+copying build/lib/ase/test/lammpsdata/test_write_and_read.py -> build/bdist.linux-x86_64/wheel/./ase/test/lammpsdata
+copying build/lib/ase/test/lammpsdata/comparison.py -> build/bdist.linux-x86_64/wheel/./ase/test/lammpsdata
+copying build/lib/ase/test/lammpsdata/test_lammpsdata_write.py -> build/bdist.linux-x86_64/wheel/./ase/test/lammpsdata
+copying build/lib/ase/test/lammpsdata/test_read_connectivity.py -> build/bdist.linux-x86_64/wheel/./ase/test/lammpsdata
+copying build/lib/ase/test/lammpsdata/test_lammpsdata_read.py -> build/bdist.linux-x86_64/wheel/./ase/test/lammpsdata
+copying build/lib/ase/test/lammpsdata/parse_lammps_data_file.py -> build/bdist.linux-x86_64/wheel/./ase/test/lammpsdata
+copying build/lib/ase/test/test_thermochemistry.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_dimer.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_properties.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_distmom.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_stm.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_pubchem.py -> build/bdist.linux-x86_64/wheel/./ase/test
+creating build/bdist.linux-x86_64/wheel/ase/test/spacegroup
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+copying build/lib/ase/test/spacegroup/test_spacegroup_utils.py -> build/bdist.linux-x86_64/wheel/./ase/test/spacegroup
+copying build/lib/ase/test/spacegroup/test_spacegroup.py -> build/bdist.linux-x86_64/wheel/./ase/test/spacegroup
+copying build/lib/ase/test/spacegroup/test_minerals.py -> build/bdist.linux-x86_64/wheel/./ase/test/spacegroup
+copying build/lib/ase/test/spacegroup/test_spacegroup_crystal.py -> build/bdist.linux-x86_64/wheel/./ase/test/spacegroup
+copying build/lib/ase/test/spacegroup/test_space_group_data.py -> build/bdist.linux-x86_64/wheel/./ase/test/spacegroup
+creating build/bdist.linux-x86_64/wheel/ase/test/md
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+copying build/lib/ase/test/md/test_ce_logging.py -> build/bdist.linux-x86_64/wheel/./ase/test/md
+copying build/lib/ase/test/md/test_idealgas.py -> build/bdist.linux-x86_64/wheel/./ase/test/md
+copying build/lib/ase/test/md/test_nose_hoover_chain.py -> build/bdist.linux-x86_64/wheel/./ase/test/md
+copying build/lib/ase/test/md/test_nvt_npt.py -> build/bdist.linux-x86_64/wheel/./ase/test/md
+copying build/lib/ase/test/md/test_rng.py -> build/bdist.linux-x86_64/wheel/./ase/test/md
+copying build/lib/ase/test/md/test_langevin_com.py -> build/bdist.linux-x86_64/wheel/./ase/test/md
+copying build/lib/ase/test/md/test_velocity_distribution.py -> build/bdist.linux-x86_64/wheel/./ase/test/md
+copying build/lib/ase/test/md/test_maxwellboltzmann.py -> build/bdist.linux-x86_64/wheel/./ase/test/md
+copying build/lib/ase/test/md/test_fixrotation.py -> build/bdist.linux-x86_64/wheel/./ase/test/md
+copying build/lib/ase/test/md/test_bussi.py -> build/bdist.linux-x86_64/wheel/./ase/test/md
+copying build/lib/ase/test/md/test_md_logger.py -> build/bdist.linux-x86_64/wheel/./ase/test/md
+copying build/lib/ase/test/md/test_ce_curvature.py -> build/bdist.linux-x86_64/wheel/./ase/test/md
+copying build/lib/ase/test/md/test_verlet_thermostats_asap.py -> build/bdist.linux-x86_64/wheel/./ase/test/md
+copying build/lib/ase/test/md/test_langevin_switching.py -> build/bdist.linux-x86_64/wheel/./ase/test/md
+copying build/lib/ase/test/md/test_CO2linear_Au111_langevin.py -> build/bdist.linux-x86_64/wheel/./ase/test/md
+copying build/lib/ase/test/md/test_phonon_md_init.py -> build/bdist.linux-x86_64/wheel/./ase/test/md
+copying build/lib/ase/test/md/test_ce_potentiostat.py -> build/bdist.linux-x86_64/wheel/./ase/test/md
+copying build/lib/ase/test/md/test_md.py -> build/bdist.linux-x86_64/wheel/./ase/test/md
+copying build/lib/ase/test/md/test_md_logger_interval.py -> build/bdist.linux-x86_64/wheel/./ase/test/md
+copying build/lib/ase/test/md/test_langevin_asapcompat.py -> build/bdist.linux-x86_64/wheel/./ase/test/md
+copying build/lib/ase/test/test_x3d.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_nwchem_writer.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_dos.py -> build/bdist.linux-x86_64/wheel/./ase/test
 creating build/bdist.linux-x86_64/wheel/ase/test/spectrum
-copying build/lib/ase/test/spectrum/test_doscollection.py -> build/bdist.linux-x86_64/wheel/./ase/test/spectrum
-copying build/lib/ase/test/spectrum/test_dosdata.py -> build/bdist.linux-x86_64/wheel/./ase/test/spectrum
 copying build/lib/ase/test/spectrum/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/spectrum
-copying build/lib/ase/test/test_external_viewer.py -> build/bdist.linux-x86_64/wheel/./ase/test
-copying build/lib/ase/test/conftest.py -> build/bdist.linux-x86_64/wheel/./ase/test
-copying build/lib/ase/test/test_lock.py -> build/bdist.linux-x86_64/wheel/./ase/test
-copying build/lib/ase/test/test_gromacs.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/spectrum/test_dosdata.py -> build/bdist.linux-x86_64/wheel/./ase/test/spectrum
+copying build/lib/ase/test/spectrum/test_doscollection.py -> build/bdist.linux-x86_64/wheel/./ase/test/spectrum
+copying build/lib/ase/test/test_forcecurve.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_basin.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_makebandpath.py -> build/bdist.linux-x86_64/wheel/./ase/test
 creating build/bdist.linux-x86_64/wheel/ase/test/calculator
-creating build/bdist.linux-x86_64/wheel/ase/test/calculator/octopus
-copying build/lib/ase/test/calculator/octopus/test_big.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/octopus
-copying build/lib/ase/test/calculator/octopus/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/octopus
-copying build/lib/ase/test/calculator/test_polarizability.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
-creating build/bdist.linux-x86_64/wheel/ase/test/calculator/gamess_us
-copying build/lib/ase/test/calculator/gamess_us/test_basis_ecp.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/gamess_us
-copying build/lib/ase/test/calculator/gamess_us/test_gamess_us.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/gamess_us
-copying build/lib/ase/test/calculator/gamess_us/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/gamess_us
-copying build/lib/ase/test/calculator/test_orca_qmmm.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
+copying build/lib/ase/test/calculator/test_fd.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
+copying build/lib/ase/test/calculator/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
+copying build/lib/ase/test/calculator/test_mopac.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
 creating build/bdist.linux-x86_64/wheel/ase/test/calculator/kim
-copying build/lib/ase/test/calculator/kim/test_update_coords.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/kim
-copying build/lib/ase/test/calculator/kim/test_update_neighbor_parameters.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/kim
-copying build/lib/ase/test/calculator/kim/test_modify_parameters.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/kim
-copying build/lib/ase/test/calculator/kim/test_multi_neighlist.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/kim
-copying build/lib/ase/test/calculator/kim/test_relax.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/kim
-copying build/lib/ase/test/calculator/kim/test_single_atom.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/kim
 copying build/lib/ase/test/calculator/kim/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/kim
+copying build/lib/ase/test/calculator/kim/test_relax.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/kim
+copying build/lib/ase/test/calculator/kim/test_update_neighbor_parameters.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/kim
 copying build/lib/ase/test/calculator/kim/test_cutoff_skin.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/kim
 copying build/lib/ase/test/calculator/kim/test_energy_forces_stress.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/kim
-creating build/bdist.linux-x86_64/wheel/ase/test/calculator/amber
-copying build/lib/ase/test/calculator/amber/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/amber
-copying build/lib/ase/test/calculator/amber/test_amber.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/amber
-creating build/bdist.linux-x86_64/wheel/ase/test/calculator/demon
-copying build/lib/ase/test/calculator/demon/test_h2o.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/demon
-copying build/lib/ase/test/calculator/demon/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/demon
-copying build/lib/ase/test/calculator/demon/test_h2o_xas_xes.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/demon
+copying build/lib/ase/test/calculator/kim/test_multi_neighlist.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/kim
+copying build/lib/ase/test/calculator/kim/test_single_atom.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/kim
+copying build/lib/ase/test/calculator/kim/test_modify_parameters.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/kim
+copying build/lib/ase/test/calculator/kim/test_update_coords.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/kim
+copying build/lib/ase/test/calculator/conftest.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
+creating build/bdist.linux-x86_64/wheel/ase/test/calculator/lammps
+copying build/lib/ase/test/calculator/lammps/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammps
+copying build/lib/ase/test/calculator/lammps/test_prism.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammps
 creating build/bdist.linux-x86_64/wheel/ase/test/calculator/cp2k
-copying build/lib/ase/test/calculator/cp2k/test_cp2k_dcd.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/cp2k
+copying build/lib/ase/test/calculator/cp2k/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/cp2k
+copying build/lib/ase/test/calculator/cp2k/test_cp2k_restart.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/cp2k
 copying build/lib/ase/test/calculator/cp2k/test_cp2k_H2_None.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/cp2k
 copying build/lib/ase/test/calculator/cp2k/test_cp2k_many.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/cp2k
-copying build/lib/ase/test/calculator/cp2k/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/cp2k
 copying build/lib/ase/test/calculator/cp2k/test_cp2k_stress.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/cp2k
-copying build/lib/ase/test/calculator/cp2k/test_cp2k_restart.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/cp2k
-copying build/lib/ase/test/calculator/test_lj.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
+copying build/lib/ase/test/calculator/cp2k/test_cp2k_dcd.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/cp2k
+creating build/bdist.linux-x86_64/wheel/ase/test/calculator/gpaw_
+copying build/lib/ase/test/calculator/gpaw_/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/gpaw_
+copying build/lib/ase/test/calculator/gpaw_/test_wannier.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/gpaw_
+copying build/lib/ase/test/calculator/gpaw_/test_read_text_output.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/gpaw_
+copying build/lib/ase/test/calculator/gpaw_/test_no_spin_and_spin.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/gpaw_
+copying build/lib/ase/test/calculator/test_command.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
+creating build/bdist.linux-x86_64/wheel/ase/test/calculator/dftb
+copying build/lib/ase/test/calculator/dftb/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/dftb
+copying build/lib/ase/test/calculator/dftb/test_dipole.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/dftb
+copying build/lib/ase/test/calculator/dftb/test_xtb_static.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/dftb
+copying build/lib/ase/test/calculator/dftb/test_dftb_relax_dimer.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/dftb
+copying build/lib/ase/test/calculator/dftb/test_dftb_relax_surface.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/dftb
+copying build/lib/ase/test/calculator/dftb/test_dftb_bandstructure.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/dftb
+copying build/lib/ase/test/calculator/dftb/test_dftb_relax_bulk.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/dftb
+creating build/bdist.linux-x86_64/wheel/ase/test/calculator/plumed
+copying build/lib/ase/test/calculator/plumed/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/plumed
+copying build/lib/ase/test/calculator/plumed/test_plumed.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/plumed
+creating build/bdist.linux-x86_64/wheel/ase/test/calculator/ace
+copying build/lib/ase/test/calculator/ace/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/ace
+copying build/lib/ase/test/calculator/ace/test_ace.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/ace
+copying build/lib/ase/test/calculator/ace/test_ace_calculator.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/ace
+copying build/lib/ase/test/calculator/test_h2.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
+creating build/bdist.linux-x86_64/wheel/ase/test/calculator/gaussian
+copying build/lib/ase/test/calculator/gaussian/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/gaussian
+copying build/lib/ase/test/calculator/gaussian/test_optimizer_irc.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/gaussian
+copying build/lib/ase/test/calculator/gaussian/test_h2of.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/gaussian
+copying build/lib/ase/test/calculator/gaussian/test_water.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/gaussian
+creating build/bdist.linux-x86_64/wheel/ase/test/calculator/gamess_us
+copying build/lib/ase/test/calculator/gamess_us/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/gamess_us
+copying build/lib/ase/test/calculator/gamess_us/test_basis_ecp.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/gamess_us
+copying build/lib/ase/test/calculator/gamess_us/test_gamess_us.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/gamess_us
+creating build/bdist.linux-x86_64/wheel/ase/test/calculator/socketio
+copying build/lib/ase/test/calculator/socketio/test_h2_stiffness.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/socketio
+copying build/lib/ase/test/calculator/socketio/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/socketio
+copying build/lib/ase/test/calculator/socketio/test_python_interface.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/socketio
+copying build/lib/ase/test/calculator/socketio/test_ipi_protocol_bfgs.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/socketio
+copying build/lib/ase/test/calculator/socketio/test_socket_io_mpi_line.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/socketio
+copying build/lib/ase/test/calculator/socketio/test_integration.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/socketio
+creating build/bdist.linux-x86_64/wheel/ase/test/calculator/openmx
+copying build/lib/ase/test/calculator/openmx/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/openmx
+copying build/lib/ase/test/calculator/openmx/test_md.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/openmx
+copying build/lib/ase/test/calculator/openmx/test_version.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/openmx
 creating build/bdist.linux-x86_64/wheel/ase/test/calculator/dmol
-copying build/lib/ase/test/calculator/dmol/test_water_dmol.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/dmol
 copying build/lib/ase/test/calculator/dmol/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/dmol
 copying build/lib/ase/test/calculator/dmol/test_Al_dmol.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/dmol
-copying build/lib/ase/test/calculator/test_traj.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
+copying build/lib/ase/test/calculator/dmol/test_water_dmol.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/dmol
+creating build/bdist.linux-x86_64/wheel/ase/test/calculator/nwchem
+copying build/lib/ase/test/calculator/nwchem/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/nwchem
+copying build/lib/ase/test/calculator/nwchem/test_nwchem_parser.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/nwchem
+copying build/lib/ase/test/calculator/nwchem/test_nwchem_broken_symmetry.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/nwchem
+copying build/lib/ase/test/calculator/nwchem/test_nwchem_cmdline.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/nwchem
+copying build/lib/ase/test/calculator/nwchem/test_nwchem_version.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/nwchem
+copying build/lib/ase/test/calculator/nwchem/test_nwchem_multitask.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/nwchem
+copying build/lib/ase/test/calculator/nwchem/test_nwchem_stress.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/nwchem
+copying build/lib/ase/test/calculator/nwchem/test_nwchem_bands.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/nwchem
+copying build/lib/ase/test/calculator/nwchem/test_nwchem_h3o2m.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/nwchem
+copying build/lib/ase/test/calculator/nwchem/test_nwchem_eigenvalues.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/nwchem
+copying build/lib/ase/test/calculator/nwchem/test_nwchem_runmany.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/nwchem
+copying build/lib/ase/test/calculator/nwchem/test_nwchem_spin_symmetry.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/nwchem
+copying build/lib/ase/test/calculator/test_ts09.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
+copying build/lib/ase/test/calculator/test_eam_run.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
+creating build/bdist.linux-x86_64/wheel/ase/test/calculator/psi4
+copying build/lib/ase/test/calculator/psi4/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/psi4
+copying build/lib/ase/test/calculator/psi4/test_psi4_HF_3_21G.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/psi4
+creating build/bdist.linux-x86_64/wheel/ase/test/calculator/castep
+copying build/lib/ase/test/calculator/castep/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/castep
+copying build/lib/ase/test/calculator/castep/test_castep_interface.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/castep
+creating build/bdist.linux-x86_64/wheel/ase/test/calculator/elk
+copying build/lib/ase/test/calculator/elk/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/elk
+copying build/lib/ase/test/calculator/elk/test_elk.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/elk
+copying build/lib/ase/test/calculator/test_polarizability.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
+copying build/lib/ase/test/calculator/test_morse.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
+copying build/lib/ase/test/calculator/test_h2_bond_force.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
+copying build/lib/ase/test/calculator/test_al.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
+creating build/bdist.linux-x86_64/wheel/ase/test/calculator/octopus
+copying build/lib/ase/test/calculator/octopus/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/octopus
+copying build/lib/ase/test/calculator/octopus/test_big.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/octopus
+creating build/bdist.linux-x86_64/wheel/ase/test/calculator/onetep
+copying build/lib/ase/test/calculator/onetep/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/onetep
+copying build/lib/ase/test/calculator/onetep/test_onetep.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/onetep
+creating build/bdist.linux-x86_64/wheel/ase/test/calculator/lammpslib
+copying build/lib/ase/test/calculator/lammpslib/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammpslib
+copying build/lib/ase/test/calculator/lammpslib/conftest.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammpslib
+copying build/lib/ase/test/calculator/lammpslib/test_lammpslib_simple.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammpslib
+copying build/lib/ase/test/calculator/lammpslib/test_lammpslib_post_changebox_cmds.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammpslib
+copying build/lib/ase/test/calculator/lammpslib/test_Pt_stress_cellopt.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammpslib
+copying build/lib/ase/test/calculator/lammpslib/test_lammpslib_small_nonperiodic.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammpslib
+copying build/lib/ase/test/calculator/lammpslib/test_lammpslib_neighlist_bug.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammpslib
+copying build/lib/ase/test/calculator/lammpslib/test_lammpslib_change_cell_bcs.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammpslib
+copying build/lib/ase/test/calculator/test_gulp.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
+creating build/bdist.linux-x86_64/wheel/ase/test/calculator/aims
+copying build/lib/ase/test/calculator/aims/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/aims
+copying build/lib/ase/test/calculator/aims/test_aims_interface.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/aims
+copying build/lib/ase/test/calculator/aims/test_H2O_aims.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/aims
+copying build/lib/ase/test/calculator/aims/test_version.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/aims
 creating build/bdist.linux-x86_64/wheel/ase/test/calculator/vasp
-copying build/lib/ase/test/calculator/vasp/test_chgcar.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
 copying build/lib/ase/test/calculator/vasp/test_vasp_Al_volrelax.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
-copying build/lib/ase/test/calculator/vasp/test_vasp_check_state.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
-copying build/lib/ase/test/calculator/vasp/test_vasp_xml.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
-copying build/lib/ase/test/calculator/vasp/test_vasp_get_dos.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
+copying build/lib/ase/test/calculator/vasp/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
+copying build/lib/ase/test/calculator/vasp/conftest.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
+copying build/lib/ase/test/calculator/vasp/test_vasp_freq.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
+copying build/lib/ase/test/calculator/vasp/test_vasp_co.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
 copying build/lib/ase/test/calculator/vasp/test_vasp_converge.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
-copying build/lib/ase/test/calculator/vasp/test_version.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
 copying build/lib/ase/test/calculator/vasp/test_vasp_setup.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
+copying build/lib/ase/test/calculator/vasp/test_vasp_xml.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
+copying build/lib/ase/test/calculator/vasp/filecmp_ignore_whitespace.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
+copying build/lib/ase/test/calculator/vasp/test_vasp_check_state.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
+copying build/lib/ase/test/calculator/vasp/test_vasp_charge.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
 copying build/lib/ase/test/calculator/vasp/test_vasp_calculator.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
+copying build/lib/ase/test/calculator/vasp/test_vasp_errors.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
 copying build/lib/ase/test/calculator/vasp/test_vasp_wdir.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
-copying build/lib/ase/test/calculator/vasp/test_vasp_freq.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
-copying build/lib/ase/test/calculator/vasp/test_vasp_co.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
-copying build/lib/ase/test/calculator/vasp/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
 copying build/lib/ase/test/calculator/vasp/test_vasp_potcar.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
-copying build/lib/ase/test/calculator/vasp/test_vasp_kpoints.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
-copying build/lib/ase/test/calculator/vasp/filecmp_ignore_whitespace.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
+copying build/lib/ase/test/calculator/vasp/test_chgcar.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
+copying build/lib/ase/test/calculator/vasp/test_vasp_get_dos.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
 copying build/lib/ase/test/calculator/vasp/test_vasp_incar.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
-copying build/lib/ase/test/calculator/vasp/conftest.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
+copying build/lib/ase/test/calculator/vasp/test_vasp_kpoints.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
 copying build/lib/ase/test/calculator/vasp/test_vasp_input.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
-copying build/lib/ase/test/calculator/vasp/test_vasp_charge.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
-copying build/lib/ase/test/calculator/vasp/test_vasp_errors.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
-creating build/bdist.linux-x86_64/wheel/ase/test/calculator/crystal
-copying build/lib/ase/test/calculator/crystal/test_graphene.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/crystal
-copying build/lib/ase/test/calculator/crystal/test_bulk.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/crystal
-copying build/lib/ase/test/calculator/crystal/test_molecule.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/crystal
-copying build/lib/ase/test/calculator/crystal/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/crystal
-creating build/bdist.linux-x86_64/wheel/ase/test/calculator/lammpsrun
-copying build/lib/ase/test/calculator/lammpsrun/test_Pt_stress_cellopt.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammpsrun
-copying build/lib/ase/test/calculator/lammpsrun/test_no_data_file_wrap.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammpsrun
-copying build/lib/ase/test/calculator/lammpsrun/test_NaCl_minimize.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammpsrun
-copying build/lib/ase/test/calculator/lammpsrun/test_lammps_units.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammpsrun
-copying build/lib/ase/test/calculator/lammpsrun/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammpsrun
-copying build/lib/ase/test/calculator/lammpsrun/test_Pt_md_constraints_multistep.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammpsrun
-copying build/lib/ase/test/calculator/lammpsrun/test_Ar_minimize.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammpsrun
+copying build/lib/ase/test/calculator/vasp/test_version.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/vasp
+creating build/bdist.linux-x86_64/wheel/ase/test/calculator/gromacs
+copying build/lib/ase/test/calculator/gromacs/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/gromacs
+copying build/lib/ase/test/calculator/gromacs/test_gromacs.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/gromacs
+copying build/lib/ase/test/calculator/test_eam.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
+copying build/lib/ase/test/calculator/test_dftd3.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
+copying build/lib/ase/test/calculator/test_orca_qmmm.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
+copying build/lib/ase/test/calculator/test_traj.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
+copying build/lib/ase/test/calculator/test_bond_polarizability.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
+creating build/bdist.linux-x86_64/wheel/ase/test/calculator/amber
+copying build/lib/ase/test/calculator/amber/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/amber
+copying build/lib/ase/test/calculator/amber/test_amber.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/amber
+creating build/bdist.linux-x86_64/wheel/ase/test/calculator/abinit
+copying build/lib/ase/test/calculator/abinit/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/abinit
+copying build/lib/ase/test/calculator/abinit/test_main.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/abinit
+copying build/lib/ase/test/calculator/abinit/test_abinit_cmdline.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/abinit
+copying build/lib/ase/test/calculator/test_harmonic.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
+copying build/lib/ase/test/calculator/test_h2morse.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
+copying build/lib/ase/test/calculator/test_orca.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
+creating build/bdist.linux-x86_64/wheel/ase/test/calculator/turbomole
+copying build/lib/ase/test/calculator/turbomole/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/turbomole
+copying build/lib/ase/test/calculator/turbomole/test_turbomole_2h2o.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/turbomole
+copying build/lib/ase/test/calculator/turbomole/test_turbomole_parameters.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/turbomole
+copying build/lib/ase/test/calculator/turbomole/test_turbomole_calculator.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/turbomole
+copying build/lib/ase/test/calculator/turbomole/test_turbomole_H2.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/turbomole
+copying build/lib/ase/test/calculator/turbomole/test_turbomole_reader.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/turbomole
+copying build/lib/ase/test/calculator/turbomole/test_turbomole_au13.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/turbomole
+copying build/lib/ase/test/calculator/turbomole/test_turbomole_h3o2m.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/turbomole
+copying build/lib/ase/test/calculator/turbomole/test_turbomole_optimizer.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/turbomole
+copying build/lib/ase/test/calculator/turbomole/test_turbomole_qmmm.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/turbomole
+copying build/lib/ase/test/calculator/turbomole/test_turbomole_statpt.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/turbomole
+copying build/lib/ase/test/calculator/turbomole/test_turbomole_h2o.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/turbomole
+copying build/lib/ase/test/calculator/test_calculator.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
 creating build/bdist.linux-x86_64/wheel/ase/test/calculator/siesta
-copying build/lib/ase/test/calculator/siesta/test_fdf_io.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta
-copying build/lib/ase/test/calculator/siesta/test_siesta_version.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta
-creating build/bdist.linux-x86_64/wheel/ase/test/calculator/siesta/lrtddft
-copying build/lib/ase/test/calculator/siesta/lrtddft/test_siesta_lrtddft.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta/lrtddft
-copying build/lib/ase/test/calculator/siesta/lrtddft/test_siesta_raman.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta/lrtddft
-copying build/lib/ase/test/calculator/siesta/lrtddft/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta/lrtddft
+copying build/lib/ase/test/calculator/siesta/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta
+copying build/lib/ase/test/calculator/siesta/test_write_input.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta
+copying build/lib/ase/test/calculator/siesta/test_siesta_read_eigenvalues.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta
 creating build/bdist.linux-x86_64/wheel/ase/test/calculator/siesta/test_scripts
-creating build/bdist.linux-x86_64/wheel/ase/test/calculator/siesta/test_scripts/Si
-copying build/lib/ase/test/calculator/siesta/test_scripts/Si/script.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta/test_scripts/Si
-copying build/lib/ase/test/calculator/siesta/test_scripts/Si/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta/test_scripts/Si
+copying build/lib/ase/test/calculator/siesta/test_scripts/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta/test_scripts
 creating build/bdist.linux-x86_64/wheel/ase/test/calculator/siesta/test_scripts/CH4
-copying build/lib/ase/test/calculator/siesta/test_scripts/CH4/script.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta/test_scripts/CH4
 copying build/lib/ase/test/calculator/siesta/test_scripts/CH4/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta/test_scripts/CH4
-creating build/bdist.linux-x86_64/wheel/ase/test/calculator/siesta/test_scripts/Na8
-copying build/lib/ase/test/calculator/siesta/test_scripts/Na8/script.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta/test_scripts/Na8
-copying build/lib/ase/test/calculator/siesta/test_scripts/Na8/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta/test_scripts/Na8
-copying build/lib/ase/test/calculator/siesta/test_scripts/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta/test_scripts
+copying build/lib/ase/test/calculator/siesta/test_scripts/CH4/script.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta/test_scripts/CH4
+creating build/bdist.linux-x86_64/wheel/ase/test/calculator/siesta/test_scripts/Si
+copying build/lib/ase/test/calculator/siesta/test_scripts/Si/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta/test_scripts/Si
+copying build/lib/ase/test/calculator/siesta/test_scripts/Si/script.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta/test_scripts/Si
 creating build/bdist.linux-x86_64/wheel/ase/test/calculator/siesta/test_scripts/H2
-copying build/lib/ase/test/calculator/siesta/test_scripts/H2/script.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta/test_scripts/H2
 copying build/lib/ase/test/calculator/siesta/test_scripts/H2/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta/test_scripts/H2
+copying build/lib/ase/test/calculator/siesta/test_scripts/H2/script.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta/test_scripts/H2
+creating build/bdist.linux-x86_64/wheel/ase/test/calculator/siesta/test_scripts/Na8
+copying build/lib/ase/test/calculator/siesta/test_scripts/Na8/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta/test_scripts/Na8
+copying build/lib/ase/test/calculator/siesta/test_scripts/Na8/script.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta/test_scripts/Na8
 creating build/bdist.linux-x86_64/wheel/ase/test/calculator/siesta/test_scripts/Charge
 copying build/lib/ase/test/calculator/siesta/test_scripts/Charge/script.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta/test_scripts/Charge
-copying build/lib/ase/test/calculator/siesta/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta
-copying build/lib/ase/test/calculator/siesta/test_write_input.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta
-copying build/lib/ase/test/calculator/siesta/test_bandstructure.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta
 copying build/lib/ase/test/calculator/siesta/test_siesta_zmat.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta
+creating build/bdist.linux-x86_64/wheel/ase/test/calculator/siesta/lrtddft
+copying build/lib/ase/test/calculator/siesta/lrtddft/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta/lrtddft
+copying build/lib/ase/test/calculator/siesta/lrtddft/test_siesta_lrtddft.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta/lrtddft
+copying build/lib/ase/test/calculator/siesta/lrtddft/test_siesta_raman.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta/lrtddft
+copying build/lib/ase/test/calculator/siesta/test_fdf_io.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta
 copying build/lib/ase/test/calculator/siesta/test_dos.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta
-copying build/lib/ase/test/calculator/siesta/test_siesta_read_eigenvalues.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta
-creating build/bdist.linux-x86_64/wheel/ase/test/calculator/aims
-copying build/lib/ase/test/calculator/aims/test_version.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/aims
-copying build/lib/ase/test/calculator/aims/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/aims
-copying build/lib/ase/test/calculator/aims/test_H2O_aims.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/aims
-copying build/lib/ase/test/calculator/aims/test_aims_interface.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/aims
-creating build/bdist.linux-x86_64/wheel/ase/test/calculator/dftb
-copying build/lib/ase/test/calculator/dftb/test_dipole.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/dftb
-copying build/lib/ase/test/calculator/dftb/test_dftb_bandstructure.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/dftb
-copying build/lib/ase/test/calculator/dftb/test_dftb_relax_bulk.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/dftb
-copying build/lib/ase/test/calculator/dftb/test_xtb_static.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/dftb
-copying build/lib/ase/test/calculator/dftb/test_dftb_relax_surface.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/dftb
-copying build/lib/ase/test/calculator/dftb/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/dftb
-copying build/lib/ase/test/calculator/dftb/test_dftb_relax_dimer.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/dftb
-copying build/lib/ase/test/calculator/test_command.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
-copying build/lib/ase/test/calculator/test_h2.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
-creating build/bdist.linux-x86_64/wheel/ase/test/calculator/psi4
-copying build/lib/ase/test/calculator/psi4/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/psi4
-copying build/lib/ase/test/calculator/psi4/test_psi4_HF_3_21G.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/psi4
+copying build/lib/ase/test/calculator/siesta/test_bandstructure.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta
+copying build/lib/ase/test/calculator/siesta/test_siesta_version.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/siesta
+copying build/lib/ase/test/calculator/test_gulp_opt.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
+creating build/bdist.linux-x86_64/wheel/ase/test/calculator/lammpsrun
+copying build/lib/ase/test/calculator/lammpsrun/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammpsrun
+copying build/lib/ase/test/calculator/lammpsrun/test_lammps_units.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammpsrun
+copying build/lib/ase/test/calculator/lammpsrun/test_no_data_file_wrap.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammpsrun
+copying build/lib/ase/test/calculator/lammpsrun/test_Ar_minimize.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammpsrun
+copying build/lib/ase/test/calculator/lammpsrun/test_Pt_md_constraints_multistep.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammpsrun
+copying build/lib/ase/test/calculator/lammpsrun/test_Pt_stress_cellopt.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammpsrun
+copying build/lib/ase/test/calculator/lammpsrun/test_NaCl_minimize.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammpsrun
+creating build/bdist.linux-x86_64/wheel/ase/test/calculator/crystal
+copying build/lib/ase/test/calculator/crystal/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/crystal
+copying build/lib/ase/test/calculator/crystal/test_graphene.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/crystal
+copying build/lib/ase/test/calculator/crystal/test_molecule.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/crystal
+copying build/lib/ase/test/calculator/crystal/test_bulk.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/crystal
+copying build/lib/ase/test/calculator/test_ch4_energy.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
+creating build/bdist.linux-x86_64/wheel/ase/test/calculator/qchem
+copying build/lib/ase/test/calculator/qchem/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/qchem
+copying build/lib/ase/test/calculator/qchem/test_qchem_calculator.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/qchem
+copying build/lib/ase/test/calculator/test_mopac_version.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
+creating build/bdist.linux-x86_64/wheel/ase/test/calculator/demonnano
+copying build/lib/ase/test/calculator/demonnano/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/demonnano
+copying build/lib/ase/test/calculator/demonnano/test_h2o.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/demonnano
+creating build/bdist.linux-x86_64/wheel/ase/test/calculator/demon
+copying build/lib/ase/test/calculator/demon/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/demon
+copying build/lib/ase/test/calculator/demon/test_h2o_xas_xes.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/demon
+copying build/lib/ase/test/calculator/demon/test_h2o.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/demon
 creating build/bdist.linux-x86_64/wheel/ase/test/calculator/exciting
-copying build/lib/ase/test/calculator/exciting/test_exciting.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/exciting
-copying build/lib/ase/test/calculator/exciting/test_runner.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/exciting
 copying build/lib/ase/test/calculator/exciting/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/exciting
 copying build/lib/ase/test/calculator/exciting/conftest.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/exciting
-copying build/lib/ase/test/calculator/test_ts09.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
-copying build/lib/ase/test/calculator/test_h2_bond_force.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
-creating build/bdist.linux-x86_64/wheel/ase/test/calculator/elk
-copying build/lib/ase/test/calculator/elk/test_elk.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/elk
-copying build/lib/ase/test/calculator/elk/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/elk
-creating build/bdist.linux-x86_64/wheel/ase/test/calculator/lammps
-copying build/lib/ase/test/calculator/lammps/test_prism.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammps
-copying build/lib/ase/test/calculator/lammps/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammps
+copying build/lib/ase/test/calculator/exciting/test_exciting.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/exciting
+copying build/lib/ase/test/calculator/exciting/test_runner.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/exciting
 copying build/lib/ase/test/calculator/test_subprocess_calculator.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
-creating build/bdist.linux-x86_64/wheel/ase/test/calculator/turbomole
-copying build/lib/ase/test/calculator/turbomole/test_turbomole_h3o2m.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/turbomole
-copying build/lib/ase/test/calculator/turbomole/test_turbomole_au13.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/turbomole
-copying build/lib/ase/test/calculator/turbomole/test_turbomole_statpt.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/turbomole
-copying build/lib/ase/test/calculator/turbomole/test_turbomole_parameters.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/turbomole
-copying build/lib/ase/test/calculator/turbomole/test_turbomole_qmmm.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/turbomole
-copying build/lib/ase/test/calculator/turbomole/test_turbomole_H2.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/turbomole
-copying build/lib/ase/test/calculator/turbomole/test_turbomole_reader.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/turbomole
-copying build/lib/ase/test/calculator/turbomole/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/turbomole
-copying build/lib/ase/test/calculator/turbomole/test_turbomole_2h2o.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/turbomole
-copying build/lib/ase/test/calculator/turbomole/test_turbomole_h2o.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/turbomole
-copying build/lib/ase/test/calculator/turbomole/test_turbomole_calculator.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/turbomole
-copying build/lib/ase/test/calculator/turbomole/test_turbomole_optimizer.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/turbomole
-creating build/bdist.linux-x86_64/wheel/ase/test/calculator/castep
-copying build/lib/ase/test/calculator/castep/test_castep_interface.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/castep
-copying build/lib/ase/test/calculator/castep/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/castep
-copying build/lib/ase/test/calculator/test_gulp_opt.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
-copying build/lib/ase/test/calculator/test_mopac_version.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
-creating build/bdist.linux-x86_64/wheel/ase/test/calculator/abinit
-copying build/lib/ase/test/calculator/abinit/test_main.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/abinit
-copying build/lib/ase/test/calculator/abinit/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/abinit
-copying build/lib/ase/test/calculator/abinit/test_abinit_cmdline.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/abinit
-copying build/lib/ase/test/calculator/test_mopac.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
-creating build/bdist.linux-x86_64/wheel/ase/test/calculator/gpaw_
-copying build/lib/ase/test/calculator/gpaw_/test_no_spin_and_spin.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/gpaw_
-copying build/lib/ase/test/calculator/gpaw_/test_read_text_output.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/gpaw_
-copying build/lib/ase/test/calculator/gpaw_/test_wannier.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/gpaw_
-copying build/lib/ase/test/calculator/gpaw_/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/gpaw_
-creating build/bdist.linux-x86_64/wheel/ase/test/calculator/qchem
-copying build/lib/ase/test/calculator/qchem/test_qchem_calculator.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/qchem
-copying build/lib/ase/test/calculator/qchem/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/qchem
-creating build/bdist.linux-x86_64/wheel/ase/test/calculator/gromacs
-copying build/lib/ase/test/calculator/gromacs/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/gromacs
-copying build/lib/ase/test/calculator/gromacs/test_gromacs.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/gromacs
-creating build/bdist.linux-x86_64/wheel/ase/test/calculator/nwchem
-copying build/lib/ase/test/calculator/nwchem/test_nwchem_bands.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/nwchem
-copying build/lib/ase/test/calculator/nwchem/test_nwchem_spin_symmetry.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/nwchem
-copying build/lib/ase/test/calculator/nwchem/test_nwchem_stress.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/nwchem
-copying build/lib/ase/test/calculator/nwchem/test_nwchem_eigenvalues.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/nwchem
-copying build/lib/ase/test/calculator/nwchem/test_nwchem_multitask.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/nwchem
-copying build/lib/ase/test/calculator/nwchem/test_nwchem_runmany.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/nwchem
-copying build/lib/ase/test/calculator/nwchem/test_nwchem_h3o2m.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/nwchem
-copying build/lib/ase/test/calculator/nwchem/test_nwchem_cmdline.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/nwchem
-copying build/lib/ase/test/calculator/nwchem/test_nwchem_version.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/nwchem
-copying build/lib/ase/test/calculator/nwchem/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/nwchem
-copying build/lib/ase/test/calculator/nwchem/test_nwchem_parser.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/nwchem
-copying build/lib/ase/test/calculator/nwchem/test_nwchem_broken_symmetry.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/nwchem
-copying build/lib/ase/test/calculator/test_fd.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
-creating build/bdist.linux-x86_64/wheel/ase/test/calculator/onetep
-copying build/lib/ase/test/calculator/onetep/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/onetep
-copying build/lib/ase/test/calculator/onetep/test_onetep.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/onetep
-creating build/bdist.linux-x86_64/wheel/ase/test/calculator/openmx
-copying build/lib/ase/test/calculator/openmx/test_version.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/openmx
-copying build/lib/ase/test/calculator/openmx/test_md.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/openmx
-copying build/lib/ase/test/calculator/openmx/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/openmx
-creating build/bdist.linux-x86_64/wheel/ase/test/calculator/ace
-copying build/lib/ase/test/calculator/ace/test_ace.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/ace
-copying build/lib/ase/test/calculator/ace/test_ace_calculator.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/ace
-copying build/lib/ase/test/calculator/ace/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/ace
-creating build/bdist.linux-x86_64/wheel/ase/test/calculator/plumed
-copying build/lib/ase/test/calculator/plumed/test_plumed.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/plumed
-copying build/lib/ase/test/calculator/plumed/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/plumed
+copying build/lib/ase/test/calculator/test_lj.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
 copying build/lib/ase/test/calculator/test_si_stress.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
-creating build/bdist.linux-x86_64/wheel/ase/test/calculator/socketio
-copying build/lib/ase/test/calculator/socketio/test_ipi_protocol_bfgs.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/socketio
-copying build/lib/ase/test/calculator/socketio/test_socket_io_mpi_line.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/socketio
-copying build/lib/ase/test/calculator/socketio/test_python_interface.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/socketio
-copying build/lib/ase/test/calculator/socketio/test_h2_stiffness.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/socketio
-copying build/lib/ase/test/calculator/socketio/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/socketio
-copying build/lib/ase/test/calculator/socketio/test_integration.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/socketio
-copying build/lib/ase/test/calculator/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
-copying build/lib/ase/test/calculator/test_al.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
-copying build/lib/ase/test/calculator/test_eam_run.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
-copying build/lib/ase/test/calculator/test_calculator.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
-copying build/lib/ase/test/calculator/test_orca.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
-creating build/bdist.linux-x86_64/wheel/ase/test/calculator/lammpslib
-copying build/lib/ase/test/calculator/lammpslib/test_Pt_stress_cellopt.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammpslib
-copying build/lib/ase/test/calculator/lammpslib/test_lammpslib_post_changebox_cmds.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammpslib
-copying build/lib/ase/test/calculator/lammpslib/test_lammpslib_change_cell_bcs.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammpslib
-copying build/lib/ase/test/calculator/lammpslib/test_lammpslib_small_nonperiodic.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammpslib
-copying build/lib/ase/test/calculator/lammpslib/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammpslib
-copying build/lib/ase/test/calculator/lammpslib/test_lammpslib_neighlist_bug.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammpslib
-copying build/lib/ase/test/calculator/lammpslib/conftest.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammpslib
-copying build/lib/ase/test/calculator/lammpslib/test_lammpslib_simple.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/lammpslib
-copying build/lib/ase/test/calculator/test_h2morse.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
-copying build/lib/ase/test/calculator/test_harmonic.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
-copying build/lib/ase/test/calculator/test_ch4_energy.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
-copying build/lib/ase/test/calculator/test_gulp.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
-copying build/lib/ase/test/calculator/conftest.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
-copying build/lib/ase/test/calculator/test_bond_polarizability.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
-copying build/lib/ase/test/calculator/test_morse.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
-copying build/lib/ase/test/calculator/test_eam.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
 creating build/bdist.linux-x86_64/wheel/ase/test/calculator/espresso
-copying build/lib/ase/test/calculator/espresso/test_espresso.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/espresso
 copying build/lib/ase/test/calculator/espresso/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/espresso
-creating build/bdist.linux-x86_64/wheel/ase/test/calculator/demonnano
-copying build/lib/ase/test/calculator/demonnano/test_h2o.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/demonnano
-copying build/lib/ase/test/calculator/demonnano/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/demonnano
-creating build/bdist.linux-x86_64/wheel/ase/test/calculator/gaussian
-copying build/lib/ase/test/calculator/gaussian/test_water.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/gaussian
-copying build/lib/ase/test/calculator/gaussian/test_h2of.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/gaussian
-copying build/lib/ase/test/calculator/gaussian/test_optimizer_irc.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/gaussian
-copying build/lib/ase/test/calculator/gaussian/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator/gaussian
-copying build/lib/ase/test/calculator/test_dftd3.py -> build/bdist.linux-x86_64/wheel/./ase/test/calculator
-copying build/lib/ase/test/test_makebandpath.py -> build/bdist.linux-x86_64/wheel/./ase/test
-creating build/bdist.linux-x86_64/wheel/ase/test/vibrations
-copying build/lib/ase/test/vibrations/test_combine.py -> build/bdist.linux-x86_64/wheel/./ase/test/vibrations
-copying build/lib/ase/test/vibrations/test_profeta_albrecht.py -> build/bdist.linux-x86_64/wheel/./ase/test/vibrations
-copying build/lib/ase/test/vibrations/test_franck_condon.py -> build/bdist.linux-x86_64/wheel/./ase/test/vibrations
-copying build/lib/ase/test/vibrations/test_vibrations_example.py -> build/bdist.linux-x86_64/wheel/./ase/test/vibrations
-copying build/lib/ase/test/vibrations/test_pickle2json.py -> build/bdist.linux-x86_64/wheel/./ase/test/vibrations
-copying build/lib/ase/test/vibrations/test_vib.py -> build/bdist.linux-x86_64/wheel/./ase/test/vibrations
-copying build/lib/ase/test/vibrations/test_placzek.py -> build/bdist.linux-x86_64/wheel/./ase/test/vibrations
-copying build/lib/ase/test/vibrations/test_albrecht.py -> build/bdist.linux-x86_64/wheel/./ase/test/vibrations
-copying build/lib/ase/test/vibrations/test_folding.py -> build/bdist.linux-x86_64/wheel/./ase/test/vibrations
-copying build/lib/ase/test/vibrations/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/vibrations
-copying build/lib/ase/test/vibrations/test_bond_polarizability_raman.py -> build/bdist.linux-x86_64/wheel/./ase/test/vibrations
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-copying build/lib/ase/test/test_symbols.py -> build/bdist.linux-x86_64/wheel/./ase/test
-creating build/bdist.linux-x86_64/wheel/ase/test/standardization
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-copying build/lib/ase/test/standardization/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/standardization
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-copying build/lib/ase/test/constraints/test_fixbondlength_CO2_Au111.py -> build/bdist.linux-x86_64/wheel/./ase/test/constraints
-copying build/lib/ase/test/constraints/test_repeat_FixAtoms.py -> build/bdist.linux-x86_64/wheel/./ase/test/constraints
-copying build/lib/ase/test/constraints/test_fixbonds.py -> build/bdist.linux-x86_64/wheel/./ase/test/constraints
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-copying build/lib/ase/test/test_bandpath_kpts_axis.py -> build/bdist.linux-x86_64/wheel/./ase/test
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+creating build/bdist.linux-x86_64/wheel/ase/test/atoms
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+copying build/lib/ase/test/atoms/test_center_nonperiodic.py -> build/bdist.linux-x86_64/wheel/./ase/test/atoms
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 creating build/bdist.linux-x86_64/wheel/ase/test/ga
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-copying build/lib/ase/test/ga/test_bulk_operators.py -> build/bdist.linux-x86_64/wheel/./ase/test/ga
+copying build/lib/ase/test/ga/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/ga
 copying build/lib/ase/test/ga/test_slab_operators.py -> build/bdist.linux-x86_64/wheel/./ase/test/ga
+copying build/lib/ase/test/ga/test_standardcomparator.py -> build/bdist.linux-x86_64/wheel/./ase/test/ga
+copying build/lib/ase/test/ga/test_element_operators.py -> build/bdist.linux-x86_64/wheel/./ase/test/ga
 copying build/lib/ase/test/ga/test_chain_operators.py -> build/bdist.linux-x86_64/wheel/./ase/test/ga
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+copying build/lib/ase/test/ga/test_bulk_operators.py -> build/bdist.linux-x86_64/wheel/./ase/test/ga
 copying build/lib/ase/test/ga/test_basic_example_main_run.py -> build/bdist.linux-x86_64/wheel/./ase/test/ga
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-copying build/lib/ase/test/ga/test_particle_mutations.py -> build/bdist.linux-x86_64/wheel/./ase/test/ga
+copying build/lib/ase/test/ga/test_cutandsplicepairing.py -> build/bdist.linux-x86_64/wheel/./ase/test/ga
+copying build/lib/ase/test/ga/test_particle_comparators.py -> build/bdist.linux-x86_64/wheel/./ase/test/ga
 copying build/lib/ase/test/ga/test_particle_operators.py -> build/bdist.linux-x86_64/wheel/./ase/test/ga
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-copying build/lib/ase/test/ga/test_element_operators.py -> build/bdist.linux-x86_64/wheel/./ase/test/ga
+copying build/lib/ase/test/ga/test_particle_mutations.py -> build/bdist.linux-x86_64/wheel/./ase/test/ga
+copying build/lib/ase/test/ga/test_film_operators.py -> build/bdist.linux-x86_64/wheel/./ase/test/ga
 copying build/lib/ase/test/ga/test_database_logic.py -> build/bdist.linux-x86_64/wheel/./ase/test/ga
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-copying build/lib/ase/io/abinit.py -> build/bdist.linux-x86_64/wheel/./ase/io
-copying build/lib/ase/io/elk.py -> build/bdist.linux-x86_64/wheel/./ase/io
-copying build/lib/ase/io/vasp.py -> build/bdist.linux-x86_64/wheel/./ase/io
-creating build/bdist.linux-x86_64/wheel/ase/io/espresso_namelist
-copying build/lib/ase/io/espresso_namelist/namelist.py -> build/bdist.linux-x86_64/wheel/./ase/io/espresso_namelist
-copying build/lib/ase/io/espresso_namelist/keys.py -> build/bdist.linux-x86_64/wheel/./ase/io/espresso_namelist
-copying build/lib/ase/io/espresso_namelist/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/io/espresso_namelist
-copying build/lib/ase/io/bader.py -> build/bdist.linux-x86_64/wheel/./ase/io
-copying build/lib/ase/io/eon.py -> build/bdist.linux-x86_64/wheel/./ase/io
+copying build/lib/ase/test/ga/test_mutations.py -> build/bdist.linux-x86_64/wheel/./ase/test/ga
+copying build/lib/ase/test/ga/test_create_database.py -> build/bdist.linux-x86_64/wheel/./ase/test/ga
+copying build/lib/ase/test/ga/test_add_candidates.py -> build/bdist.linux-x86_64/wheel/./ase/test/ga
+copying build/lib/ase/test/test_mpi.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_filecache.py -> build/bdist.linux-x86_64/wheel/./ase/test
+creating build/bdist.linux-x86_64/wheel/ase/test/standardization
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+copying build/lib/ase/test/standardization/test_properties.py -> build/bdist.linux-x86_64/wheel/./ase/test/standardization
+copying build/lib/ase/test/test_parsemath.py -> build/bdist.linux-x86_64/wheel/./ase/test
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+creating build/bdist.linux-x86_64/wheel/ase/test/db
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+copying build/lib/ase/test/db/test_cli.py -> build/bdist.linux-x86_64/wheel/./ase/test/db
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+copying build/lib/ase/test/db/test_sql_db_ext_tables.py -> build/bdist.linux-x86_64/wheel/./ase/test/db
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+copying build/lib/ase/test/db/test_table.py -> build/bdist.linux-x86_64/wheel/./ase/test/db
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+creating build/bdist.linux-x86_64/wheel/ase/test/bravais
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+copying build/lib/ase/test/bravais/test_line_lattice.py -> build/bdist.linux-x86_64/wheel/./ase/test/bravais
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+copying build/lib/ase/test/bravais/test_hex.py -> build/bdist.linux-x86_64/wheel/./ase/test/bravais
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+copying build/lib/ase/test/bravais/test_lattices.py -> build/bdist.linux-x86_64/wheel/./ase/test/bravais
+copying build/lib/ase/test/bravais/test_bravais_type_engine.py -> build/bdist.linux-x86_64/wheel/./ase/test/bravais
+copying build/lib/ase/test/bravais/test_2d_cell_pbc.py -> build/bdist.linux-x86_64/wheel/./ase/test/bravais
+copying build/lib/ase/test/bravais/test_eps.py -> build/bdist.linux-x86_64/wheel/./ase/test/bravais
+copying build/lib/ase/test/bravais/test_orcc_mcl.py -> build/bdist.linux-x86_64/wheel/./ase/test/bravais
+copying build/lib/ase/test/bravais/test_standard_form.py -> build/bdist.linux-x86_64/wheel/./ase/test/bravais
+copying build/lib/ase/test/test_grid_slice.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_external_viewer.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_checkpoint.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_kpts.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_lock.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_pathlib_support.py -> build/bdist.linux-x86_64/wheel/./ase/test
+creating build/bdist.linux-x86_64/wheel/ase/test/cell
+copying build/lib/ase/test/cell/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/test/cell
+copying build/lib/ase/test/cell/test_niggli_ndim.py -> build/bdist.linux-x86_64/wheel/./ase/test/cell
+copying build/lib/ase/test/cell/test_cell_uncompletion.py -> build/bdist.linux-x86_64/wheel/./ase/test/cell
+copying build/lib/ase/test/cell/test_cell.py -> build/bdist.linux-x86_64/wheel/./ase/test/cell
+copying build/lib/ase/test/cell/test_cell_conv.py -> build/bdist.linux-x86_64/wheel/./ase/test/cell
+copying build/lib/ase/test/cell/test_niggli.py -> build/bdist.linux-x86_64/wheel/./ase/test/cell
+copying build/lib/ase/test/cell/test_minkowski_reduce.py -> build/bdist.linux-x86_64/wheel/./ase/test/cell
+copying build/lib/ase/test/cell/test_cell_completion.py -> build/bdist.linux-x86_64/wheel/./ase/test/cell
+copying build/lib/ase/test/cell/test_niggli_op.py -> build/bdist.linux-x86_64/wheel/./ase/test/cell
+copying build/lib/ase/test/cell/test_supercell.py -> build/bdist.linux-x86_64/wheel/./ase/test/cell
+copying build/lib/ase/test/cell/test_conventional_map.py -> build/bdist.linux-x86_64/wheel/./ase/test/cell
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+copying build/lib/ase/test/test_potential_energies.py -> build/bdist.linux-x86_64/wheel/./ase/test
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+creating build/bdist.linux-x86_64/wheel/ase/test/neb
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+copying build/lib/ase/test/neb/test_COCu111_2.py -> build/bdist.linux-x86_64/wheel/./ase/test/neb
+copying build/lib/ase/test/neb/test_neb_tr.py -> build/bdist.linux-x86_64/wheel/./ase/test/neb
+copying build/lib/ase/test/neb/test_COCu111.py -> build/bdist.linux-x86_64/wheel/./ase/test/neb
+copying build/lib/ase/test/neb/test_interpolate_images.py -> build/bdist.linux-x86_64/wheel/./ase/test/neb
+copying build/lib/ase/test/neb/test_autoneb.py -> build/bdist.linux-x86_64/wheel/./ase/test/neb
+copying build/lib/ase/test/neb/test_dynamic_neb.py -> build/bdist.linux-x86_64/wheel/./ase/test/neb
+copying build/lib/ase/test/neb/test_shared_calculator_neb.py -> build/bdist.linux-x86_64/wheel/./ase/test/neb
+copying build/lib/ase/test/neb/test_precon_neb.py -> build/bdist.linux-x86_64/wheel/./ase/test/neb
+creating build/bdist.linux-x86_64/wheel/ase/test/bandstructure
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+copying build/lib/ase/test/bandstructure/test_bandstructure_many.py -> build/bdist.linux-x86_64/wheel/./ase/test/bandstructure
+copying build/lib/ase/test/bandstructure/test_bandstructure_transform_mcl.py -> build/bdist.linux-x86_64/wheel/./ase/test/bandstructure
+copying build/lib/ase/test/bandstructure/test_resolve_custom_kpoints.py -> build/bdist.linux-x86_64/wheel/./ase/test/bandstructure
+copying build/lib/ase/test/bandstructure/test_bandstructure.py -> build/bdist.linux-x86_64/wheel/./ase/test/bandstructure
+copying build/lib/ase/test/bandstructure/test_bandstructure_json.py -> build/bdist.linux-x86_64/wheel/./ase/test/bandstructure
+copying build/lib/ase/test/bandstructure/test_bandpath.py -> build/bdist.linux-x86_64/wheel/./ase/test/bandstructure
+copying build/lib/ase/test/test_imports.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_quaternions.py -> build/bdist.linux-x86_64/wheel/./ase/test
+copying build/lib/ase/test/test_xrdebye.py -> build/bdist.linux-x86_64/wheel/./ase/test
+creating build/bdist.linux-x86_64/wheel/ase/test/cli
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+copying build/lib/ase/test/cli/test_run.py -> build/bdist.linux-x86_64/wheel/./ase/test/cli
+copying build/lib/ase/test/cli/test_convert.py -> build/bdist.linux-x86_64/wheel/./ase/test/cli
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+copying build/lib/ase/test/cli/test_complete.py -> build/bdist.linux-x86_64/wheel/./ase/test/cli
+copying build/lib/ase/test/cli/test_bandstructure.py -> build/bdist.linux-x86_64/wheel/./ase/test/cli
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+creating build/bdist.linux-x86_64/wheel/ase/data
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+copying build/lib/ase/data/isotopes.py -> build/bdist.linux-x86_64/wheel/./ase/data
+copying build/lib/ase/data/g2.py -> build/bdist.linux-x86_64/wheel/./ase/data
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+copying build/lib/ase/data/pubchem.py -> build/bdist.linux-x86_64/wheel/./ase/data
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+copying build/lib/ase/data/dbh24.py -> build/bdist.linux-x86_64/wheel/./ase/data
+copying build/lib/ase/data/colors.py -> build/bdist.linux-x86_64/wheel/./ase/data
+copying build/lib/ase/data/g2_1.py -> build/bdist.linux-x86_64/wheel/./ase/data
+copying build/lib/ase/data/vdw.py -> build/bdist.linux-x86_64/wheel/./ase/data
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+copying build/lib/ase/data/g2_2.py -> build/bdist.linux-x86_64/wheel/./ase/data
+copying build/lib/ase/data/extra_molecules.py -> build/bdist.linux-x86_64/wheel/./ase/data
+creating build/bdist.linux-x86_64/wheel/ase/spectrum
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+copying build/lib/ase/spectrum/doscollection.py -> build/bdist.linux-x86_64/wheel/./ase/spectrum
+copying build/lib/ase/spectrum/band_structure.py -> build/bdist.linux-x86_64/wheel/./ase/spectrum
+copying build/lib/ase/spectrum/dosdata.py -> build/bdist.linux-x86_64/wheel/./ase/spectrum
+copying build/lib/ase/stress.py -> build/bdist.linux-x86_64/wheel/./ase
+copying build/lib/ase/pourbaix.py -> build/bdist.linux-x86_64/wheel/./ase
+creating build/bdist.linux-x86_64/wheel/ase/ga
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+copying build/lib/ase/ga/startgenerator.py -> build/bdist.linux-x86_64/wheel/./ase/ga
+copying build/lib/ase/ga/bulk_mutations.py -> build/bdist.linux-x86_64/wheel/./ase/ga
+copying build/lib/ase/ga/utilities.py -> build/bdist.linux-x86_64/wheel/./ase/ga
+copying build/lib/ase/ga/bulk_crossovers.py -> build/bdist.linux-x86_64/wheel/./ase/ga
+copying build/lib/ase/ga/pbs_queue_run.py -> build/bdist.linux-x86_64/wheel/./ase/ga
+copying build/lib/ase/ga/relax_attaches.py -> build/bdist.linux-x86_64/wheel/./ase/ga
+copying build/lib/ase/ga/population.py -> build/bdist.linux-x86_64/wheel/./ase/ga
+copying build/lib/ase/ga/element_crossovers.py -> build/bdist.linux-x86_64/wheel/./ase/ga
+copying build/lib/ase/ga/particle_crossovers.py -> build/bdist.linux-x86_64/wheel/./ase/ga
+copying build/lib/ase/ga/standard_comparators.py -> build/bdist.linux-x86_64/wheel/./ase/ga
+copying build/lib/ase/ga/particle_mutations.py -> build/bdist.linux-x86_64/wheel/./ase/ga
+copying build/lib/ase/ga/bulk_utilities.py -> build/bdist.linux-x86_64/wheel/./ase/ga
+copying build/lib/ase/ga/parallellocalrun.py -> build/bdist.linux-x86_64/wheel/./ase/ga
+copying build/lib/ase/ga/cutandsplicepairing.py -> build/bdist.linux-x86_64/wheel/./ase/ga
+copying build/lib/ase/ga/slab_operators.py -> build/bdist.linux-x86_64/wheel/./ase/ga
+copying build/lib/ase/ga/element_mutations.py -> build/bdist.linux-x86_64/wheel/./ase/ga
+copying build/lib/ase/ga/soft_mutation.py -> build/bdist.linux-x86_64/wheel/./ase/ga
+copying build/lib/ase/ga/offspring_creator.py -> build/bdist.linux-x86_64/wheel/./ase/ga
+copying build/lib/ase/ga/data.py -> build/bdist.linux-x86_64/wheel/./ase/ga
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+copying build/lib/ase/ga/standardmutations.py -> build/bdist.linux-x86_64/wheel/./ase/ga
+copying build/lib/ase/ga/bulk_startgenerator.py -> build/bdist.linux-x86_64/wheel/./ase/ga
+copying build/lib/ase/constraints.py -> build/bdist.linux-x86_64/wheel/./ase
 creating build/bdist.linux-x86_64/wheel/ase/visualize
 copying build/lib/ase/visualize/mlab.py -> build/bdist.linux-x86_64/wheel/./ase/visualize
-copying build/lib/ase/visualize/x3d.py -> build/bdist.linux-x86_64/wheel/./ase/visualize
-copying build/lib/ase/visualize/paraview_script.py -> build/bdist.linux-x86_64/wheel/./ase/visualize
+copying build/lib/ase/visualize/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/visualize
 copying build/lib/ase/visualize/viewers.py -> build/bdist.linux-x86_64/wheel/./ase/visualize
+copying build/lib/ase/visualize/paraview_script.py -> build/bdist.linux-x86_64/wheel/./ase/visualize
+copying build/lib/ase/visualize/x3d.py -> build/bdist.linux-x86_64/wheel/./ase/visualize
 copying build/lib/ase/visualize/plot.py -> build/bdist.linux-x86_64/wheel/./ase/visualize
-copying build/lib/ase/visualize/ngl.py -> build/bdist.linux-x86_64/wheel/./ase/visualize
 copying build/lib/ase/visualize/sage.py -> build/bdist.linux-x86_64/wheel/./ase/visualize
-copying build/lib/ase/visualize/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/visualize
-copying build/lib/ase/codes.py -> build/bdist.linux-x86_64/wheel/./ase
-copying build/lib/ase/units.py -> build/bdist.linux-x86_64/wheel/./ase
-creating build/bdist.linux-x86_64/wheel/ase/geometry
-copying build/lib/ase/geometry/rdf.py -> build/bdist.linux-x86_64/wheel/./ase/geometry
-creating build/bdist.linux-x86_64/wheel/ase/geometry/dimensionality
-copying build/lib/ase/geometry/dimensionality/disjoint_set.py -> build/bdist.linux-x86_64/wheel/./ase/geometry/dimensionality
-copying build/lib/ase/geometry/dimensionality/topology_scaling.py -> build/bdist.linux-x86_64/wheel/./ase/geometry/dimensionality
-copying build/lib/ase/geometry/dimensionality/isolation.py -> build/bdist.linux-x86_64/wheel/./ase/geometry/dimensionality
-copying build/lib/ase/geometry/dimensionality/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/geometry/dimensionality
-copying build/lib/ase/geometry/dimensionality/interval_analysis.py -> build/bdist.linux-x86_64/wheel/./ase/geometry/dimensionality
-copying build/lib/ase/geometry/dimensionality/bond_generator.py -> build/bdist.linux-x86_64/wheel/./ase/geometry/dimensionality
-copying build/lib/ase/geometry/dimensionality/rank_determination.py -> build/bdist.linux-x86_64/wheel/./ase/geometry/dimensionality
-copying build/lib/ase/geometry/analysis.py -> build/bdist.linux-x86_64/wheel/./ase/geometry
-copying build/lib/ase/geometry/minkowski_reduction.py -> build/bdist.linux-x86_64/wheel/./ase/geometry
-copying build/lib/ase/geometry/geometry.py -> build/bdist.linux-x86_64/wheel/./ase/geometry
-copying build/lib/ase/geometry/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/geometry
-copying build/lib/ase/geometry/bravais_type_engine.py -> build/bdist.linux-x86_64/wheel/./ase/geometry
-copying build/lib/ase/geometry/distance.py -> build/bdist.linux-x86_64/wheel/./ase/geometry
-copying build/lib/ase/geometry/cell.py -> build/bdist.linux-x86_64/wheel/./ase/geometry
-copying build/lib/ase/parallel.py -> build/bdist.linux-x86_64/wheel/./ase
+copying build/lib/ase/visualize/ngl.py -> build/bdist.linux-x86_64/wheel/./ase/visualize
+copying build/lib/ase/symbols.py -> build/bdist.linux-x86_64/wheel/./ase
+copying build/lib/ase/dyneb.py -> build/bdist.linux-x86_64/wheel/./ase
 creating build/bdist.linux-x86_64/wheel/ase/db
+copying build/lib/ase/db/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/db
+copying build/lib/ase/db/postgresql.py -> build/bdist.linux-x86_64/wheel/./ase/db
+copying build/lib/ase/db/convert.py -> build/bdist.linux-x86_64/wheel/./ase/db
+copying build/lib/ase/db/mysql.py -> build/bdist.linux-x86_64/wheel/./ase/db
+copying build/lib/ase/db/cli.py -> build/bdist.linux-x86_64/wheel/./ase/db
 creating build/bdist.linux-x86_64/wheel/ase/db/static
+copying build/lib/ase/db/static/row.js -> build/bdist.linux-x86_64/wheel/./ase/db/static
 copying build/lib/ase/db/static/search.js -> build/bdist.linux-x86_64/wheel/./ase/db/static
 copying build/lib/ase/db/static/style.css -> build/bdist.linux-x86_64/wheel/./ase/db/static
-copying build/lib/ase/db/static/row.js -> build/bdist.linux-x86_64/wheel/./ase/db/static
-copying build/lib/ase/db/row.py -> build/bdist.linux-x86_64/wheel/./ase/db
-copying build/lib/ase/db/table.py -> build/bdist.linux-x86_64/wheel/./ase/db
-copying build/lib/ase/db/convert.py -> build/bdist.linux-x86_64/wheel/./ase/db
-copying build/lib/ase/db/cli.py -> build/bdist.linux-x86_64/wheel/./ase/db
-copying build/lib/ase/db/app.py -> build/bdist.linux-x86_64/wheel/./ase/db
 copying build/lib/ase/db/web.py -> build/bdist.linux-x86_64/wheel/./ase/db
-copying build/lib/ase/db/sqlite.py -> build/bdist.linux-x86_64/wheel/./ase/db
-copying build/lib/ase/db/core.py -> build/bdist.linux-x86_64/wheel/./ase/db
-copying build/lib/ase/db/mysql.py -> build/bdist.linux-x86_64/wheel/./ase/db
-copying build/lib/ase/db/project.py -> build/bdist.linux-x86_64/wheel/./ase/db
-copying build/lib/ase/db/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/db
 creating build/bdist.linux-x86_64/wheel/ase/db/templates
 copying build/lib/ase/db/templates/js.html -> build/bdist.linux-x86_64/wheel/./ase/db/templates
-copying build/lib/ase/db/templates/search.html -> build/bdist.linux-x86_64/wheel/./ase/db/templates
-copying build/lib/ase/db/templates/style.html -> build/bdist.linux-x86_64/wheel/./ase/db/templates
 copying build/lib/ase/db/templates/table.html -> build/bdist.linux-x86_64/wheel/./ase/db/templates
 copying build/lib/ase/db/templates/row.html -> build/bdist.linux-x86_64/wheel/./ase/db/templates
+copying build/lib/ase/db/templates/style.html -> build/bdist.linux-x86_64/wheel/./ase/db/templates
 copying build/lib/ase/db/templates/layout.html -> build/bdist.linux-x86_64/wheel/./ase/db/templates
+copying build/lib/ase/db/templates/search.html -> build/bdist.linux-x86_64/wheel/./ase/db/templates
+copying build/lib/ase/db/sqlite.py -> build/bdist.linux-x86_64/wheel/./ase/db
+copying build/lib/ase/db/table.py -> build/bdist.linux-x86_64/wheel/./ase/db
+copying build/lib/ase/db/core.py -> build/bdist.linux-x86_64/wheel/./ase/db
+copying build/lib/ase/db/row.py -> build/bdist.linux-x86_64/wheel/./ase/db
 copying build/lib/ase/db/jsondb.py -> build/bdist.linux-x86_64/wheel/./ase/db
-copying build/lib/ase/db/postgresql.py -> build/bdist.linux-x86_64/wheel/./ase/db
+copying build/lib/ase/db/app.py -> build/bdist.linux-x86_64/wheel/./ase/db
+copying build/lib/ase/db/project.py -> build/bdist.linux-x86_64/wheel/./ase/db
+copying build/lib/ase/atoms.py -> build/bdist.linux-x86_64/wheel/./ase
+copying build/lib/ase/units.py -> build/bdist.linux-x86_64/wheel/./ase
 copying build/lib/ase/eos.py -> build/bdist.linux-x86_64/wheel/./ase
-copying build/lib/ase/constraints.py -> build/bdist.linux-x86_64/wheel/./ase
-copying build/lib/ase/py.typed -> build/bdist.linux-x86_64/wheel/./ase
-copying build/lib/ase/phasediagram.py -> build/bdist.linux-x86_64/wheel/./ase
+copying build/lib/ase/filters.py -> build/bdist.linux-x86_64/wheel/./ase
+copying build/lib/ase/nomad.py -> build/bdist.linux-x86_64/wheel/./ase
+copying build/lib/ase/thermochemistry.py -> build/bdist.linux-x86_64/wheel/./ase
+copying build/lib/ase/cell.py -> build/bdist.linux-x86_64/wheel/./ase
+copying build/lib/ase/atom.py -> build/bdist.linux-x86_64/wheel/./ase
+creating build/bdist.linux-x86_64/wheel/ase/utils
+copying build/lib/ase/utils/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/utils
+copying build/lib/ase/utils/structure_comparator.py -> build/bdist.linux-x86_64/wheel/./ase/utils
+copying build/lib/ase/utils/parsemath.py -> build/bdist.linux-x86_64/wheel/./ase/utils
+copying build/lib/ase/utils/ptable.py -> build/bdist.linux-x86_64/wheel/./ase/utils
+copying build/lib/ase/utils/xrdebye.py -> build/bdist.linux-x86_64/wheel/./ase/utils
+copying build/lib/ase/utils/cext.py -> build/bdist.linux-x86_64/wheel/./ase/utils
+copying build/lib/ase/utils/timing.py -> build/bdist.linux-x86_64/wheel/./ase/utils
+copying build/lib/ase/utils/filecache.py -> build/bdist.linux-x86_64/wheel/./ase/utils
+copying build/lib/ase/utils/build_web_page.py -> build/bdist.linux-x86_64/wheel/./ase/utils
+copying build/lib/ase/utils/newrelease.py -> build/bdist.linux-x86_64/wheel/./ase/utils
+copying build/lib/ase/utils/arraywrapper.py -> build/bdist.linux-x86_64/wheel/./ase/utils
+copying build/lib/ase/utils/forcecurve.py -> build/bdist.linux-x86_64/wheel/./ase/utils
+copying build/lib/ase/utils/linesearch.py -> build/bdist.linux-x86_64/wheel/./ase/utils
+copying build/lib/ase/utils/linesearcharmijo.py -> build/bdist.linux-x86_64/wheel/./ase/utils
+copying build/lib/ase/utils/checkimports.py -> build/bdist.linux-x86_64/wheel/./ase/utils
+copying build/lib/ase/utils/cube.py -> build/bdist.linux-x86_64/wheel/./ase/utils
+copying build/lib/ase/utils/plugins.py -> build/bdist.linux-x86_64/wheel/./ase/utils
+copying build/lib/ase/utils/abc.py -> build/bdist.linux-x86_64/wheel/./ase/utils
+copying build/lib/ase/utils/ff.py -> build/bdist.linux-x86_64/wheel/./ase/utils
+copying build/lib/ase/utils/plotting.py -> build/bdist.linux-x86_64/wheel/./ase/utils
+copying build/lib/ase/utils/deltacodesdft.py -> build/bdist.linux-x86_64/wheel/./ase/utils
+copying build/lib/ase/utils/sphinx.py -> build/bdist.linux-x86_64/wheel/./ase/utils
 creating build/bdist.linux-x86_64/wheel/ase/cli
-copying build/lib/ase/cli/exec.py -> build/bdist.linux-x86_64/wheel/./ase/cli
-copying build/lib/ase/cli/template.py -> build/bdist.linux-x86_64/wheel/./ase/cli
+copying build/lib/ase/cli/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/cli
+copying build/lib/ase/cli/ulm.py -> build/bdist.linux-x86_64/wheel/./ase/cli
 copying build/lib/ase/cli/dimensionality.py -> build/bdist.linux-x86_64/wheel/./ase/cli
-copying build/lib/ase/cli/main.py -> build/bdist.linux-x86_64/wheel/./ase/cli
 copying build/lib/ase/cli/convert.py -> build/bdist.linux-x86_64/wheel/./ase/cli
+copying build/lib/ase/cli/band_structure.py -> build/bdist.linux-x86_64/wheel/./ase/cli
+copying build/lib/ase/cli/reciprocal.py -> build/bdist.linux-x86_64/wheel/./ase/cli
+copying build/lib/ase/cli/complete.py -> build/bdist.linux-x86_64/wheel/./ase/cli
+copying build/lib/ase/cli/db.py -> build/bdist.linux-x86_64/wheel/./ase/cli
+copying build/lib/ase/cli/build.py -> build/bdist.linux-x86_64/wheel/./ase/cli
+copying build/lib/ase/cli/main.py -> build/bdist.linux-x86_64/wheel/./ase/cli
+copying build/lib/ase/cli/nomadget.py -> build/bdist.linux-x86_64/wheel/./ase/cli
 copying build/lib/ase/cli/info.py -> build/bdist.linux-x86_64/wheel/./ase/cli
-copying build/lib/ase/cli/find.py -> build/bdist.linux-x86_64/wheel/./ase/cli
 copying build/lib/ase/cli/diff.py -> build/bdist.linux-x86_64/wheel/./ase/cli
 copying build/lib/ase/cli/completion.py -> build/bdist.linux-x86_64/wheel/./ase/cli
-copying build/lib/ase/cli/nebplot.py -> build/bdist.linux-x86_64/wheel/./ase/cli
-copying build/lib/ase/cli/complete.py -> build/bdist.linux-x86_64/wheel/./ase/cli
-copying build/lib/ase/cli/db.py -> build/bdist.linux-x86_64/wheel/./ase/cli
+copying build/lib/ase/cli/template.py -> build/bdist.linux-x86_64/wheel/./ase/cli
 copying build/lib/ase/cli/run.py -> build/bdist.linux-x86_64/wheel/./ase/cli
+copying build/lib/ase/cli/nebplot.py -> build/bdist.linux-x86_64/wheel/./ase/cli
 copying build/lib/ase/cli/nomad.py -> build/bdist.linux-x86_64/wheel/./ase/cli
-copying build/lib/ase/cli/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/cli
-copying build/lib/ase/cli/build.py -> build/bdist.linux-x86_64/wheel/./ase/cli
-copying build/lib/ase/cli/reciprocal.py -> build/bdist.linux-x86_64/wheel/./ase/cli
-copying build/lib/ase/cli/ulm.py -> build/bdist.linux-x86_64/wheel/./ase/cli
-copying build/lib/ase/cli/band_structure.py -> build/bdist.linux-x86_64/wheel/./ase/cli
-copying build/lib/ase/cli/nomadget.py -> build/bdist.linux-x86_64/wheel/./ase/cli
-copying build/lib/ase/autoneb.py -> build/bdist.linux-x86_64/wheel/./ase
-creating build/bdist.linux-x86_64/wheel/ase/cluster
-copying build/lib/ase/cluster/base.py -> build/bdist.linux-x86_64/wheel/./ase/cluster
-copying build/lib/ase/cluster/icosahedron.py -> build/bdist.linux-x86_64/wheel/./ase/cluster
-copying build/lib/ase/cluster/compounds.py -> build/bdist.linux-x86_64/wheel/./ase/cluster
-copying build/lib/ase/cluster/hexagonal.py -> build/bdist.linux-x86_64/wheel/./ase/cluster
-copying build/lib/ase/cluster/factory.py -> build/bdist.linux-x86_64/wheel/./ase/cluster
-copying build/lib/ase/cluster/octahedron.py -> build/bdist.linux-x86_64/wheel/./ase/cluster
-copying build/lib/ase/cluster/wulff.py -> build/bdist.linux-x86_64/wheel/./ase/cluster
-copying build/lib/ase/cluster/cluster.py -> build/bdist.linux-x86_64/wheel/./ase/cluster
-copying build/lib/ase/cluster/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/cluster
-copying build/lib/ase/cluster/decahedron.py -> build/bdist.linux-x86_64/wheel/./ase/cluster
-copying build/lib/ase/cluster/util.py -> build/bdist.linux-x86_64/wheel/./ase/cluster
-copying build/lib/ase/cluster/cubic.py -> build/bdist.linux-x86_64/wheel/./ase/cluster
-creating build/bdist.linux-x86_64/wheel/ase/md
-copying build/lib/ase/md/npt.py -> build/bdist.linux-x86_64/wheel/./ase/md
-copying build/lib/ase/md/logger.py -> build/bdist.linux-x86_64/wheel/./ase/md
-copying build/lib/ase/md/md.py -> build/bdist.linux-x86_64/wheel/./ase/md
-copying build/lib/ase/md/nptberendsen.py -> build/bdist.linux-x86_64/wheel/./ase/md
-copying build/lib/ase/md/contour_exploration.py -> build/bdist.linux-x86_64/wheel/./ase/md
-copying build/lib/ase/md/analysis.py -> build/bdist.linux-x86_64/wheel/./ase/md
-copying build/lib/ase/md/bussi.py -> build/bdist.linux-x86_64/wheel/./ase/md
-copying build/lib/ase/md/langevin.py -> build/bdist.linux-x86_64/wheel/./ase/md
-copying build/lib/ase/md/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/md
-copying build/lib/ase/md/verlet.py -> build/bdist.linux-x86_64/wheel/./ase/md
-copying build/lib/ase/md/andersen.py -> build/bdist.linux-x86_64/wheel/./ase/md
-copying build/lib/ase/md/nvtberendsen.py -> build/bdist.linux-x86_64/wheel/./ase/md
-copying build/lib/ase/md/nose_hoover_chain.py -> build/bdist.linux-x86_64/wheel/./ase/md
-copying build/lib/ase/md/velocitydistribution.py -> build/bdist.linux-x86_64/wheel/./ase/md
-copying build/lib/ase/md/switch_langevin.py -> build/bdist.linux-x86_64/wheel/./ase/md
-copying build/lib/ase/md/fix.py -> build/bdist.linux-x86_64/wheel/./ase/md
-copying build/lib/ase/formula.py -> build/bdist.linux-x86_64/wheel/./ase
-creating build/bdist.linux-x86_64/wheel/ase/optimize
-copying build/lib/ase/optimize/sciopt.py -> build/bdist.linux-x86_64/wheel/./ase/optimize
-copying build/lib/ase/optimize/climbfixinternals.py -> build/bdist.linux-x86_64/wheel/./ase/optimize
-copying build/lib/ase/optimize/bfgs.py -> build/bdist.linux-x86_64/wheel/./ase/optimize
-copying build/lib/ase/optimize/fire2.py -> build/bdist.linux-x86_64/wheel/./ase/optimize
-creating build/bdist.linux-x86_64/wheel/ase/optimize/gpmin
-copying build/lib/ase/optimize/gpmin/kernel.py -> build/bdist.linux-x86_64/wheel/./ase/optimize/gpmin
-copying build/lib/ase/optimize/gpmin/prior.py -> build/bdist.linux-x86_64/wheel/./ase/optimize/gpmin
-copying build/lib/ase/optimize/gpmin/gp.py -> build/bdist.linux-x86_64/wheel/./ase/optimize/gpmin
-copying build/lib/ase/optimize/gpmin/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/optimize/gpmin
-copying build/lib/ase/optimize/gpmin/gpmin.py -> build/bdist.linux-x86_64/wheel/./ase/optimize/gpmin
-copying build/lib/ase/optimize/basin.py -> build/bdist.linux-x86_64/wheel/./ase/optimize
-creating build/bdist.linux-x86_64/wheel/ase/optimize/test
-copying build/lib/ase/optimize/test/systems.py -> build/bdist.linux-x86_64/wheel/./ase/optimize/test
-copying build/lib/ase/optimize/test/test.py -> build/bdist.linux-x86_64/wheel/./ase/optimize/test
-copying build/lib/ase/optimize/test/analyze.py -> build/bdist.linux-x86_64/wheel/./ase/optimize/test
-copying build/lib/ase/optimize/test/generate_rst.py -> build/bdist.linux-x86_64/wheel/./ase/optimize/test
-copying build/lib/ase/optimize/test/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/optimize/test
-copying build/lib/ase/optimize/test/neb.py -> build/bdist.linux-x86_64/wheel/./ase/optimize/test
-copying build/lib/ase/optimize/mdmin.py -> build/bdist.linux-x86_64/wheel/./ase/optimize
-copying build/lib/ase/optimize/minimahopping.py -> build/bdist.linux-x86_64/wheel/./ase/optimize
-copying build/lib/ase/optimize/fire.py -> build/bdist.linux-x86_64/wheel/./ase/optimize
-copying build/lib/ase/optimize/oldqn.py -> build/bdist.linux-x86_64/wheel/./ase/optimize
-creating build/bdist.linux-x86_64/wheel/ase/optimize/precon
-copying build/lib/ase/optimize/precon/neighbors.py -> build/bdist.linux-x86_64/wheel/./ase/optimize/precon
-copying build/lib/ase/optimize/precon/fire.py -> build/bdist.linux-x86_64/wheel/./ase/optimize/precon
-copying build/lib/ase/optimize/precon/precon.py -> build/bdist.linux-x86_64/wheel/./ase/optimize/precon
-copying build/lib/ase/optimize/precon/lbfgs.py -> build/bdist.linux-x86_64/wheel/./ase/optimize/precon
-copying build/lib/ase/optimize/precon/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/optimize/precon
-copying build/lib/ase/optimize/ode.py -> build/bdist.linux-x86_64/wheel/./ase/optimize
-copying build/lib/ase/optimize/lbfgs.py -> build/bdist.linux-x86_64/wheel/./ase/optimize
-copying build/lib/ase/optimize/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/optimize
-copying build/lib/ase/optimize/bfgslinesearch.py -> build/bdist.linux-x86_64/wheel/./ase/optimize
-copying build/lib/ase/optimize/cellawarebfgs.py -> build/bdist.linux-x86_64/wheel/./ase/optimize
-copying build/lib/ase/optimize/optimize.py -> build/bdist.linux-x86_64/wheel/./ase/optimize
-copying build/lib/ase/nomad.py -> build/bdist.linux-x86_64/wheel/./ase
-copying build/lib/ase/__init__.py -> build/bdist.linux-x86_64/wheel/./ase
-copying build/lib/ase/atom.py -> build/bdist.linux-x86_64/wheel/./ase
-copying build/lib/ase/dimer.py -> build/bdist.linux-x86_64/wheel/./ase
-copying build/lib/ase/filters.py -> build/bdist.linux-x86_64/wheel/./ase
-copying build/lib/ase/neb.py -> build/bdist.linux-x86_64/wheel/./ase
-copying build/lib/ase/neighborlist.py -> build/bdist.linux-x86_64/wheel/./ase
-copying build/lib/ase/outputs.py -> build/bdist.linux-x86_64/wheel/./ase
-creating build/bdist.linux-x86_64/wheel/ase/mep
-copying build/lib/ase/mep/autoneb.py -> build/bdist.linux-x86_64/wheel/./ase/mep
-copying build/lib/ase/mep/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/mep
-copying build/lib/ase/mep/dimer.py -> build/bdist.linux-x86_64/wheel/./ase/mep
-copying build/lib/ase/mep/neb.py -> build/bdist.linux-x86_64/wheel/./ase/mep
-copying build/lib/ase/mep/dyneb.py -> build/bdist.linux-x86_64/wheel/./ase/mep
-creating build/bdist.linux-x86_64/wheel/ase/gui
-copying build/lib/ase/gui/status.py -> build/bdist.linux-x86_64/wheel/./ase/gui
-copying build/lib/ase/gui/surfaceslab.py -> build/bdist.linux-x86_64/wheel/./ase/gui
-copying build/lib/ase/gui/pipe.py -> build/bdist.linux-x86_64/wheel/./ase/gui
-copying build/lib/ase/gui/utils.py -> build/bdist.linux-x86_64/wheel/./ase/gui
-copying build/lib/ase/gui/view.py -> build/bdist.linux-x86_64/wheel/./ase/gui
-copying build/lib/ase/gui/repeat.py -> build/bdist.linux-x86_64/wheel/./ase/gui
-copying build/lib/ase/gui/gui.py -> build/bdist.linux-x86_64/wheel/./ase/gui
-copying build/lib/ase/gui/defaults.py -> build/bdist.linux-x86_64/wheel/./ase/gui
-copying build/lib/ase/gui/i18n.py -> build/bdist.linux-x86_64/wheel/./ase/gui
-copying build/lib/ase/gui/colors.py -> build/bdist.linux-x86_64/wheel/./ase/gui
-copying build/lib/ase/gui/constraints.py -> build/bdist.linux-x86_64/wheel/./ase/gui
-copying build/lib/ase/gui/ui.py -> build/bdist.linux-x86_64/wheel/./ase/gui
-copying build/lib/ase/gui/widgets.py -> build/bdist.linux-x86_64/wheel/./ase/gui
-copying build/lib/ase/gui/movie.py -> build/bdist.linux-x86_64/wheel/./ase/gui
-copying build/lib/ase/gui/images.py -> build/bdist.linux-x86_64/wheel/./ase/gui
-copying build/lib/ase/gui/add.py -> build/bdist.linux-x86_64/wheel/./ase/gui
-copying build/lib/ase/gui/rotate.py -> build/bdist.linux-x86_64/wheel/./ase/gui
-copying build/lib/ase/gui/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/gui
-copying build/lib/ase/gui/celleditor.py -> build/bdist.linux-x86_64/wheel/./ase/gui
-copying build/lib/ase/gui/quickinfo.py -> build/bdist.linux-x86_64/wheel/./ase/gui
-copying build/lib/ase/gui/nanotube.py -> build/bdist.linux-x86_64/wheel/./ase/gui
-copying build/lib/ase/gui/settings.py -> build/bdist.linux-x86_64/wheel/./ase/gui
-copying build/lib/ase/gui/render.py -> build/bdist.linux-x86_64/wheel/./ase/gui
-copying build/lib/ase/gui/graphs.py -> build/bdist.linux-x86_64/wheel/./ase/gui
-copying build/lib/ase/gui/modify.py -> build/bdist.linux-x86_64/wheel/./ase/gui
-copying build/lib/ase/gui/ag.py -> build/bdist.linux-x86_64/wheel/./ase/gui
-copying build/lib/ase/gui/save.py -> build/bdist.linux-x86_64/wheel/./ase/gui
-copying build/lib/ase/gui/clipboard.py -> build/bdist.linux-x86_64/wheel/./ase/gui
-copying build/lib/ase/gui/nanoparticle.py -> build/bdist.linux-x86_64/wheel/./ase/gui
-creating build/bdist.linux-x86_64/wheel/ase/gui/po
-creating build/bdist.linux-x86_64/wheel/ase/gui/po/fr
-creating build/bdist.linux-x86_64/wheel/ase/gui/po/fr/LC_MESSAGES
-copying build/lib/ase/gui/po/fr/LC_MESSAGES/ag.mo -> build/bdist.linux-x86_64/wheel/./ase/gui/po/fr/LC_MESSAGES
-copying build/lib/ase/gui/po/fr/LC_MESSAGES/ag.po -> build/bdist.linux-x86_64/wheel/./ase/gui/po/fr/LC_MESSAGES
-creating build/bdist.linux-x86_64/wheel/ase/gui/po/fi
-creating build/bdist.linux-x86_64/wheel/ase/gui/po/fi/LC_MESSAGES
-copying build/lib/ase/gui/po/fi/LC_MESSAGES/ag.mo -> build/bdist.linux-x86_64/wheel/./ase/gui/po/fi/LC_MESSAGES
-copying build/lib/ase/gui/po/fi/LC_MESSAGES/ag.po -> build/bdist.linux-x86_64/wheel/./ase/gui/po/fi/LC_MESSAGES
-creating build/bdist.linux-x86_64/wheel/ase/gui/po/zh_CN
-creating build/bdist.linux-x86_64/wheel/ase/gui/po/zh_CN/LC_MESSAGES
-copying build/lib/ase/gui/po/zh_CN/LC_MESSAGES/ag.mo -> build/bdist.linux-x86_64/wheel/./ase/gui/po/zh_CN/LC_MESSAGES
-copying build/lib/ase/gui/po/zh_CN/LC_MESSAGES/ag.po -> build/bdist.linux-x86_64/wheel/./ase/gui/po/zh_CN/LC_MESSAGES
-creating build/bdist.linux-x86_64/wheel/ase/gui/po/sv
-creating build/bdist.linux-x86_64/wheel/ase/gui/po/sv/LC_MESSAGES
-copying build/lib/ase/gui/po/sv/LC_MESSAGES/ag.mo -> build/bdist.linux-x86_64/wheel/./ase/gui/po/sv/LC_MESSAGES
-copying build/lib/ase/gui/po/sv/LC_MESSAGES/ag.po -> build/bdist.linux-x86_64/wheel/./ase/gui/po/sv/LC_MESSAGES
-creating build/bdist.linux-x86_64/wheel/ase/gui/po/es
-creating build/bdist.linux-x86_64/wheel/ase/gui/po/es/LC_MESSAGES
-copying build/lib/ase/gui/po/es/LC_MESSAGES/ag.mo -> build/bdist.linux-x86_64/wheel/./ase/gui/po/es/LC_MESSAGES
-copying build/lib/ase/gui/po/es/LC_MESSAGES/ag.po -> build/bdist.linux-x86_64/wheel/./ase/gui/po/es/LC_MESSAGES
-copying build/lib/ase/gui/po/Makefile -> build/bdist.linux-x86_64/wheel/./ase/gui/po
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-copying build/lib/ase/ga/__init__.py -> build/bdist.linux-x86_64/wheel/./ase/ga
-copying build/lib/ase/ga/particle_comparator.py -> build/bdist.linux-x86_64/wheel/./ase/ga
-copying build/lib/ase/ga/bulk_mutations.py -> build/bdist.linux-x86_64/wheel/./ase/ga
-copying build/lib/ase/ga/standard_comparators.py -> build/bdist.linux-x86_64/wheel/./ase/ga
-copying build/lib/ase/ga/cutandsplicepairing.py -> build/bdist.linux-x86_64/wheel/./ase/ga
-copying build/lib/ase/ga/slab_operators.py -> build/bdist.linux-x86_64/wheel/./ase/ga
-copying build/lib/ase/ga/soft_mutation.py -> build/bdist.linux-x86_64/wheel/./ase/ga
+copying build/lib/ase/cli/exec.py -> build/bdist.linux-x86_64/wheel/./ase/cli
+copying build/lib/ase/cli/find.py -> build/bdist.linux-x86_64/wheel/./ase/cli
 running install_egg_info
 Copying ase.egg-info to build/bdist.linux-x86_64/wheel/./ase-3.24.0.egg-info
 running install_scripts
 creating build/bdist.linux-x86_64/wheel/ase-3.24.0.dist-info/WHEEL
-creating '/build/reproducible-path/python-ase-3.24.0/.pybuild/cpython3_3.13_ase/.tmp-i3okkfj9/ase-3.24.0-py3-none-any.whl' and adding 'build/bdist.linux-x86_64/wheel' to it
+creating '/build/reproducible-path/python-ase-3.24.0/.pybuild/cpython3_3.13_ase/.tmp-fu1p30_9/ase-3.24.0-py3-none-any.whl' and adding 'build/bdist.linux-x86_64/wheel' to it
 adding 'ase/__init__.py'
 adding 'ase/__main__.py'
 adding 'ase/atom.py'
@@ -5802,40 +5839,40 @@
 Datafiles: ase-datafiles package not installed
 
   [ ] abinit           not installed: 'abinit'
-  [ ] ace              cfg=<ase.config.Config object at 0x7f42ceff9590>
+  [ ] ace              cfg=<ase.config.Config object at 0x7fb2c1511590>
   [ ] aims             not installed: 'aims'
-  [ ] amber            cfg=<ase.config.Config object at 0x7f42ceff9590>
+  [ ] amber            cfg=<ase.config.Config object at 0x7fb2c1511590>
   [ ] asap             not installed: asap3
   [ ] castep           not installed: 'castep'
   [ ] cp2k             not installed: 'cp2k'
-  [ ] crystal          cfg=<ase.config.Config object at 0x7f42ceff9590>
-  [ ] demon            cfg=<ase.config.Config object at 0x7f42ceff9590>
-  [ ] demonnano        cfg=<ase.config.Config object at 0x7f42ceff9590>
+  [ ] crystal          cfg=<ase.config.Config object at 0x7fb2c1511590>
+  [ ] demon            cfg=<ase.config.Config object at 0x7fb2c1511590>
+  [ ] demonnano        cfg=<ase.config.Config object at 0x7fb2c1511590>
   [ ] dftb             not installed: No 'dftb' section
   [ ] dftd3            not installed: 'dftd3'
-  [ ] dmol             cfg=<ase.config.Config object at 0x7f42ceff9590>
+  [ ] dmol             cfg=<ase.config.Config object at 0x7fb2c1511590>
   [ ] elk              not installed: No 'elk' section
   [ ] espresso         not installed: 'espresso'
   [ ] exciting         not installed: 'exciting'
-  [ ] gamess_us        cfg=<ase.config.Config object at 0x7f42ceff9590>
-  [ ] gaussian         cfg=<ase.config.Config object at 0x7f42ceff9590>
+  [ ] gamess_us        cfg=<ase.config.Config object at 0x7fb2c1511590>
+  [ ] gaussian         cfg=<ase.config.Config object at 0x7fb2c1511590>
   [ ] gpaw             not installed: gpaw
   [ ] gromacs          not installed: 'gromacs'
-  [ ] gulp             cfg=<ase.config.Config object at 0x7f42ceff9590>
-  [ ] hotbit           cfg=<ase.config.Config object at 0x7f42ceff9590>
+  [ ] gulp             cfg=<ase.config.Config object at 0x7fb2c1511590>
+  [ ] hotbit           cfg=<ase.config.Config object at 0x7fb2c1511590>
   [ ] 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=<ase.config.Config object at 0x7f42ceff9590>
+  [ ] onetep           cfg=<ase.config.Config object at 0x7fb2c1511590>
   [ ] openmx           not installed: 'openmx'
   [ ] orca             not installed: 'orca'
   [ ] plumed           not installed: 
   [ ] psi4             not installed: psi4
-  [ ] qchem            cfg=<ase.config.Config object at 0x7f42ceff9590>
+  [ ] qchem            cfg=<ase.config.Config object at 0x7fb2c1511590>
   [ ] siesta           not installed: No 'siesta' section
-  [ ] turbomole        cfg=<ase.config.Config object at 0x7f42ceff9590>
+  [ ] turbomole        cfg=<ase.config.Config object at 0x7fb2c1511590>
   [ ] vasp             not installed: 'vasp'
 
  * Use --calculators option to select calculators.
@@ -5850,7 +5887,7 @@
 
 rootdir: /build/reproducible-path/python-ase-3.24.0/.pybuild/cpython3_3.13_ase/build/ase/test
 configfile: pytest.ini
-plugins: typeguard-4.4.2, mock-3.14.0
+plugins: mock-3.14.0, typeguard-4.4.2
 collected 3479 items / 1 deselected / 2 skipped / 3478 selected
 
 atoms/test_atom.py ..                                                    [  0%]
@@ -6434,32 +6471,30 @@
   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 <sqlite3.Connection object at 0x7f42c3b82110>
-    def __init__(
+  /usr/lib/python3/dist-packages/_pytest/unraisableexception.py:50: ResourceWarning: unclosed database in <sqlite3.Connection object at 0x7fb2b5fb95d0>
+    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 <sqlite3.Connection object at 0x7f42c3b406d0>
-    def __init__(
+  /usr/lib/python3/dist-packages/_pytest/unraisableexception.py:50: ResourceWarning: unclosed database in <sqlite3.Connection object at 0x7fb2b5d50310>
+    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 <sqlite3.Connection object at 0x7f42c3b42200>
-    def __init__(
+  /usr/lib/python3/dist-packages/_pytest/unraisableexception.py:50: ResourceWarning: unclosed database in <sqlite3.Connection object at 0x7fb2b5d50400>
+    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 <sqlite3.Connection object at 0x7f42c3b833d0>
-    params = OrderedDict((param.name, param) for param in parameters)
+  <frozen importlib._bootstrap>:456: ResourceWarning: unclosed database in <sqlite3.Connection object at 0x7fb2b6051210>
   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 <sqlite3.Connection object at 0x7f42c3b80220>
-    params = OrderedDict((param.name, param) for param in parameters)
+  <frozen importlib._bootstrap>:456: ResourceWarning: unclosed database in <sqlite3.Connection object at 0x7fb2b6051e40>
   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.
 
@@ -6470,43 +6505,43 @@
   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 <sqlite3.Connection object at 0x7f42c2bec5e0>
+  /usr/lib/python3.13/functools.py:504: ResourceWarning: unclosed database in <sqlite3.Connection object at 0x7fb2b4f785e0>
     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 <sqlite3.Connection object at 0x7f42c2bec6d0>
+  /usr/lib/python3.13/functools.py:504: ResourceWarning: unclosed database in <sqlite3.Connection object at 0x7fb2b4f786d0>
     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 <sqlite3.Connection object at 0x7f42c2bec8b0>
+  /usr/lib/python3.13/functools.py:504: ResourceWarning: unclosed database in <sqlite3.Connection object at 0x7fb2b4f788b0>
     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 <sqlite3.Connection object at 0x7f42c2bec9a0>
+  /usr/lib/python3.13/functools.py:504: ResourceWarning: unclosed database in <sqlite3.Connection object at 0x7fb2b4f789a0>
     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 <sqlite3.Connection object at 0x7f42c2becc70>
+  /usr/lib/python3.13/functools.py:504: ResourceWarning: unclosed database in <sqlite3.Connection object at 0x7fb2b4f78c70>
     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 <sqlite3.Connection object at 0x7f42c2bece50>
+  /usr/lib/python3.13/functools.py:504: ResourceWarning: unclosed database in <sqlite3.Connection object at 0x7fb2b4f78e50>
     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 <sqlite3.Connection object at 0x7f42c2bed120>
+  /usr/lib/python3.13/functools.py:504: ResourceWarning: unclosed database in <sqlite3.Connection object at 0x7fb2b4f79120>
     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.
@@ -6518,7 +6553,7 @@
   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:198: ResourceWarning: unclosed database in <sqlite3.Connection object at 0x7f42c36267a0>
+  /usr/lib/python3/dist-packages/scipy/sparse/_coo.py:198: ResourceWarning: unclosed database in <sqlite3.Connection object at 0x7fb2b50767a0>
     self.coords = tuple(np.asarray(idx, dtype=idx_dtype)
   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.
@@ -6530,13 +6565,13 @@
   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/numpy/lib/_function_base_impl.py:2487: ResourceWarning: unclosed file <_io.BufferedWriter name='fragile_BFGSLineSearch.traj'>
-    def _call_as_normal(self, *args, **kwargs):
+  /usr/lib/python3/dist-packages/matplotlib/transforms.py:197: ResourceWarning: unclosed file <_io.BufferedWriter name='fragile_BFGSLineSearch.traj'>
+    ref = weakref.ref(
   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 189.65s (0:03:09) =
+= 2914 passed, 540 skipped, 1 deselected, 26 xfailed, 20 warnings in 2182.84s (0:36:22) =
 <sys>: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
@@ -6577,7 +6612,7 @@
 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-ozhcvifm 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-db8h8oxm 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
@@ -6587,63 +6622,63 @@
 running: ./doc/ase/plot_radii.py
 ./doc/ase atomic_radii.png
 running: ./doc/ase/precon.py
-PreconLBFGS:   0  00:00:47       11.881544       5.0770
-PreconLBFGS:   1  00:00:47        9.721479       3.9439
-PreconLBFGS:   2  00:00:47        8.763736       4.8036
-PreconLBFGS:   3  00:00:47        7.844821       3.7443
-PreconLBFGS:   4  00:00:47        6.983034       4.0077
-PreconLBFGS:   5  00:00:47        6.241838       3.4906
-PreconLBFGS:   6  00:00:47        5.431719       3.4055
-PreconLBFGS:   7  00:00:47        4.618000       3.0392
-PreconLBFGS:   8  00:00:47        3.870055       2.6555
-PreconLBFGS:   9  00:00:47        3.227248       2.3331
-PreconLBFGS:  10  00:00:47        2.530719       2.0596
-PreconLBFGS:  11  00:00:47        2.033757       1.7769
-PreconLBFGS:  12  00:00:47        1.512731       1.4761
-PreconLBFGS:  13  00:00:47        1.149587       1.1205
-PreconLBFGS:  14  00:00:47        0.914239       0.8209
-PreconLBFGS:  15  00:00:47        0.788020       0.5450
-PreconLBFGS:  16  00:00:47        0.714341       0.3851
-PreconLBFGS:  17  00:00:47        0.674602       0.2785
-PreconLBFGS:  18  00:00:47        0.652484       0.2171
-PreconLBFGS:  19  00:00:47        0.643906       0.1797
-PreconLBFGS:  20  00:00:47        0.640309       0.1501
-PreconLBFGS:  21  00:00:47        0.638003       0.1324
-PreconLBFGS:  22  00:00:47        0.636776       0.1094
-PreconLBFGS:  23  00:00:47        0.635986       0.0850
-PreconLBFGS:  24  00:00:47        0.635433       0.0522
-PreconLBFGS:  25  00:00:47        0.634973       0.0305
-PreconLBFGS:  26  00:00:47        0.634716       0.0193
-PreconLBFGS:  27  00:00:47        0.634592       0.0132
-PreconLBFGS:  28  00:00:47        0.634522       0.0112
-PreconLBFGS:  29  00:00:47        0.634486       0.0089
-PreconLBFGS:  30  00:00:47        0.634470       0.0083
-PreconLBFGS:  31  00:00:47        0.634462       0.0072
-PreconLBFGS:  32  00:00:47        0.634456       0.0050
-PreconLBFGS:  33  00:00:47        0.634452       0.0030
-PreconLBFGS:  34  00:00:48        0.634449       0.0017
-PreconLBFGS:  35  00:00:48        0.634448       0.0013
-PreconLBFGS:  36  00:00:48        0.634447       0.0009
-PreconLBFGS:   0  00:00:48       11.881544       5.0770
-PreconLBFGS:   1  00:00:48        9.794004       4.0022
-PreconLBFGS:   2  00:00:48        7.255200       3.4746
-PreconLBFGS:   3  00:00:48        5.540273       2.7637
-PreconLBFGS:   4  00:00:48        4.030393       2.2824
-PreconLBFGS:   5  00:00:48        2.861759       1.7993
-PreconLBFGS:   6  00:00:48        1.960588       1.3805
-PreconLBFGS:   7  00:00:48        1.319087       0.9972
-PreconLBFGS:   8  00:00:48        0.913600       0.6490
-PreconLBFGS:   9  00:00:48        0.661975       0.1417
-PreconLBFGS:  10  00:00:48        0.649358       0.0762
-PreconLBFGS:  11  00:00:48        0.637452       0.0305
-PreconLBFGS:  12  00:00:48        0.636014       0.0233
-PreconLBFGS:  13  00:00:48        0.635005       0.0150
-PreconLBFGS:  14  00:00:48        0.634698       0.0076
-PreconLBFGS:  15  00:00:48        0.634546       0.0033
-PreconLBFGS:  16  00:00:48        0.634482       0.0026
-PreconLBFGS:  17  00:00:48        0.634461       0.0020
-PreconLBFGS:  18  00:00:48        0.634453       0.0012
-PreconLBFGS:  19  00:00:48        0.634449       0.0009
+PreconLBFGS:   0  20:43:27       11.881544       5.0770
+PreconLBFGS:   1  20:43:28        9.721479       3.9439
+PreconLBFGS:   2  20:43:28        8.763736       4.8036
+PreconLBFGS:   3  20:43:28        7.844821       3.7443
+PreconLBFGS:   4  20:43:28        6.983034       4.0077
+PreconLBFGS:   5  20:43:28        6.241838       3.4906
+PreconLBFGS:   6  20:43:28        5.431719       3.4055
+PreconLBFGS:   7  20:43:28        4.618000       3.0392
+PreconLBFGS:   8  20:43:28        3.870055       2.6555
+PreconLBFGS:   9  20:43:29        3.227248       2.3331
+PreconLBFGS:  10  20:43:29        2.530719       2.0596
+PreconLBFGS:  11  20:43:29        2.033757       1.7769
+PreconLBFGS:  12  20:43:29        1.512731       1.4761
+PreconLBFGS:  13  20:43:29        1.149587       1.1205
+PreconLBFGS:  14  20:43:30        0.914239       0.8209
+PreconLBFGS:  15  20:43:30        0.788020       0.5450
+PreconLBFGS:  16  20:43:30        0.714341       0.3851
+PreconLBFGS:  17  20:43:31        0.674602       0.2785
+PreconLBFGS:  18  20:43:31        0.652484       0.2171
+PreconLBFGS:  19  20:43:31        0.643906       0.1797
+PreconLBFGS:  20  20:43:31        0.640309       0.1501
+PreconLBFGS:  21  20:43:32        0.638003       0.1324
+PreconLBFGS:  22  20:43:32        0.636776       0.1094
+PreconLBFGS:  23  20:43:32        0.635986       0.0850
+PreconLBFGS:  24  20:43:32        0.635433       0.0522
+PreconLBFGS:  25  20:43:33        0.634973       0.0305
+PreconLBFGS:  26  20:43:33        0.634716       0.0193
+PreconLBFGS:  27  20:43:33        0.634592       0.0132
+PreconLBFGS:  28  20:43:34        0.634522       0.0112
+PreconLBFGS:  29  20:43:34        0.634486       0.0089
+PreconLBFGS:  30  20:43:35        0.634470       0.0083
+PreconLBFGS:  31  20:43:35        0.634462       0.0072
+PreconLBFGS:  32  20:43:35        0.634456       0.0050
+PreconLBFGS:  33  20:43:35        0.634452       0.0030
+PreconLBFGS:  34  20:43:36        0.634449       0.0017
+PreconLBFGS:  35  20:43:37        0.634448       0.0013
+PreconLBFGS:  36  20:43:37        0.634447       0.0009
+PreconLBFGS:   0  20:43:37       11.881544       5.0770
+PreconLBFGS:   1  20:43:38        9.794004       4.0022
+PreconLBFGS:   2  20:43:38        7.255200       3.4746
+PreconLBFGS:   3  20:43:38        5.540273       2.7637
+PreconLBFGS:   4  20:43:39        4.030393       2.2824
+PreconLBFGS:   5  20:43:39        2.861759       1.7993
+PreconLBFGS:   6  20:43:39        1.960588       1.3805
+PreconLBFGS:   7  20:43:40        1.319087       0.9972
+PreconLBFGS:   8  20:43:40        0.913600       0.6490
+PreconLBFGS:   9  20:43:40        0.661975       0.1417
+PreconLBFGS:  10  20:43:41        0.649358       0.0762
+PreconLBFGS:  11  20:43:41        0.637452       0.0305
+PreconLBFGS:  12  20:43:41        0.636014       0.0233
+PreconLBFGS:  13  20:43:41        0.635005       0.0150
+PreconLBFGS:  14  20:43:42        0.634698       0.0076
+PreconLBFGS:  15  20:43:42        0.634546       0.0033
+PreconLBFGS:  16  20:43:42        0.634482       0.0026
+PreconLBFGS:  17  20:43:43        0.634461       0.0020
+PreconLBFGS:  18  20:43:43        0.634453       0.0012
+PreconLBFGS:  19  20:43:43        0.634449       0.0009
 ./doc/ase precon.png
 running: ./doc/ase/xrdebye.py
 ./doc/ase saxs.png
@@ -6761,23 +6796,23 @@
 ./doc/ase/cluster truncated.png
 running: ./doc/ase/db/db.py
       Step     Time          Energy          fmax
-BFGS:    0 00:01:09        1.419426        9.802896
-BFGS:    1 00:01:09        2.139894        7.932239
-BFGS:    2 00:01:09        1.280719        4.990243
-BFGS:    3 00:01:09        2.298637       21.460333
-BFGS:    4 00:01:09        1.122419        2.768433
-BFGS:    5 00:01:09        1.081517        1.343938
-BFGS:    6 00:01:09        1.070848        0.236320
-BFGS:    7 00:01:09        1.070543        0.015684
-BFGS:    8 00:01:09        1.070541        0.000166
+BFGS:    0 20:45:23        1.419426        9.802896
+BFGS:    1 20:45:23        2.139894        7.932239
+BFGS:    2 20:45:23        1.280719        4.990243
+BFGS:    3 20:45:23        2.298637       21.460333
+BFGS:    4 20:45:23        1.122419        2.768433
+BFGS:    5 20:45:23        1.081517        1.343938
+BFGS:    6 20:45:23        1.070848        0.236320
+BFGS:    7 20:45:23        1.070543        0.015684
+BFGS:    8 20:45:23        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             : 3c7817d3c7ced0b0f04d3148ab2cffc7
-ctime                 : 26.2739013508805
-mtime                 : 26.2739013508805
-user                  : pbuilder1
+unique_id             : 389aecf8f832513341fdb565a5396807
+ctime                 : 25.18363638870964
+mtime                 : 25.18363638870964
+user                  : pbuilder2
 numbers               : [1 1]
 positions             : [[ 3.25321813e-18  4.32339083e-17 -3.95240142e-02]
  [ 1.00226092e-17  3.77620610e-18  7.39524014e-01]]
@@ -6919,9 +6954,9 @@
 ./doc/gallery sqs_cell.png
 running: ./doc/gettingstarted/surface.py
                 Step[ FC]     Time          Energy          fmax
-BFGSLineSearch:    0[  0] 00:02:08       11.689927       1.0797
-BFGSLineSearch:    1[  2] 00:02:08       11.670814       0.4090
-BFGSLineSearch:    2[  4] 00:02:08       11.625880       0.0409
+BFGSLineSearch:    0[  0] 20:48:26       11.689927       1.0797
+BFGSLineSearch:    1[  2] 20:48:26       11.670814       0.4090
+BFGSLineSearch:    2[  4] 20:48:26       11.625880       0.0409
 Adsorption energy: 0.32351942231764497
 ./doc/gettingstarted surface.png
 running: ./doc/gettingstarted/manipulating_atoms/interface-h2o.py
@@ -6951,119 +6986,119 @@
 [ 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] 00:02:11        4.639215       0.2538
-BFGSLineSearch:    1[  2] 00:02:11        4.622063       0.1580
-BFGSLineSearch:    2[  4] 00:02:11        4.613340       0.0622
-BFGSLineSearch:    3[  5] 00:02:11        4.611640       0.0336
+BFGSLineSearch:    0[  0] 20:48:32        4.639215       0.2538
+BFGSLineSearch:    1[  2] 20:48:32        4.622063       0.1580
+BFGSLineSearch:    2[  4] 20:48:32        4.613340       0.0622
+BFGSLineSearch:    3[  5] 20:48:32        4.611640       0.0336
                 Step[ FC]     Time          Energy          fmax
-BFGSLineSearch:    0[  0] 00:02:11        4.639215       0.2538
-BFGSLineSearch:    1[  2] 00:02:11        4.622063       0.1580
-BFGSLineSearch:    2[  4] 00:02:11        4.613340       0.0622
-BFGSLineSearch:    3[  5] 00:02:11        4.611640       0.0336
+BFGSLineSearch:    0[  0] 20:48:32        4.639215       0.2538
+BFGSLineSearch:    1[  2] 20:48:32        4.622063       0.1580
+BFGSLineSearch:    2[  4] 20:48:33        4.613340       0.0622
+BFGSLineSearch:    3[  5] 20:48:33        4.611640       0.0336
        Step     Time          Energy          fmax
-MDMin:    0 00:02:11        4.969997        1.013167
-MDMin:    1 00:02:11        4.922173        0.852585
-MDMin:    2 00:02:11        4.833353        0.471496
-MDMin:    3 00:02:11        4.783147        0.144529
-MDMin:    4 00:02:11        4.762840        0.108253
-MDMin:    5 00:02:11        4.748802        0.124316
-MDMin:    6 00:02:11        4.738339        0.112472
-MDMin:    7 00:02:11        4.734398        0.137277
-MDMin:    8 00:02:11        4.733206        0.129119
-MDMin:    9 00:02:11        4.730681        0.106635
-MDMin:   10 00:02:12        4.728545        0.079630
-MDMin:   11 00:02:12        4.726697        0.067014
-MDMin:   12 00:02:12        4.724795        0.055330
-MDMin:   13 00:02:12        4.723081        0.039372
+MDMin:    0 20:48:33        4.969997        1.013167
+MDMin:    1 20:48:33        4.922173        0.852585
+MDMin:    2 20:48:33        4.833353        0.471496
+MDMin:    3 20:48:33        4.783147        0.144529
+MDMin:    4 20:48:33        4.762840        0.108253
+MDMin:    5 20:48:33        4.748802        0.124316
+MDMin:    6 20:48:33        4.738339        0.112472
+MDMin:    7 20:48:33        4.734398        0.137277
+MDMin:    8 20:48:33        4.733206        0.129119
+MDMin:    9 20:48:33        4.730681        0.106635
+MDMin:   10 20:48:33        4.728545        0.079630
+MDMin:   11 20:48:33        4.726697        0.067014
+MDMin:   12 20:48:33        4.724795        0.055330
+MDMin:   13 20:48:33        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] 00:02:12        4.639215       0.2538
-BFGSLineSearch:    1[  2] 00:02:12        4.622063       0.1580
-BFGSLineSearch:    2[  4] 00:02:12        4.613340       0.0622
-BFGSLineSearch:    3[  5] 00:02:12        4.611640       0.0336
+BFGSLineSearch:    0[  0] 20:48:33        4.639215       0.2538
+BFGSLineSearch:    1[  2] 20:48:33        4.622063       0.1580
+BFGSLineSearch:    2[  4] 20:48:33        4.613340       0.0622
+BFGSLineSearch:    3[  5] 20:48:33        4.611640       0.0336
                 Step[ FC]     Time          Energy          fmax
-BFGSLineSearch:    0[  0] 00:02:12        4.639215       0.2538
-BFGSLineSearch:    1[  2] 00:02:12        4.622063       0.1580
-BFGSLineSearch:    2[  4] 00:02:12        4.613340       0.0622
-BFGSLineSearch:    3[  5] 00:02:12        4.611640       0.0336
+BFGSLineSearch:    0[  0] 20:48:33        4.639215       0.2538
+BFGSLineSearch:    1[  2] 20:48:33        4.622063       0.1580
+BFGSLineSearch:    2[  4] 20:48:33        4.613340       0.0622
+BFGSLineSearch:    3[  5] 20:48:33        4.611640       0.0336
        Step     Time          Energy          fmax
-MDMin:    0 00:02:12        7.907337        7.446816
-MDMin:    1 00:02:12        6.168331        3.684232
-MDMin:    2 00:02:12        5.448313        0.969267
-MDMin:    3 00:02:12        5.248040        0.433781
-MDMin:    4 00:02:12        5.244261        0.367859
-MDMin:    5 00:02:12        5.233889        0.261533
-MDMin:    6 00:02:12        5.217233        0.238669
-MDMin:    7 00:02:12        5.202457        0.172860
-MDMin:    8 00:02:12        5.189948        0.131786
-MDMin:    9 00:02:12        5.181586        0.103072
-MDMin:   10 00:02:12        5.178987        0.114548
-MDMin:   11 00:02:12        5.178819        0.101284
-MDMin:   12 00:02:12        5.178339        0.067445
-MDMin:   13 00:02:12        5.177568        0.051243
-MDMin:   14 00:02:12        5.176716        0.043470
+MDMin:    0 20:48:33        7.907337        7.446816
+MDMin:    1 20:48:34        6.168331        3.684232
+MDMin:    2 20:48:34        5.448313        0.969267
+MDMin:    3 20:48:34        5.248040        0.433781
+MDMin:    4 20:48:34        5.244261        0.367859
+MDMin:    5 20:48:34        5.233889        0.261533
+MDMin:    6 20:48:34        5.217233        0.238669
+MDMin:    7 20:48:34        5.202457        0.172860
+MDMin:    8 20:48:34        5.189948        0.131786
+MDMin:    9 20:48:34        5.181586        0.103072
+MDMin:   10 20:48:34        5.178987        0.114548
+MDMin:   11 20:48:34        5.178819        0.101284
+MDMin:   12 20:48:34        5.178339        0.067445
+MDMin:   13 20:48:34        5.177568        0.051243
+MDMin:   14 20:48:34        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] 00:02:12        4.639215       0.2538
-BFGSLineSearch:    1[  2] 00:02:12        4.622063       0.1580
-BFGSLineSearch:    2[  4] 00:02:12        4.613340       0.0622
-BFGSLineSearch:    3[  5] 00:02:12        4.611640       0.0336
+BFGSLineSearch:    0[  0] 20:48:34        4.639215       0.2538
+BFGSLineSearch:    1[  2] 20:48:34        4.622063       0.1580
+BFGSLineSearch:    2[  4] 20:48:34        4.613340       0.0622
+BFGSLineSearch:    3[  5] 20:48:34        4.611640       0.0336
                 Step[ FC]     Time          Energy          fmax
-BFGSLineSearch:    0[  0] 00:02:12        4.639215       0.2538
-BFGSLineSearch:    1[  2] 00:02:12        4.622063       0.1580
-BFGSLineSearch:    2[  4] 00:02:12        4.613340       0.0622
-BFGSLineSearch:    3[  5] 00:02:12        4.611640       0.0336
+BFGSLineSearch:    0[  0] 20:48:34        4.639215       0.2538
+BFGSLineSearch:    1[  2] 20:48:34        4.622063       0.1580
+BFGSLineSearch:    2[  4] 20:48:34        4.613340       0.0622
+BFGSLineSearch:    3[  5] 20:48:34        4.611640       0.0336
        Step     Time          Energy          fmax
-MDMin:    0 00:02:12        5.433815        1.152831
-MDMin:    1 00:02:12        5.352153        1.037842
-MDMin:    2 00:02:12        5.179224        0.774873
-MDMin:    3 00:02:12        5.033743        0.467209
-MDMin:    4 00:02:12        4.952170        0.268933
-MDMin:    5 00:02:12        4.905035        0.159286
-MDMin:    6 00:02:12        4.877860        0.128152
-MDMin:    7 00:02:12        4.868891        0.139466
-MDMin:    8 00:02:12        4.868163        0.130688
-MDMin:    9 00:02:12        4.866419        0.110336
-MDMin:   10 00:02:12        4.864367        0.094365
-MDMin:   11 00:02:12        4.862194        0.089287
-MDMin:   12 00:02:12        4.859895        0.085385
-MDMin:   13 00:02:12        4.857565        0.080125
-MDMin:   14 00:02:12        4.855300        0.071964
-MDMin:   15 00:02:12        4.853137        0.058761
-MDMin:   16 00:02:13        4.851083        0.046082
+MDMin:    0 20:48:34        5.433815        1.152831
+MDMin:    1 20:48:34        5.352153        1.037842
+MDMin:    2 20:48:35        5.179224        0.774873
+MDMin:    3 20:48:35        5.033743        0.467209
+MDMin:    4 20:48:35        4.952170        0.268933
+MDMin:    5 20:48:35        4.905035        0.159286
+MDMin:    6 20:48:35        4.877860        0.128152
+MDMin:    7 20:48:35        4.868891        0.139466
+MDMin:    8 20:48:35        4.868163        0.130688
+MDMin:    9 20:48:35        4.866419        0.110336
+MDMin:   10 20:48:35        4.864367        0.094365
+MDMin:   11 20:48:35        4.862194        0.089287
+MDMin:   12 20:48:35        4.859895        0.085385
+MDMin:   13 20:48:35        4.857565        0.080125
+MDMin:   14 20:48:35        4.855300        0.071964
+MDMin:   15 20:48:35        4.853137        0.058761
+MDMin:   16 20:48:35        4.851083        0.046082
 ./doc/tutorials test.txt
 running: ./doc/tutorials/constraints/diffusion.py
                 Step[ FC]     Time          Energy          fmax
-BFGSLineSearch:    0[  0] 00:02:13        3.323870       0.2462
-BFGSLineSearch:    1[  1] 00:02:13        3.314754       0.0378
+BFGSLineSearch:    0[  0] 20:48:35        3.323870       0.2462
+BFGSLineSearch:    1[  1] 20:48:35        3.314754       0.0378
                 Step[ FC]     Time          Energy          fmax
-BFGSLineSearch:    0[  0] 00:02:13        3.730166       1.6460
-BFGSLineSearch:    1[  2] 00:02:13        3.546230       0.2605
-BFGSLineSearch:    2[  4] 00:02:13        3.513795       0.1080
-BFGSLineSearch:    3[  6] 00:02:13        3.502279       0.0500
+BFGSLineSearch:    0[  0] 20:48:35        3.730166       1.6460
+BFGSLineSearch:    1[  2] 20:48:35        3.546230       0.2605
+BFGSLineSearch:    2[  4] 20:48:35        3.513795       0.1080
+BFGSLineSearch:    3[  6] 20:48:35        3.502279       0.0500
                 Step[ FC]     Time          Energy          fmax
-BFGSLineSearch:    0[  0] 00:02:13        3.764262       1.0444
-BFGSLineSearch:    1[  2] 00:02:13        3.708446       0.1203
-BFGSLineSearch:    2[  4] 00:02:13        3.695835       0.0668
-BFGSLineSearch:    3[  6] 00:02:13        3.691660       0.0618
-BFGSLineSearch:    4[  7] 00:02:13        3.690089       0.0300
+BFGSLineSearch:    0[  0] 20:48:35        3.764262       1.0444
+BFGSLineSearch:    1[  2] 20:48:35        3.708446       0.1203
+BFGSLineSearch:    2[  4] 20:48:36        3.695835       0.0668
+BFGSLineSearch:    3[  6] 20:48:36        3.691660       0.0618
+BFGSLineSearch:    4[  7] 20:48:36        3.690089       0.0300
                 Step[ FC]     Time          Energy          fmax
-BFGSLineSearch:    0[  0] 00:02:13        3.580034       0.6521
-BFGSLineSearch:    1[  1] 00:02:13        3.544894       0.1627
-BFGSLineSearch:    2[  3] 00:02:13        3.516850       0.1946
-BFGSLineSearch:    3[  4] 00:02:13        3.508545       0.1325
-BFGSLineSearch:    4[  5] 00:02:13        3.503316       0.1022
-BFGSLineSearch:    5[  6] 00:02:13        3.500392       0.0550
-BFGSLineSearch:    6[  8] 00:02:13        3.499584       0.0392
+BFGSLineSearch:    0[  0] 20:48:36        3.580034       0.6521
+BFGSLineSearch:    1[  1] 20:48:36        3.544894       0.1627
+BFGSLineSearch:    2[  3] 20:48:36        3.516850       0.1946
+BFGSLineSearch:    3[  4] 20:48:36        3.508545       0.1325
+BFGSLineSearch:    4[  5] 20:48:36        3.503316       0.1022
+BFGSLineSearch:    5[  6] 20:48:36        3.500392       0.0550
+BFGSLineSearch:    6[  8] 20:48:36        3.499584       0.0392
                 Step[ FC]     Time          Energy          fmax
-BFGSLineSearch:    0[  0] 00:02:13        3.463634       0.5332
-BFGSLineSearch:    1[  2] 00:02:13        3.356702       0.4028
-BFGSLineSearch:    2[  3] 00:02:13        3.333298       0.1536
-BFGSLineSearch:    3[  4] 00:02:13        3.322604       0.1003
-BFGSLineSearch:    4[  5] 00:02:13        3.318477       0.0658
-BFGSLineSearch:    5[  6] 00:02:13        3.316534       0.0483
+BFGSLineSearch:    0[  0] 20:48:36        3.463634       0.5332
+BFGSLineSearch:    1[  2] 20:48:36        3.356702       0.4028
+BFGSLineSearch:    2[  3] 20:48:36        3.333298       0.1536
+BFGSLineSearch:    3[  4] 20:48:36        3.322604       0.1003
+BFGSLineSearch:    4[  5] 20:48:36        3.318477       0.0658
+BFGSLineSearch:    5[  6] 20:48:36        3.316534       0.0483
 ./doc/tutorials/constraints diffusion-path.png
 running: ./doc/tutorials/db/run.py
 Added 0 key-value pairs (0 pairs updated)
@@ -7108,579 +7143,580 @@
 Creating and evaluating generation 9
 Creating and evaluating generation 10
 Species: Cu, Pt
-References: 520
+References: 521
 0    Cu24          -0.000
 1    Pt24          -0.000
-2    Cu8Pt16       -1.490
-3    Cu4Pt20       -0.946
-4    Cu9Pt15       -1.885
-5    Cu7Pt17       -1.565
-6    Cu5Pt19       -1.300
-7    Cu2Pt22       -0.545
-8    Cu15Pt9       -1.753
-9    Cu18Pt6       -1.523
-10   Cu7Pt17       -1.467
-11   Cu16Pt8       -1.525
-12   Cu16Pt8       -1.566
-13   Cu19Pt5       -1.279
-14   Cu2Pt22       -0.501
-15   Cu22Pt2       -0.624
-16   Cu22Pt2       -0.615
-17   Cu3Pt21       -0.770
-18   Cu8Pt16       -1.199
-19   Cu15Pt9       -1.503
-20   Cu23Pt        -0.309
-21   Cu23Pt        -0.309
-22   Cu13Pt11      -1.987
-23   Cu18Pt6       -1.565
-24   Cu9Pt15       -1.560
-25   Cu13Pt11      -1.712
-26   Cu23Pt        -0.309
-27   Cu19Pt5       -1.437
-28   Cu11Pt13      -1.919
-29   Cu7Pt17       -1.624
-30   Cu22Pt2       -0.624
-31   Cu12Pt12      -1.993
-32   Cu16Pt8       -1.967
-33   Cu13Pt11      -1.870
-34   Cu2Pt22       -0.577
-35   Cu4Pt20       -0.967
-36   Cu22Pt2       -0.625
-37   Cu23Pt        -0.359
-38   Cu4Pt20       -0.649
-39   Cu22Pt2       -0.612
-40   Cu15Pt9       -1.659
-41   Cu19Pt5       -1.336
-42   Cu4Pt20       -0.762
-43   Cu17Pt7       -1.788
-44   Cu8Pt16       -1.552
-45   Cu3Pt21       -0.661
-46   Cu19Pt5       -0.967
-47   Cu5Pt19       -1.103
-48   Cu6Pt18       -0.810
-49   Cu5Pt19       -0.800
-50   Cu10Pt14      -1.514
-51   Cu18Pt6       -1.497
-52   CuPt23        -0.336
-53   Cu2Pt22       -0.570
-54   Cu17Pt7       -1.271
-55   Cu13Pt11      -1.323
-56   Cu5Pt19       -1.251
-57   Cu10Pt14      -1.901
-58   Cu2Pt22       -0.577
-59   CuPt23        -0.224
-60   Cu10Pt14      -1.785
-61   Cu18Pt6       -1.469
-62   Cu8Pt16       -1.255
-63   Cu13Pt11      -1.831
-64   Cu7Pt17       -1.300
-65   Cu21Pt3       -0.744
-66   Cu10Pt14      -1.897
-67   Cu9Pt15       -1.744
-68   CuPt23        -0.336
-69   Cu17Pt7       -1.719
-70   Cu20Pt4       -1.244
-71   Cu13Pt11      -1.799
-72   Cu4Pt20       -0.823
-73   Cu9Pt15       -1.499
-74   Cu15Pt9       -1.362
-75   Cu8Pt16       -1.449
-76   Cu20Pt4       -0.740
-77   Cu12Pt12      -1.554
-78   Cu18Pt6       -0.613
-79   Cu16Pt8       -1.404
-80   Cu2Pt22       -0.509
-81   Cu5Pt19       -1.130
-82   Cu11Pt13      -1.956
-83   Cu18Pt6       -1.600
-84   Cu11Pt13      -1.795
-85   Cu21Pt3       -0.823
-86   Cu8Pt16       -1.621
-87   Cu16Pt8       -1.726
-88   Cu18Pt6       -1.205
-89   Cu21Pt3       -0.981
-90   Cu7Pt17       -0.300
-91   Cu17Pt7       -1.706
-92   Cu19Pt5       -1.159
-93   Cu22Pt2       -0.565
-94   Cu20Pt4       -1.231
-95   Cu18Pt6       -1.424
-96   Cu13Pt11      -1.842
-97   Cu17Pt7       -1.426
-98   Cu13Pt11      -1.768
-99   Cu13Pt11      -1.539
-100  Cu19Pt5       -1.437
-101  Cu20Pt4       -1.173
-102  Cu14Pt10      -1.682
-103  Cu18Pt6       -1.138
-104  CuPt23        -0.336
-105  Cu2Pt22       -0.577
-106  Cu17Pt7       -1.611
-107  Cu13Pt11      -0.837
-108  Cu10Pt14      -2.039
-109  Cu19Pt5       -1.279
-110  Cu23Pt        -0.309
-111  Cu14Pt10      -1.580
-112  Cu17Pt7       -1.679
-113  Cu19Pt5       -1.454
-114  Cu22Pt2       -0.689
-115  Cu10Pt14      -1.714
-116  Cu11Pt13      -1.781
-117  Cu15Pt9       -1.511
-118  Cu12Pt12      -1.762
-119  Cu21Pt3       -0.753
-120  Cu9Pt15       -1.768
-121  Cu3Pt21       -0.660
-122  Cu21Pt3       -0.993
-123  Cu23Pt        -0.359
-124  Cu2Pt22       -0.577
-125  Cu13Pt11      -2.059
-126  Cu5Pt19       -0.951
-127  Cu11Pt13      -1.831
-128  Cu23Pt        -0.309
-129  Cu12Pt12      -2.155
-130  Cu17Pt7       -0.959
-131  Cu23Pt        -0.359
-132  Cu6Pt18       -1.501
-133  Cu10Pt14      -1.829
-134  Cu7Pt17       -1.168
-135  Cu7Pt17       -1.028
-136  Cu4Pt20       -1.063
-137  Cu17Pt7       -1.252
-138  Cu11Pt13      -1.460
-139  Cu2Pt22       -0.570
-140  Cu18Pt6       -1.547
-141  Cu18Pt6       -1.656
-142  Cu13Pt11      -1.790
-143  Cu14Pt10      -1.827
-144  Cu7Pt17       -1.672
-145  CuPt23        -0.336
-146  Cu20Pt4       -1.071
-147  Cu18Pt6       -1.433
-148  Cu23Pt        -0.359
-149  Cu14Pt10      -1.860
-150  Cu4Pt20       -0.975
-151  Cu8Pt16       -1.673
-152  Cu14Pt10      -1.972
-153  Cu4Pt20       -0.763
-154  Cu3Pt21       -0.559
-155  Cu14Pt10      -1.442
-156  Cu5Pt19       -1.106
-157  Cu13Pt11      -1.969
-158  Cu19Pt5       -0.851
-159  Cu7Pt17       -1.685
-160  Cu4Pt20       -0.988
-161  Cu16Pt8       -1.623
-162  Cu4Pt20       -0.903
-163  Cu9Pt15       -1.582
-164  Cu4Pt20       -1.135
-165  Cu13Pt11      -1.761
-166  Cu18Pt6       -1.658
-167  Cu20Pt4       -1.030
-168  Cu12Pt12      -0.956
-169  Cu6Pt18       -1.338
-170  Cu14Pt10      -1.166
-171  Cu20Pt4       -1.073
-172  Cu11Pt13      -1.473
-173  Cu4Pt20       -0.772
-174  Cu10Pt14      -1.866
-175  Cu10Pt14      -1.687
-176  Cu7Pt17       -1.654
-177  Cu22Pt2       -0.625
-178  Cu13Pt11      -1.813
-179  CuPt23        -0.224
-180  Cu12Pt12      -2.025
-181  Cu16Pt8       -1.995
-182  Cu5Pt19       -0.815
-183  Cu21Pt3       -0.890
-184  Cu3Pt21       -0.600
-185  Cu9Pt15       -0.880
-186  Cu13Pt11      -1.740
-187  Cu7Pt17       -1.569
-188  Cu9Pt15       -1.950
-189  Cu14Pt10      -1.510
-190  Cu18Pt6       -1.367
-191  Cu2Pt22       -0.381
-192  Cu10Pt14      -1.548
-193  Cu7Pt17       -1.686
-194  Cu12Pt12      -1.674
-195  Cu12Pt12      -1.864
-196  Cu10Pt14      -1.396
-197  Cu11Pt13      -1.724
-198  Cu21Pt3       -0.936
-199  Cu5Pt19       -1.244
-200  Cu5Pt19       -1.264
-201  Cu10Pt14      -1.275
-202  Cu15Pt9       -1.915
-203  Cu10Pt14      -1.853
-204  Cu4Pt20       -1.070
-205  Cu20Pt4       -1.028
-206  Cu19Pt5       -1.442
-207  Cu3Pt21       -0.781
-208  Cu8Pt16       -1.645
-209  Cu10Pt14      -1.608
-210  Cu11Pt13      -0.515
-211  Cu17Pt7       -1.624
-212  Cu17Pt7       -1.703
-213  Cu9Pt15       -1.528
-214  Cu4Pt20       -1.107
-215  Cu17Pt7       -1.586
-216  Cu10Pt14      -1.457
-217  Cu22Pt2       -0.560
-218  Cu10Pt14      -1.879
-219  Cu15Pt9       -2.039
-220  CuPt23        -0.224
-221  Cu22Pt2       -0.624
-222  Cu5Pt19       -1.292
-223  Cu21Pt3       -0.802
-224  Cu14Pt10      -1.792
-225  Cu10Pt14      -1.940
-226  Cu17Pt7       -1.562
-227  Cu4Pt20       -0.863
-228  Cu9Pt15       -1.810
-229  Cu15Pt9       -1.455
-230  Cu13Pt11      -1.135
-231  Cu10Pt14      -2.014
-232  Cu15Pt9       -0.962
-233  Cu17Pt7       -1.495
-234  Cu6Pt18       -0.991
-235  Cu8Pt16       -1.622
-236  Cu10Pt14      -1.944
-237  Cu11Pt13      -2.022
-238  Cu13Pt11      -2.161
-239  Cu11Pt13      -1.819
-240  Cu14Pt10      -1.930
-241  Cu16Pt8       -0.716
-242  Cu7Pt17       -1.686
-243  Cu18Pt6       -1.606
-244  Cu2Pt22       -0.565
-245  Cu17Pt7       -1.723
-246  Cu12Pt12      -1.836
-247  Cu8Pt16       -1.783
-248  Cu18Pt6       -1.499
-249  Cu7Pt17       -1.441
-250  Cu21Pt3       -0.977
-251  Cu10Pt14      -0.836
-252  Cu8Pt16       -1.733
-253  Cu16Pt8       -1.608
-254  Cu16Pt8       -1.619
-255  Cu16Pt8       -1.852
-256  Cu21Pt3       -1.020
-257  Cu6Pt18       -1.467
-258  Cu9Pt15       -1.269
-259  Cu14Pt10      -2.121
-260  Cu3Pt21       -0.946
-261  Cu9Pt15       -1.711
-262  Cu13Pt11      -1.192
-263  Cu8Pt16       -1.524
-264  Cu14Pt10      -1.721
-265  Cu6Pt18       -1.523
-266  Cu16Pt8       -1.804
-267  Cu15Pt9       -1.792
-268  Cu12Pt12      -2.055
-269  Cu4Pt20       -1.076
-270  Cu9Pt15       -1.444
-271  Cu9Pt15       -1.415
-272  Cu16Pt8       -1.798
-273  Cu7Pt17       -1.424
-274  Cu11Pt13      -2.069
-275  Cu20Pt4       -1.244
-276  Cu6Pt18       -1.288
-277  Cu3Pt21       -0.791
-278  Cu9Pt15       -1.438
-279  Cu5Pt19       -0.870
-280  Cu10Pt14      -1.949
-281  Cu10Pt14      -1.697
-282  Cu19Pt5       -1.443
-283  Cu6Pt18       -1.374
-284  Cu11Pt13      -1.882
-285  Cu22Pt2       -0.560
-286  Cu16Pt8       -1.907
-287  Cu19Pt5       -1.318
-288  Cu5Pt19       -1.244
-289  Cu10Pt14      -1.914
-290  Cu6Pt18       -1.222
-291  Cu8Pt16       -1.661
-292  Cu8Pt16       -1.749
-293  Cu11Pt13      -2.110
-294  Cu20Pt4       -1.114
-295  Cu9Pt15       -1.687
-296  Cu17Pt7       -1.518
-297  Cu11Pt13      -1.242
-298  Cu20Pt4       -1.147
-299  Cu4Pt20       -1.078
-300  Cu8Pt16       -0.891
-301  Cu13Pt11      -1.443
-302  Cu11Pt13      -1.906
-303  Cu18Pt6       -0.582
-304  Cu10Pt14      -1.671
-305  Cu14Pt10      -1.862
-306  Cu21Pt3       -0.784
-307  Cu19Pt5       -1.505
-308  Cu3Pt21       -0.946
-309  Cu14Pt10      -1.440
-310  Cu13Pt11      -1.617
-311  Cu7Pt17       -1.526
-312  Cu7Pt17       -1.643
-313  Cu11Pt13      -1.747
-314  Cu14Pt10      -2.117
-315  Cu20Pt4       -1.236
-316  Cu10Pt14      -1.626
-317  Cu13Pt11      -1.883
-318  Cu12Pt12      -0.985
-319  Cu5Pt19       -1.339
-320  Cu12Pt12      -0.826
-321  Cu10Pt14      -1.859
-322  Cu19Pt5       -1.360
-323  Cu6Pt18       -1.219
-324  Cu16Pt8       -1.604
-325  Cu16Pt8       -1.915
-326  Cu14Pt10      -2.131
-327  Cu6Pt18       -1.361
-328  Cu19Pt5       -1.484
-329  Cu23Pt        -0.309
-330  Cu6Pt18       -1.612
-331  Cu13Pt11      -1.455
-332  Cu18Pt6       -1.238
-333  Cu12Pt12      -1.691
-334  Cu4Pt20       -1.135
-335  Cu3Pt21       -0.894
-336  Cu11Pt13      -1.687
-337  Cu9Pt15       -1.883
-338  Cu10Pt14      -1.818
-339  Cu10Pt14      -1.842
-340  Cu9Pt15       -1.840
-341  Cu10Pt14      -1.438
-342  Cu23Pt        -0.309
-343  Cu10Pt14      -2.014
-344  Cu6Pt18       -1.386
-345  Cu15Pt9       -1.785
-346  Cu19Pt5       -1.372
-347  Cu17Pt7       -1.673
-348  Cu16Pt8       -1.767
-349  Cu14Pt10      -1.952
-350  Cu7Pt17       -1.714
-351  Cu13Pt11      -1.712
-352  Cu13Pt11      -2.262
-353  Cu19Pt5       -1.276
-354  Cu17Pt7       -1.476
-355  Cu9Pt15       -1.743
-356  Cu16Pt8       -1.934
-357  Cu4Pt20       -1.135
-358  Cu21Pt3       -0.802
-359  Cu15Pt9       -1.231
-360  Cu21Pt3       -0.935
-361  Cu18Pt6       -1.517
-362  Cu15Pt9       -1.397
-363  Cu15Pt9       -1.535
-364  Cu10Pt14      -1.790
-365  Cu19Pt5       -1.124
-366  Cu14Pt10      -1.724
-367  Cu10Pt14      -1.864
-368  Cu10Pt14      -1.939
-369  Cu7Pt17       -1.163
-370  Cu10Pt14      -1.916
-371  Cu13Pt11      -2.175
-372  Cu19Pt5       -1.166
-373  Cu5Pt19       -0.802
-374  CuPt23        -0.224
-375  Cu7Pt17       -1.586
-376  Cu7Pt17       -1.540
-377  Cu20Pt4       -1.231
-378  Cu6Pt18       -0.790
-379  Cu10Pt14      -1.976
-380  Cu17Pt7       -1.784
-381  Cu15Pt9       -1.937
-382  Cu9Pt15       -1.731
-383  Cu20Pt4       -1.068
+2    Cu8Pt16       -1.316
+3    Cu14Pt10      -1.741
+4    Cu12Pt12      -1.872
+5    Cu21Pt3       -0.981
+6    Cu17Pt7       -1.086
+7    Cu12Pt12      -1.635
+8    Cu18Pt6       -1.286
+9    Cu11Pt13      -1.898
+10   Cu20Pt4       -0.872
+11   Cu3Pt21       -0.850
+12   Cu17Pt7       -1.295
+13   Cu15Pt9       -1.375
+14   Cu22Pt2       -0.521
+15   Cu23Pt        -0.359
+16   Cu23Pt        -0.309
+17   Cu5Pt19       -0.799
+18   Cu20Pt4       -0.861
+19   Cu16Pt8       -1.523
+20   Cu21Pt3       -0.935
+21   Cu14Pt10      -1.912
+22   Cu19Pt5       -1.508
+23   Cu17Pt7       -1.037
+24   Cu13Pt11      -1.571
+25   Cu22Pt2       -0.560
+26   Cu9Pt15       -1.840
+27   Cu17Pt7       -1.729
+28   Cu9Pt15       -1.376
+29   Cu2Pt22       -0.501
+30   CuPt23        -0.336
+31   Cu20Pt4       -1.010
+32   Cu19Pt5       -1.049
+33   Cu17Pt7       -1.682
+34   Cu16Pt8       -2.041
+35   CuPt23        -0.224
+36   Cu15Pt9       -1.756
+37   Cu2Pt22       -0.340
+38   Cu5Pt19       -1.061
+39   Cu14Pt10      -1.949
+40   Cu4Pt20       -0.843
+41   Cu14Pt10      -2.125
+42   Cu6Pt18       -1.474
+43   Cu21Pt3       -0.732
+44   Cu13Pt11      -1.638
+45   Cu3Pt21       -0.742
+46   Cu17Pt7       -1.303
+47   Cu7Pt17       -1.246
+48   Cu14Pt10      -1.408
+49   Cu17Pt7       -1.760
+50   CuPt23        -0.336
+51   Cu7Pt17       -1.179
+52   Cu19Pt5       -1.389
+53   Cu13Pt11      -1.902
+54   Cu8Pt16       -1.316
+55   Cu12Pt12      -1.763
+56   Cu15Pt9       -1.174
+57   Cu11Pt13      -1.114
+58   Cu14Pt10      -2.092
+59   Cu11Pt13      -1.859
+60   Cu5Pt19       -1.245
+61   Cu14Pt10      -1.755
+62   Cu4Pt20       -0.762
+63   Cu17Pt7       -1.678
+64   Cu13Pt11      -0.776
+65   Cu16Pt8       -1.658
+66   Cu21Pt3       -0.868
+67   Cu6Pt18       -0.403
+68   Cu17Pt7       -1.635
+69   Cu15Pt9       -1.614
+70   Cu12Pt12      -1.841
+71   Cu17Pt7       -1.561
+72   Cu18Pt6       -0.827
+73   Cu21Pt3       -0.854
+74   Cu6Pt18       -1.062
+75   Cu14Pt10      -1.663
+76   Cu12Pt12      -1.475
+77   Cu3Pt21       -0.850
+78   Cu10Pt14      -1.952
+79   Cu20Pt4       -0.901
+80   Cu23Pt        -0.309
+81   Cu5Pt19       -1.050
+82   Cu4Pt20       -0.652
+83   Cu20Pt4       -1.135
+84   Cu11Pt13      -1.787
+85   Cu13Pt11      -1.782
+86   Cu13Pt11      -1.849
+87   Cu15Pt9       -1.510
+88   Cu16Pt8       -1.133
+89   Cu16Pt8       -1.791
+90   Cu19Pt5       -1.514
+91   Cu19Pt5       -1.235
+92   Cu5Pt19       -1.129
+93   Cu22Pt2       -0.615
+94   Cu14Pt10      -2.045
+95   Cu10Pt14      -0.992
+96   Cu16Pt8       -0.693
+97   Cu6Pt18       -0.881
+98   Cu13Pt11      -1.936
+99   Cu10Pt14      -1.335
+100  Pt24          -0.000
+101  Cu11Pt13      -0.962
+102  Cu5Pt19       -1.237
+103  Cu18Pt6       -1.322
+104  Cu6Pt18       -1.068
+105  Cu11Pt13      -1.755
+106  Cu21Pt3       -0.885
+107  Cu4Pt20       -0.656
+108  Cu8Pt16       -1.654
+109  Cu6Pt18       -0.932
+110  Cu11Pt13      -1.496
+111  Cu14Pt10      -1.931
+112  Cu2Pt22       -0.565
+113  CuPt23        -0.336
+114  Cu20Pt4       -1.267
+115  Cu5Pt19       -1.001
+116  Cu11Pt13      -1.666
+117  Cu21Pt3       -0.798
+118  Cu9Pt15       -1.642
+119  Cu8Pt16       -1.449
+120  Cu17Pt7       -0.945
+121  Cu11Pt13      -1.736
+122  Cu19Pt5       -1.164
+123  Cu13Pt11      -1.714
+124  Cu5Pt19       -1.236
+125  CuPt23        -0.336
+126  Cu16Pt8       -1.810
+127  Cu10Pt14      -1.892
+128  Cu11Pt13      -1.824
+129  Cu5Pt19       -0.811
+130  Cu14Pt10      -2.059
+131  Cu6Pt18       -1.329
+132  Cu9Pt15       -1.806
+133  Cu10Pt14      -1.963
+134  Cu14Pt10      -1.788
+135  Cu9Pt15       -1.139
+136  Cu12Pt12      -1.767
+137  Cu5Pt19       -1.040
+138  Cu9Pt15       -1.728
+139  Cu4Pt20       -0.881
+140  Cu4Pt20       -1.022
+141  Cu18Pt6       -1.575
+142  Cu8Pt16       -1.524
+143  Cu13Pt11      -1.884
+144  Cu23Pt        -0.309
+145  Cu14Pt10      -1.672
+146  Cu5Pt19       -1.124
+147  Cu15Pt9       -1.929
+148  Cu19Pt5       -1.316
+149  Cu17Pt7       -1.690
+150  Cu14Pt10      -1.735
+151  Cu16Pt8       -1.856
+152  Cu19Pt5       -1.240
+153  Cu18Pt6       -1.575
+154  Cu23Pt        -0.309
+155  Cu2Pt22       -0.577
+156  Cu8Pt16       -1.594
+157  Cu16Pt8       -1.512
+158  Cu20Pt4       -1.063
+159  Cu4Pt20       -0.798
+160  Cu14Pt10      -1.397
+161  Cu18Pt6       -1.175
+162  Cu14Pt10      -1.867
+163  Cu8Pt16       -1.771
+164  Cu3Pt21       -0.872
+165  Cu11Pt13      -1.909
+166  Cu2Pt22       -0.577
+167  Cu20Pt4       -0.993
+168  Cu13Pt11      -1.937
+169  Cu4Pt20       -1.015
+170  Cu20Pt4       -0.983
+171  Cu15Pt9       -1.790
+172  Cu6Pt18       -1.325
+173  Cu7Pt17       -1.139
+174  Cu15Pt9       -1.486
+175  Cu9Pt15       -1.545
+176  Cu13Pt11      -1.552
+177  Cu11Pt13      -1.980
+178  Cu15Pt9       -1.426
+179  Cu12Pt12      -1.779
+180  Cu10Pt14      -1.488
+181  Cu12Pt12      -2.008
+182  Cu18Pt6       -1.624
+183  Cu12Pt12      -1.113
+184  CuPt23        -0.224
+185  Cu12Pt12      -1.763
+186  CuPt23        -0.336
+187  Cu20Pt4       -1.267
+188  Cu17Pt7       -1.776
+189  Cu19Pt5       -1.389
+190  Cu19Pt5       -1.541
+191  Cu13Pt11      -1.898
+192  Cu5Pt19       -0.780
+193  Cu17Pt7       -1.741
+194  Cu17Pt7       -0.808
+195  Cu10Pt14      -1.601
+196  Cu3Pt21       -0.889
+197  Cu3Pt21       -0.872
+198  Cu3Pt21       -0.669
+199  Cu16Pt8       -1.811
+200  Cu18Pt6       -1.469
+201  Cu10Pt14      -1.789
+202  Cu16Pt8       -1.540
+203  Cu13Pt11      -1.721
+204  Cu7Pt17       -1.287
+205  Cu10Pt14      -1.900
+206  Cu10Pt14      -2.018
+207  Cu5Pt19       -1.242
+208  Cu8Pt16       -1.672
+209  Cu19Pt5       -1.404
+210  Cu9Pt15       -1.680
+211  Cu19Pt5       -1.512
+212  Cu16Pt8       -1.687
+213  Cu21Pt3       -0.784
+214  Cu11Pt13      -0.937
+215  Cu2Pt22       -0.449
+216  Cu10Pt14      -1.886
+217  Cu14Pt10      -1.780
+218  Cu19Pt5       -0.768
+219  Cu8Pt16       -1.757
+220  Cu14Pt10      -1.848
+221  Cu15Pt9       -1.826
+222  Cu14Pt10      -1.973
+223  Cu8Pt16       -1.483
+224  Cu12Pt12      -1.776
+225  Cu10Pt14      -1.938
+226  Cu17Pt7       -1.645
+227  Cu3Pt21       -0.607
+228  Cu16Pt8       -1.848
+229  Cu14Pt10      -1.988
+230  Cu7Pt17       -1.146
+231  Cu8Pt16       -1.654
+232  Cu16Pt8       -1.859
+233  Cu3Pt21       -0.791
+234  Cu11Pt13      -1.529
+235  Cu16Pt8       -1.321
+236  Cu9Pt15       -1.535
+237  Cu6Pt18       -1.255
+238  Cu12Pt12      -1.835
+239  Cu19Pt5       -1.541
+240  Cu21Pt3       -0.901
+241  Cu7Pt17       -1.450
+242  Cu8Pt16       -1.613
+243  Cu13Pt11      -1.949
+244  Cu11Pt13      -2.010
+245  Cu16Pt8       -1.907
+246  Cu5Pt19       -0.876
+247  Cu22Pt2       -0.615
+248  Cu12Pt12      -1.866
+249  Cu20Pt4       -1.113
+250  Cu17Pt7       -1.769
+251  Cu11Pt13      -1.760
+252  Cu20Pt4       -1.085
+253  Cu2Pt22       -0.565
+254  Cu13Pt11      -1.136
+255  Cu17Pt7       -1.578
+256  Cu8Pt16       -1.559
+257  Cu16Pt8       -1.642
+258  Cu5Pt19       -0.551
+259  Cu14Pt10      -1.849
+260  Cu14Pt10      -1.769
+261  Cu21Pt3       -0.791
+262  Cu9Pt15       -1.782
+263  Cu13Pt11      -1.632
+264  Cu11Pt13      -1.985
+265  Cu23Pt        -0.359
+266  Cu20Pt4       -1.224
+267  Cu14Pt10      -1.384
+268  Cu11Pt13      -1.199
+269  Cu19Pt5       -1.211
+270  Cu9Pt15       -1.748
+271  Cu19Pt5       -1.418
+272  Cu20Pt4       -1.081
+273  Cu10Pt14      -1.863
+274  Cu3Pt21       -0.809
+275  Cu8Pt16       -1.616
+276  Cu12Pt12      -1.773
+277  Cu3Pt21       -0.894
+278  Cu9Pt15       -1.228
+279  Cu10Pt14      -1.479
+280  Cu12Pt12      -2.077
+281  Cu12Pt12      -2.098
+282  Cu13Pt11      -1.878
+283  Cu3Pt21       -0.932
+284  Cu17Pt7       -1.823
+285  Cu7Pt17       -1.629
+286  Cu16Pt8       -1.824
+287  Cu5Pt19       -1.281
+288  Pt24          -0.000
+289  Cu8Pt16       -1.258
+290  Cu9Pt15       -1.846
+291  Cu9Pt15       -0.973
+292  Cu22Pt2       -0.689
+293  Cu21Pt3       -0.888
+294  Cu5Pt19       -1.208
+295  Cu15Pt9       -1.840
+296  Cu21Pt3       -0.904
+297  Cu12Pt12      -2.089
+298  Cu8Pt16       -1.708
+299  Cu8Pt16       -1.201
+300  Cu21Pt3       -0.641
+301  Cu7Pt17       -1.264
+302  Cu15Pt9       -1.386
+303  Cu12Pt12      -1.824
+304  Cu8Pt16       -1.328
+305  CuPt23        -0.224
+306  Cu17Pt7       -1.318
+307  Cu5Pt19       -1.229
+308  Cu8Pt16       -1.395
+309  Cu16Pt8       -1.692
+310  Cu15Pt9       -1.424
+311  Cu19Pt5       -1.095
+312  Cu15Pt9       -2.017
+313  Cu16Pt8       -1.987
+314  Cu5Pt19       -1.127
+315  Cu8Pt16       -1.563
+316  Cu11Pt13      -2.100
+317  Cu19Pt5       -1.277
+318  Cu3Pt21       -0.765
+319  Cu15Pt9       -1.474
+320  Cu8Pt16       -1.771
+321  Cu5Pt19       -1.194
+322  Cu4Pt20       -1.142
+323  Cu19Pt5       -1.207
+324  Cu2Pt22       -0.381
+325  Cu13Pt11      -0.413
+326  Cu12Pt12      -2.023
+327  Cu21Pt3       -0.751
+328  Cu4Pt20       -0.911
+329  Cu5Pt19       -1.071
+330  Cu9Pt15       -1.669
+331  Cu3Pt21       -0.684
+332  Cu6Pt18       -1.064
+333  Cu13Pt11      -1.806
+334  Cu7Pt17       -1.593
+335  Cu6Pt18       -1.384
+336  Cu7Pt17       -1.299
+337  Cu16Pt8       -1.805
+338  Cu16Pt8       -1.719
+339  Cu8Pt16       -1.373
+340  Cu20Pt4       -1.026
+341  Cu10Pt14      -1.816
+342  Cu21Pt3       -0.868
+343  Cu17Pt7       -1.809
+344  Cu11Pt13      -2.012
+345  Cu8Pt16       -1.361
+346  Cu5Pt19       -1.054
+347  Cu20Pt4       -0.983
+348  Cu14Pt10      -1.951
+349  Cu8Pt16       -1.468
+350  Cu6Pt18       -1.472
+351  Cu13Pt11      -1.912
+352  Cu21Pt3       -0.912
+353  Cu17Pt7       -1.516
+354  Cu15Pt9       -1.882
+355  Cu2Pt22       -0.381
+356  Cu14Pt10      -1.677
+357  Cu11Pt13      -1.512
+358  Cu2Pt22       -0.570
+359  Cu10Pt14      -1.592
+360  Cu22Pt2       -0.599
+361  Cu19Pt5       -1.374
+362  Cu15Pt9       -2.140
+363  Cu4Pt20       -1.112
+364  Cu8Pt16       -1.631
+365  Cu12Pt12      -1.949
+366  Cu2Pt22       -0.509
+367  Cu17Pt7       -1.191
+368  Cu14Pt10      -1.763
+369  Cu8Pt16       -1.127
+370  Cu21Pt3       -0.978
+371  Cu14Pt10      -1.833
+372  Cu7Pt17       -1.450
+373  Cu20Pt4       -1.180
+374  Cu23Pt        -0.309
+375  Cu11Pt13      -1.692
+376  Cu13Pt11      -1.995
+377  Cu6Pt18       -1.180
+378  Cu14Pt10      -1.150
+379  Cu16Pt8       -1.377
+380  Cu21Pt3       -0.966
+381  Cu6Pt18       -1.139
+382  Cu17Pt7       -1.620
+383  Cu13Pt11      -0.413
 384  Cu23Pt        -0.309
-385  Cu19Pt5       -1.240
-386  Cu19Pt5       -1.364
-387  Cu23Pt        -0.309
-388  Cu8Pt16       -1.599
-389  Cu12Pt12      -1.836
-390  Cu12Pt12      -1.532
-391  Cu9Pt15       -1.918
-392  Cu18Pt6       -1.704
-393  Cu19Pt5       -1.437
-394  Cu2Pt22       -0.570
-395  Cu8Pt16       -1.846
-396  Cu14Pt10      -2.118
-397  Cu17Pt7       -0.695
-398  Cu18Pt6       -1.681
-399  Cu9Pt15       -1.258
-400  Cu10Pt14      -1.948
-401  CuPt23        -0.224
-402  Cu22Pt2       -0.683
-403  Cu9Pt15       -1.901
-404  Cu7Pt17       -1.631
-405  Cu11Pt13      -1.988
-406  Cu18Pt6       -1.612
-407  Cu10Pt14      -1.878
-408  Cu11Pt13      -1.867
-409  Cu3Pt21       -0.946
-410  Cu17Pt7       -1.319
-411  Cu4Pt20       -1.151
-412  Cu14Pt10      -1.709
-413  Cu12Pt12      -1.260
-414  Cu14Pt10      -1.982
-415  Cu3Pt21       -0.742
-416  Cu8Pt16       -1.872
-417  Cu6Pt18       -1.276
-418  Cu3Pt21       -0.850
-419  Cu5Pt19       -1.294
-420  Cu19Pt5       -0.941
-421  Cu15Pt9       -1.976
-422  Cu6Pt18       -1.272
-423  Cu9Pt15       -1.316
-424  Cu12Pt12      -2.112
-425  Cu11Pt13      -1.842
-426  Cu3Pt21       -0.812
-427  Cu4Pt20       -1.113
-428  Cu5Pt19       -1.127
-429  Cu2Pt22       -0.340
-430  Cu14Pt10      -1.851
-431  Cu13Pt11      -1.193
-432  Cu2Pt22       -0.501
-433  Cu11Pt13      -1.650
-434  Cu11Pt13      -1.852
-435  Cu18Pt6       -1.519
-436  Cu21Pt3       -0.966
-437  Cu2Pt22       -0.577
-438  Cu16Pt8       -1.785
-439  Cu18Pt6       -1.101
-440  Cu18Pt6       -1.611
-441  Cu18Pt6       -1.705
-442  Cu6Pt18       -0.785
-443  Cu9Pt15       -1.846
-444  Cu11Pt13      -1.458
-445  Cu2Pt22       -0.577
-446  Cu23Pt        -0.309
-447  CuPt23        -0.336
-448  Cu3Pt21       -0.946
-449  Cu17Pt7       -1.799
-450  Cu21Pt3       -0.936
-451  Cu20Pt4       -1.023
-452  Cu5Pt19       -1.277
-453  Cu21Pt3       -0.895
-454  Cu11Pt13      -1.271
-455  Cu14Pt10      -1.763
-456  Cu15Pt9       -1.858
-457  Cu18Pt6       -1.681
-458  Cu23Pt        -0.309
-459  Cu5Pt19       -1.092
-460  Cu4Pt20       -0.995
-461  Cu12Pt12      -1.835
-462  Cu16Pt8       -1.809
-463  Cu8Pt16       -1.809
-464  Cu13Pt11      -1.770
-465  Cu22Pt2       -0.626
-466  Cu9Pt15       -1.734
-467  Cu13Pt11      -1.828
-468  Cu18Pt6       -1.643
-469  Cu14Pt10      -2.087
-470  Cu3Pt21       -0.946
-471  Cu11Pt13      -1.965
-472  Cu12Pt12      -1.924
-473  Cu17Pt7       -1.818
-474  Cu21Pt3       -0.890
-475  Cu22Pt2       -0.676
-476  Cu9Pt15       -1.294
-477  Cu21Pt3       -1.060
-478  Cu10Pt14      -1.891
-479  Cu11Pt13      -2.014
-480  Cu10Pt14      -1.905
-481  Cu2Pt22       -0.577
-482  Cu23Pt        -0.359
-483  Cu6Pt18       -1.154
-484  CuPt23        -0.336
-485  Cu7Pt17       -1.466
-486  Cu21Pt3       -0.877
-487  Cu11Pt13      -1.946
-488  Cu4Pt20       -1.126
-489  Cu15Pt9       -1.911
-490  Cu11Pt13      -1.982
-491  Cu4Pt20       -0.991
-492  Cu7Pt17       -1.560
-493  Cu4Pt20       -0.967
-494  Cu18Pt6       -1.602
-495  Cu20Pt4       -1.094
-496  Cu16Pt8       -1.083
-497  Cu9Pt15       -1.768
-498  Cu13Pt11      -0.815
-499  Cu13Pt11      -1.762
-500  CuPt23        -0.224
-501  Cu11Pt13      -1.980
-502  Cu3Pt21       -0.946
-503  Cu7Pt17       -1.635
-504  Cu11Pt13      -2.079
-505  Cu6Pt18       -1.508
-506  Cu2Pt22       -0.577
-507  Cu12Pt12      -1.977
-508  Cu13Pt11      -1.868
-509  Cu3Pt21       -0.736
-510  Cu21Pt3       -0.993
-511  Cu8Pt16       -1.903
-512  Cu9Pt15       -1.838
-513  Cu14Pt10      -2.166
-514  Cu13Pt11      -2.145
-515  Cu23Pt        -0.309
-516  Cu14Pt10      -0.788
-517  Cu11Pt13      -2.016
-518  Cu13Pt11      -1.993
-519  Cu9Pt15       -1.238
-Simplices: 11
+385  Cu10Pt14      -1.597
+386  Cu16Pt8       -1.736
+387  Cu11Pt13      -1.974
+388  Cu9Pt15       -1.046
+389  Cu5Pt19       -1.252
+390  Cu9Pt15       -1.710
+391  Cu11Pt13      -1.550
+392  CuPt23        -0.224
+393  Cu4Pt20       -0.986
+394  Cu17Pt7       -1.477
+395  Cu4Pt20       -1.008
+396  Cu5Pt19       -0.865
+397  Cu23Pt        -0.309
+398  Cu5Pt19       -0.675
+399  Cu15Pt9       -1.796
+400  Cu10Pt14      -1.536
+401  Cu15Pt9       -1.646
+402  Cu3Pt21       -0.727
+403  Cu8Pt16       -1.545
+404  Cu15Pt9       -2.057
+405  Cu15Pt9       -1.818
+406  Cu10Pt14      -1.601
+407  Cu17Pt7       -1.646
+408  Cu8Pt16       -1.579
+409  Cu6Pt18       -0.782
+410  Cu8Pt16       -0.935
+411  Cu7Pt17       -1.428
+412  Cu4Pt20       -1.112
+413  Cu12Pt12      -2.072
+414  Cu3Pt21       -0.894
+415  Cu12Pt12      -1.949
+416  Cu6Pt18       -1.077
+417  Cu7Pt17       -1.634
+418  Cu18Pt6       -1.310
+419  Cu11Pt13      -0.363
+420  Cu14Pt10      -1.909
+421  Cu5Pt19       -1.221
+422  Cu18Pt6       -1.009
+423  Cu19Pt5       -1.398
+424  Cu21Pt3       -0.851
+425  Cu12Pt12      -1.289
+426  Cu7Pt17       -1.506
+427  Cu17Pt7       -1.707
+428  Cu6Pt18       -1.098
+429  Cu14Pt10      -1.921
+430  Cu12Pt12      -2.079
+431  Cu12Pt12      -1.843
+432  Cu14Pt10      -2.043
+433  Cu7Pt17       -1.523
+434  Cu3Pt21       -0.876
+435  Cu18Pt6       -1.606
+436  Cu15Pt9       -2.035
+437  Cu15Pt9       -1.727
+438  Cu5Pt19       -1.081
+439  Cu2Pt22       -0.577
+440  Cu9Pt15       -1.912
+441  CuPt23        -0.224
+442  Cu6Pt18       -1.437
+443  Cu21Pt3       -0.978
+444  Cu9Pt15       -1.571
+445  Cu13Pt11      -1.769
+446  Cu10Pt14      -1.595
+447  Cu15Pt9       -1.869
+448  Cu14Pt10      -1.918
+449  Cu13Pt11      -2.183
+450  Cu8Pt16       -1.291
+451  Cu8Pt16       -1.776
+452  Cu21Pt3       -0.970
+453  CuPt23        -0.224
+454  Cu12Pt12      -1.009
+455  Cu11Pt13      -2.059
+456  Cu19Pt5       -1.338
+457  Cu10Pt14      -1.895
+458  Cu16Pt8       -1.555
+459  Cu17Pt7       -1.784
+460  Cu6Pt18       -1.309
+461  Cu6Pt18       -0.627
+462  Cu7Pt17       -1.327
+463  Cu17Pt7       -1.621
+464  Cu11Pt13      -1.837
+465  Cu12Pt12      -1.633
+466  Cu14Pt10      -1.237
+467  Cu3Pt21       -0.721
+468  Cu10Pt14      -1.870
+469  Cu5Pt19       -1.310
+470  Cu13Pt11      -1.815
+471  Cu5Pt19       -0.949
+472  Cu16Pt8       -1.617
+473  Cu22Pt2       -0.521
+474  Cu14Pt10      -1.006
+475  Cu16Pt8       -1.837
+476  Cu16Pt8       -1.719
+477  Cu13Pt11      -1.132
+478  Cu5Pt19       -1.122
+479  Cu20Pt4       -1.235
+480  Cu8Pt16       -1.661
+481  Cu5Pt19       -1.158
+482  Cu12Pt12      -1.821
+483  Cu16Pt8       -0.807
+484  Cu2Pt22       -0.545
+485  Cu13Pt11      -1.549
+486  Cu11Pt13      -0.772
+487  Cu11Pt13      -2.030
+488  Cu7Pt17       -1.590
+489  Cu7Pt17       -1.385
+490  Cu15Pt9       -1.259
+491  Cu10Pt14      -1.836
+492  Cu11Pt13      -1.705
+493  Cu16Pt8       -1.924
+494  Cu14Pt10      -1.422
+495  Cu19Pt5       -1.275
+496  Cu6Pt18       -1.358
+497  Cu3Pt21       -0.746
+498  Cu7Pt17       -1.527
+499  Cu18Pt6       -1.083
+500  Cu8Pt16       -1.194
+501  Cu14Pt10      -2.107
+502  Cu9Pt15       -1.338
+503  Cu15Pt9       -1.423
+504  Cu14Pt10      -1.317
+505  Cu14Pt10      -1.944
+506  Cu8Pt16       -1.723
+507  Cu6Pt18       -1.256
+508  Cu20Pt4       -0.935
+509  CuPt23        -0.336
+510  Cu16Pt8       -2.073
+511  Cu9Pt15       -1.912
+512  CuPt23        -0.224
+513  Cu11Pt13      -2.129
+514  Cu15Pt9       -1.694
+515  Cu10Pt14      -1.372
+516  Cu3Pt21       -0.876
+517  Cu5Pt19       -1.242
+518  Cu13Pt11      -1.557
+519  Cu22Pt2       -0.560
+520  Cu16Pt8       -1.881
+Simplices: 18
 ./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] 00:03:11        3.323870       0.2462
-BFGSLineSearch:    1[  1] 00:03:11        3.314754       0.0378
+BFGSLineSearch:    0[  0] 20:51:59        3.323870       0.2462
+BFGSLineSearch:    1[  1] 20:51:59        3.314754       0.0378
                 Step[ FC]     Time          Energy          fmax
-BFGSLineSearch:    0[  0] 00:03:11        3.320051       0.1208
-BFGSLineSearch:    1[  1] 00:03:11        3.316117       0.0474
+BFGSLineSearch:    0[  0] 20:51:59        3.320051       0.1208
+BFGSLineSearch:    1[  1] 20:51:59        3.316117       0.0474
       Step     Time          Energy          fmax
-BFGS:    0 00:03:11        4.219952        3.520752
-BFGS:    1 00:03:11        3.937039        2.176459
-BFGS:    2 00:03:11        3.719814        0.435144
-BFGS:    3 00:03:11        3.709652        0.230130
-BFGS:    4 00:03:11        3.708879        0.244129
-BFGS:    5 00:03:11        3.706088        0.257744
-BFGS:    6 00:03:11        3.698532        0.213396
-BFGS:    7 00:03:11        3.692121        0.246181
-BFGS:    8 00:03:12        3.692274        0.187321
-BFGS:    9 00:03:12        3.693484        0.172736
-BFGS:   10 00:03:12        3.692659        0.151427
-BFGS:   11 00:03:12        3.690809        0.073608
-BFGS:   12 00:03:12        3.690202        0.070785
-BFGS:   13 00:03:12        3.690382        0.078195
-BFGS:   14 00:03:12        3.690426        0.103450
-BFGS:   15 00:03:12        3.689890        0.099762
-BFGS:   16 00:03:12        3.689029        0.054308
-BFGS:   17 00:03:12        3.688737        0.028916
+BFGS:    0 20:51:59        4.219952        3.520752
+BFGS:    1 20:51:59        3.937039        2.176459
+BFGS:    2 20:51:59        3.719814        0.435144
+BFGS:    3 20:51:59        3.709652        0.230130
+BFGS:    4 20:51:59        3.708879        0.244129
+BFGS:    5 20:51:59        3.706088        0.257744
+BFGS:    6 20:51:59        3.698532        0.213396
+BFGS:    7 20:52:00        3.692121        0.246181
+BFGS:    8 20:52:00        3.692274        0.187321
+BFGS:    9 20:52:00        3.693484        0.172736
+BFGS:   10 20:52:00        3.692659        0.151427
+BFGS:   11 20:52:00        3.690809        0.073608
+BFGS:   12 20:52:00        3.690202        0.070785
+BFGS:   13 20:52:00        3.690382        0.078195
+BFGS:   14 20:52:00        3.690426        0.103450
+BFGS:   15 20:52:00        3.689890        0.099762
+BFGS:   16 20:52:00        3.689029        0.054308
+BFGS:   17 20:52:00        3.688737        0.028916
       Step     Time          Energy          fmax
-BFGS:    0 00:03:12        3.688737        0.028916
-BFGS:    1 00:03:12        3.688734        0.026509
-BFGS:    2 00:03:12        3.688730        0.023976
-BFGS:    3 00:03:12        3.688729        0.023898
-BFGS:    4 00:03:12        3.688718        0.012188
-BFGS:    5 00:03:12        3.688718        0.008625
-BFGS:    6 00:03:12        3.688718        0.009485
-BFGS:    7 00:03:12        3.688718        0.009737
-BFGS:    8 00:03:12        3.688716        0.009698
-BFGS:    9 00:03:12        3.688714        0.008666
-BFGS:   10 00:03:12        3.688714        0.006195
-BFGS:   11 00:03:12        3.688714        0.005328
-BFGS:   12 00:03:12        3.688714        0.005264
-BFGS:   13 00:03:13        3.688714        0.006633
-BFGS:   14 00:03:13        3.688715        0.008844
-BFGS:   15 00:03:13        3.688723        0.010877
-BFGS:   16 00:03:13        3.688733        0.015712
-BFGS:   17 00:03:13        3.688732        0.015288
-BFGS:   18 00:03:13        3.688722        0.010019
-BFGS:   19 00:03:13        3.688716        0.005032
-BFGS:   20 00:03:13        3.688716        0.003424
+BFGS:    0 20:52:00        3.688737        0.028916
+BFGS:    1 20:52:01        3.688734        0.026509
+BFGS:    2 20:52:01        3.688730        0.023976
+BFGS:    3 20:52:01        3.688729        0.023898
+BFGS:    4 20:52:01        3.688718        0.012188
+BFGS:    5 20:52:01        3.688718        0.008625
+BFGS:    6 20:52:01        3.688718        0.009485
+BFGS:    7 20:52:01        3.688718        0.009737
+BFGS:    8 20:52:01        3.688716        0.009698
+BFGS:    9 20:52:01        3.688714        0.008666
+BFGS:   10 20:52:01        3.688714        0.006195
+BFGS:   11 20:52:01        3.688714        0.005328
+BFGS:   12 20:52:01        3.688714        0.005264
+BFGS:   13 20:52:01        3.688714        0.006633
+BFGS:   14 20:52:01        3.688715        0.008844
+BFGS:   15 20:52:02        3.688723        0.010877
+BFGS:   16 20:52:02        3.688733        0.015712
+BFGS:   17 20:52:02        3.688732        0.015288
+BFGS:   18 20:52:02        3.688722        0.010019
+BFGS:   19 20:52:02        3.688716        0.005032
+BFGS:   20 20:52:02        3.688716        0.003424
 ./doc/tutorials/neb diffusion-I.png
 ./doc/tutorials/neb diffusion-T.png
 ./doc/tutorials/neb diffusion-F.png
@@ -7692,7 +7728,7 @@
 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 <class 'requests.exceptions.ConnectionError'>: HTTPSConnectionPool(host='gpaw.readthedocs.io', port=443): Max retries exceeded with url: /objects.inv (Caused by NameResolutionError("<urllib3.connection.HTTPSConnection object at 0x7f5f325056a0>: 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 <class 'requests.exceptions.ConnectionError'>: HTTPSConnectionPool(host='gpaw.readthedocs.io', port=443): Max retries exceeded with url: /objects.inv (Caused by NameResolutionError("<urllib3.connection.HTTPSConnection object at 0x7fd2e93496a0>: 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
@@ -7942,9 +7978,9 @@
 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/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/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/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... 
@@ -8534,17 +8570,17 @@
    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/fr/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/zh_CN/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/de/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/gl/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/fr/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/es/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/zh_CN/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/ru/LC_MESSAGES/ag.mo
+	Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/da/LC_MESSAGES/ag.mo
    dh_compress -O--buildsystem=pybuild
    dh_fixperms -O--buildsystem=pybuild
    dh_missing -O--buildsystem=pybuild
@@ -8552,8 +8588,8 @@
    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 'python3-ase' in '../python3-ase_3.24.0-1_all.deb'.
+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-genbuildinfo --build=binary -O../python-ase_3.24.0-1_amd64.buildinfo
  dpkg-genchanges --build=binary -O../python-ase_3.24.0-1_amd64.changes
@@ -8562,12 +8598,14 @@
 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/3508576/tmp/hooks/B01_cleanup starting
+I: user script /srv/workspace/pbuilder/3508576/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/856676 and its subdirectories
-I: Current time: Fri Apr 10 00:04:13 -12 2026
-I: pbuilder-time-stamp: 1775822653
+I: removing directory /srv/workspace/pbuilder/3508576 and its subdirectories
+I: Current time: Sat Mar  8 20:54:34 +14 2025
+I: pbuilder-time-stamp: 1741416874