Mock Version: 3.1
ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bs  --target x86_64 --nodeps /builddir/build/SPECS/python-ase.spec'], chrootPath='/var/lib/mock/fedora-rawhide-x86_64-1660641408.366038/root'env={'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;<mock-chroot>\\007"', 'PS1': '<mock-chroot> \\s-\\v\\$ ', 'LANG': 'C.UTF-8'}shell=Falselogger=<mockbuild.trace_decorator.getLog object at 0x7fac240d3250>timeout=0uid=1000gid=135user='mockbuild'nspawn_args=['--capability=cap_ipc_lock', '--rlimit=RLIMIT_NOFILE=10240', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.ii6lyjgy:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11']unshare_net=FalseprintOutput=True)
Using nspawn with args ['--capability=cap_ipc_lock', '--rlimit=RLIMIT_NOFILE=10240', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.ii6lyjgy:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11']
Executing command: ['/usr/bin/systemd-nspawn', '-q', '-M', 'd779e310136d410194e17666335e862b', '-D', '/var/lib/mock/fedora-rawhide-x86_64-1660641408.366038/root', '-a', '-u', 'mockbuild', '--capability=cap_ipc_lock', '--rlimit=RLIMIT_NOFILE=10240', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.ii6lyjgy:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11', '--console=pipe', '--setenv=TERM=vt100', '--setenv=SHELL=/bin/bash', '--setenv=HOME=/builddir', '--setenv=HOSTNAME=mock', '--setenv=PATH=/usr/bin:/bin:/usr/sbin:/sbin', '--setenv=PROMPT_COMMAND=printf "\\033]0;<mock-chroot>\\007"', '--setenv=PS1=<mock-chroot> \\s-\\v\\$ ', '--setenv=LANG=C.UTF-8', '--resolv-conf=off', 'bash', '--login', '-c', '/usr/bin/rpmbuild -bs  --target x86_64 --nodeps /builddir/build/SPECS/python-ase.spec'] with env {'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;<mock-chroot>\\007"', 'PS1': '<mock-chroot> \\s-\\v\\$ ', 'LANG': 'C.UTF-8', 'SYSTEMD_NSPAWN_TMPFS_TMP': '0', 'SYSTEMD_SECCOMP': '0'} and shell False
Building target platforms: x86_64
Building for target x86_64
setting SOURCE_DATE_EPOCH=1658448000
Wrote: /builddir/build/SRPMS/python-ase-3.22.1-4.fc38.src.rpm
Child return code was: 0
ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bb --target x86_64 --nodeps /builddir/build/SPECS/python-ase.spec'], chrootPath='/var/lib/mock/fedora-rawhide-x86_64-1660641408.366038/root'env={'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;<mock-chroot>\\007"', 'PS1': '<mock-chroot> \\s-\\v\\$ ', 'LANG': 'C.UTF-8'}shell=Falselogger=<mockbuild.trace_decorator.getLog object at 0x7fac240d3250>timeout=0uid=1000gid=135user='mockbuild'nspawn_args=['--capability=cap_ipc_lock', '--rlimit=RLIMIT_NOFILE=10240', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.ii6lyjgy:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11']unshare_net=FalseprintOutput=True)
Using nspawn with args ['--capability=cap_ipc_lock', '--rlimit=RLIMIT_NOFILE=10240', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.ii6lyjgy:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11']
Executing command: ['/usr/bin/systemd-nspawn', '-q', '-M', '719aebc0440f480ba6b52179239c310e', '-D', '/var/lib/mock/fedora-rawhide-x86_64-1660641408.366038/root', '-a', '-u', 'mockbuild', '--capability=cap_ipc_lock', '--rlimit=RLIMIT_NOFILE=10240', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv.ii6lyjgy:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11', '--console=pipe', '--setenv=TERM=vt100', '--setenv=SHELL=/bin/bash', '--setenv=HOME=/builddir', '--setenv=HOSTNAME=mock', '--setenv=PATH=/usr/bin:/bin:/usr/sbin:/sbin', '--setenv=PROMPT_COMMAND=printf "\\033]0;<mock-chroot>\\007"', '--setenv=PS1=<mock-chroot> \\s-\\v\\$ ', '--setenv=LANG=C.UTF-8', '--resolv-conf=off', 'bash', '--login', '-c', '/usr/bin/rpmbuild -bb --target x86_64 --nodeps /builddir/build/SPECS/python-ase.spec'] with env {'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;<mock-chroot>\\007"', 'PS1': '<mock-chroot> \\s-\\v\\$ ', 'LANG': 'C.UTF-8', 'SYSTEMD_NSPAWN_TMPFS_TMP': '0', 'SYSTEMD_SECCOMP': '0'} and shell False
Building target platforms: x86_64
Building for target x86_64
setting SOURCE_DATE_EPOCH=1658448000
Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.4smQ1u
+ umask 022
+ cd /builddir/build/BUILD
+ cd /builddir/build/BUILD
+ rm -rf ase-3.22.1
+ /usr/lib/rpm/rpmuncompress -x /builddir/build/SOURCES/ase-3.22.1.tar.gz
+ STATUS=0
+ '[' 0 -ne 0 ']'
+ cd ase-3.22.1
+ /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w .
+ rm -f ase/test/constraints/test_fixinternals.py
+ rm -f ase/test/calculator/dftb/test_dftb_bandstructure.py
+ rm -f ase/test/calculator/openmx/test_md.py
+ rm -f ase/test/calculator/openmx/test_version.py
+ rm -f ase/test/fio/test_openmx.py
+ rm -f ase/test/test_units.py
+ cp -p doc/static/ase256.png ase.png
+ cp -p doc/ase-gui.desktop ase-gui.desktop
+ rm -rf doc
+ find . -name '*.py'
+ xargs sed -i '1s|^#!python|#!/usr/bin/python3|'
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%build): /bin/sh -e /var/tmp/rpm-tmp.JSZeQ5
+ umask 022
+ cd /builddir/build/BUILD
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64  -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection'
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64  -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection'
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64  -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules'
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64  -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules'
+ export FCFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -Wl,-dT,/builddir/build/BUILD/ase-3.22.1/.package_note-python-ase-3.22.1-4.fc38.x86_64.ld'
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ '[' -f /usr/lib/rpm/generate-rpm-note.sh ']'
+ /usr/lib/rpm/generate-rpm-note.sh python-ase 3.22.1-4.fc38 x86_64
+ cd ase-3.22.1
+ /usr/bin/python3 setup.py build
running build
running build_py
creating build
creating build/lib
creating build/lib/ase
copying ase/__init__.py -> build/lib/ase
copying ase/__main__.py -> build/lib/ase
copying ase/atom.py -> build/lib/ase
copying ase/atoms.py -> build/lib/ase
copying ase/autoneb.py -> build/lib/ase
copying ase/cell.py -> build/lib/ase
copying ase/constraints.py -> build/lib/ase
copying ase/dependencies.py -> build/lib/ase
copying ase/dimer.py -> build/lib/ase
copying ase/dyneb.py -> build/lib/ase
copying ase/eos.py -> build/lib/ase
copying ase/formula.py -> build/lib/ase
copying ase/neb.py -> build/lib/ase
copying ase/neighborlist.py -> build/lib/ase
copying ase/nomad.py -> build/lib/ase
copying ase/outputs.py -> build/lib/ase
copying ase/parallel.py -> build/lib/ase
copying ase/phasediagram.py -> build/lib/ase
copying ase/phonons.py -> build/lib/ase
copying ase/quaternions.py -> build/lib/ase
copying ase/stress.py -> build/lib/ase
copying ase/structure.py -> build/lib/ase
copying ase/symbols.py -> build/lib/ase
copying ase/thermochemistry.py -> build/lib/ase
copying ase/units.py -> build/lib/ase
creating build/lib/ase/visualize
copying ase/visualize/__init__.py -> build/lib/ase/visualize
copying ase/visualize/external.py -> build/lib/ase/visualize
copying ase/visualize/mlab.py -> build/lib/ase/visualize
copying ase/visualize/ngl.py -> build/lib/ase/visualize
copying ase/visualize/paraview_script.py -> build/lib/ase/visualize
copying ase/visualize/plot.py -> build/lib/ase/visualize
copying ase/visualize/sage.py -> build/lib/ase/visualize
copying ase/visualize/x3d.py -> build/lib/ase/visualize
creating build/lib/ase/vibrations
copying ase/vibrations/__init__.py -> 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/franck_condon.py -> build/lib/ase/vibrations
copying ase/vibrations/infrared.py -> build/lib/ase/vibrations
copying ase/vibrations/pickle2json.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/resonant_raman.py -> build/lib/ase/vibrations
copying ase/vibrations/vibrations.py -> build/lib/ase/vibrations
creating build/lib/ase/utils
copying ase/utils/__init__.py -> build/lib/ase/utils
copying ase/utils/arraywrapper.py -> build/lib/ase/utils
copying ase/utils/bee.py -> build/lib/ase/utils
copying ase/utils/build_web_page.py -> build/lib/ase/utils
copying ase/utils/cext.py -> build/lib/ase/utils
copying ase/utils/deltacodesdft.py -> build/lib/ase/utils
copying ase/utils/distance.py -> build/lib/ase/utils
copying ase/utils/eos.py -> build/lib/ase/utils
copying ase/utils/extrapolate.py -> build/lib/ase/utils
copying ase/utils/ff.py -> build/lib/ase/utils
copying ase/utils/filecache.py -> build/lib/ase/utils
copying ase/utils/forcecurve.py -> build/lib/ase/utils
copying ase/utils/geometry.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/newrelease.py -> build/lib/ase/utils
copying ase/utils/parsemath.py -> build/lib/ase/utils
copying ase/utils/plotting.py -> build/lib/ase/utils
copying ase/utils/sphinx.py -> build/lib/ase/utils
copying ase/utils/structure_comparator.py -> build/lib/ase/utils
copying ase/utils/timing.py -> build/lib/ase/utils
copying ase/utils/xrdebye.py -> build/lib/ase/utils
creating build/lib/ase/transport
copying ase/transport/__init__.py -> build/lib/ase/transport
copying ase/transport/calculators.py -> build/lib/ase/transport
copying ase/transport/greenfunction.py -> build/lib/ase/transport
copying ase/transport/selfenergy.py -> build/lib/ase/transport
copying ase/transport/stm.py -> build/lib/ase/transport
copying ase/transport/tools.py -> build/lib/ase/transport
creating build/lib/ase/test
copying ase/test/__init__.py -> build/lib/ase/test
copying ase/test/conftest.py -> build/lib/ase/test
copying ase/test/factories.py -> build/lib/ase/test
copying ase/test/test_analysis.py -> build/lib/ase/test
copying ase/test/test_bader.py -> build/lib/ase/test
copying ase/test/test_bandgap.py -> build/lib/ase/test
copying ase/test/test_bandpath_kpts_axis.py -> build/lib/ase/test
copying ase/test/test_basin.py -> build/lib/ase/test
copying ase/test/test_calc_outputs_big.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/test_calculator_label.py -> build/lib/ase/test
copying ase/test/test_checkpoint.py -> build/lib/ase/test
copying ase/test/test_cluster.py -> build/lib/ase/test
copying ase/test/test_cutoffs.py -> build/lib/ase/test
copying ase/test/test_diffusion_coefficient.py -> build/lib/ase/test
copying ase/test/test_dimensionality.py -> build/lib/ase/test
copying ase/test/test_dimer.py -> build/lib/ase/test
copying ase/test/test_dimer_method.py -> build/lib/ase/test
copying ase/test/test_distance.py -> build/lib/ase/test
copying ase/test/test_distmom.py -> build/lib/ase/test
copying ase/test/test_doctests.py -> build/lib/ase/test
copying ase/test/test_dos.py -> build/lib/ase/test
copying ase/test/test_eam.py -> build/lib/ase/test
copying ase/test/test_eam_run.py -> build/lib/ase/test
copying ase/test/test_eos.py -> build/lib/ase/test
copying ase/test/test_example.py -> build/lib/ase/test
copying ase/test/test_external_viewer.py -> build/lib/ase/test
copying ase/test/test_filecache.py -> build/lib/ase/test
copying ase/test/test_forcecurve.py -> build/lib/ase/test
copying ase/test/test_formula.py -> build/lib/ase/test
copying ase/test/test_geometry.py -> build/lib/ase/test
copying ase/test/test_geometry_derivatives.py -> build/lib/ase/test
copying ase/test/test_hcp.py -> build/lib/ase/test
copying ase/test/test_imports.py -> build/lib/ase/test
copying ase/test/test_isotopes.py -> build/lib/ase/test
copying ase/test/test_issue276.py -> build/lib/ase/test
copying ase/test/test_kpts.py -> build/lib/ase/test
copying ase/test/test_kpts2kpts.py -> build/lib/ase/test
copying ase/test/test_lattice_lindep.py -> build/lib/ase/test
copying ase/test/test_linesearch_maxstep.py -> build/lib/ase/test
copying ase/test/test_lock.py -> build/lib/ase/test
copying ase/test/test_loggingcalc.py -> build/lib/ase/test
copying ase/test/test_makebandpath.py -> build/lib/ase/test
copying ase/test/test_matplotlib_plot.py -> build/lib/ase/test
copying ase/test/test_minimum_image_convention.py -> build/lib/ase/test
copying ase/test/test_mixingcalc.py -> build/lib/ase/test
copying ase/test/test_mpi.py -> build/lib/ase/test
copying ase/test/test_noncollinear.py -> build/lib/ase/test
copying ase/test/test_nwchem_writer.py -> build/lib/ase/test
copying ase/test/test_parsemath.py -> build/lib/ase/test
copying ase/test/test_pathlib_support.py -> build/lib/ase/test
copying ase/test/test_phasediagram.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_properties.py -> build/lib/ase/test
copying ase/test/test_pubchem.py -> build/lib/ase/test
copying ase/test/test_quaternions.py -> build/lib/ase/test
copying ase/test/test_root_surf.py -> build/lib/ase/test
copying ase/test/test_s22.py -> build/lib/ase/test
copying ase/test/test_singlepoint_dft_calc.py -> build/lib/ase/test
copying ase/test/test_singlepointcalc.py -> build/lib/ase/test
copying ase/test/test_springcalc.py -> build/lib/ase/test
copying ase/test/test_stm.py -> build/lib/ase/test
copying ase/test/test_stress.py -> build/lib/ase/test
copying ase/test/test_structure_comparator.py -> build/lib/ase/test
copying ase/test/test_symbols.py -> build/lib/ase/test
copying ase/test/test_thermochemistry.py -> build/lib/ase/test
copying ase/test/test_things.py -> build/lib/ase/test
copying ase/test/test_timing.py -> build/lib/ase/test
copying ase/test/test_util.py -> build/lib/ase/test
copying ase/test/test_wannier.py -> build/lib/ase/test
copying ase/test/test_x3d.py -> build/lib/ase/test
copying ase/test/test_xrdebye.py -> build/lib/ase/test
copying ase/test/test_xwopen.py -> build/lib/ase/test
copying ase/test/test_zmatrix.py -> build/lib/ase/test
copying ase/test/testsuite.py -> build/lib/ase/test
copying ase/test/utils.py -> build/lib/ase/test
creating build/lib/ase/spectrum
copying ase/spectrum/__init__.py -> build/lib/ase/spectrum
copying ase/spectrum/band_structure.py -> build/lib/ase/spectrum
copying ase/spectrum/doscollection.py -> build/lib/ase/spectrum
copying ase/spectrum/dosdata.py -> build/lib/ase/spectrum
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/spacegroup.py -> build/lib/ase/spacegroup
copying ase/spacegroup/symmetrize.py -> build/lib/ase/spacegroup
copying ase/spacegroup/utils.py -> build/lib/ase/spacegroup
copying ase/spacegroup/xtal.py -> build/lib/ase/spacegroup
creating build/lib/ase/optimize
copying ase/optimize/__init__.py -> build/lib/ase/optimize
copying ase/optimize/basin.py -> build/lib/ase/optimize
copying ase/optimize/berny.py -> build/lib/ase/optimize
copying ase/optimize/bfgs.py -> build/lib/ase/optimize
copying ase/optimize/bfgslinesearch.py -> build/lib/ase/optimize
copying ase/optimize/fire.py -> build/lib/ase/optimize
copying ase/optimize/lbfgs.py -> build/lib/ase/optimize
copying ase/optimize/mdmin.py -> build/lib/ase/optimize
copying ase/optimize/minimahopping.py -> build/lib/ase/optimize
copying ase/optimize/ode.py -> build/lib/ase/optimize
copying ase/optimize/oldqn.py -> build/lib/ase/optimize
copying ase/optimize/optimize.py -> build/lib/ase/optimize
copying ase/optimize/sciopt.py -> build/lib/ase/optimize
creating build/lib/ase/md
copying ase/md/__init__.py -> build/lib/ase/md
copying ase/md/analysis.py -> build/lib/ase/md
copying ase/md/andersen.py -> build/lib/ase/md
copying ase/md/contour_exploration.py -> build/lib/ase/md
copying ase/md/fix.py -> build/lib/ase/md
copying ase/md/langevin.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/npt.py -> build/lib/ase/md
copying ase/md/nptberendsen.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/velocitydistribution.py -> build/lib/ase/md
copying ase/md/verlet.py -> build/lib/ase/md
creating build/lib/ase/lattice
copying ase/lattice/__init__.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/cubic.py -> build/lib/ase/lattice
copying ase/lattice/hexagonal.py -> build/lib/ase/lattice
copying ase/lattice/monoclinic.py -> build/lib/ase/lattice
copying ase/lattice/orthorhombic.py -> build/lib/ase/lattice
copying ase/lattice/spacegroup.py -> build/lib/ase/lattice
copying ase/lattice/surface.py -> build/lib/ase/lattice
copying ase/lattice/tetragonal.py -> build/lib/ase/lattice
copying ase/lattice/triclinic.py -> build/lib/ase/lattice
creating build/lib/ase/io
copying ase/io/__init__.py -> build/lib/ase/io
copying ase/io/abinit.py -> build/lib/ase/io
copying ase/io/acemolecule.py -> build/lib/ase/io
copying ase/io/aff.py -> build/lib/ase/io
copying ase/io/aims.py -> build/lib/ase/io
copying ase/io/animation.py -> build/lib/ase/io
copying ase/io/bader.py -> build/lib/ase/io
copying ase/io/bundlemanipulate.py -> build/lib/ase/io
copying ase/io/bundletrajectory.py -> build/lib/ase/io
copying ase/io/bytes.py -> build/lib/ase/io
copying ase/io/castep.py -> build/lib/ase/io
copying ase/io/cfg.py -> build/lib/ase/io
copying ase/io/cif.py -> build/lib/ase/io
copying ase/io/cif_unicode.py -> build/lib/ase/io
copying ase/io/cmdft.py -> build/lib/ase/io
copying ase/io/cml.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/cube.py -> build/lib/ase/io
copying ase/io/dacapo.py -> build/lib/ase/io
copying ase/io/db.py -> build/lib/ase/io
copying ase/io/dftb.py -> build/lib/ase/io
copying ase/io/dlp4.py -> build/lib/ase/io
copying ase/io/dmol.py -> build/lib/ase/io
copying ase/io/elk.py -> build/lib/ase/io
copying ase/io/eon.py -> build/lib/ase/io
copying ase/io/eps.py -> build/lib/ase/io
copying ase/io/espresso.py -> build/lib/ase/io
copying ase/io/exciting.py -> build/lib/ase/io
copying ase/io/extxyz.py -> build/lib/ase/io
copying ase/io/findsym.py -> build/lib/ase/io
copying ase/io/formats.py -> build/lib/ase/io
copying ase/io/fortranfile.py -> build/lib/ase/io
copying ase/io/gamess_us.py -> build/lib/ase/io
copying ase/io/gaussian.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/gpumd.py -> build/lib/ase/io
copying ase/io/gpw.py -> build/lib/ase/io
copying ase/io/gromacs.py -> build/lib/ase/io
copying ase/io/gromos.py -> build/lib/ase/io
copying ase/io/jsonio.py -> build/lib/ase/io
copying ase/io/jsv.py -> build/lib/ase/io
copying ase/io/lammpsdata.py -> build/lib/ase/io
copying ase/io/lammpsrun.py -> build/lib/ase/io
copying ase/io/magres.py -> build/lib/ase/io
copying ase/io/mol.py -> build/lib/ase/io
copying ase/io/mustem.py -> build/lib/ase/io
copying ase/io/netcdftrajectory.py -> build/lib/ase/io
copying ase/io/nomad_json.py -> build/lib/ase/io
copying ase/io/opls.py -> build/lib/ase/io
copying ase/io/orca.py -> build/lib/ase/io
copying ase/io/pickletrajectory.py -> build/lib/ase/io
copying ase/io/png.py -> build/lib/ase/io
copying ase/io/pov.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/py.py -> build/lib/ase/io
copying ase/io/qbox.py -> build/lib/ase/io
copying ase/io/res.py -> build/lib/ase/io
copying ase/io/rmc6f.py -> build/lib/ase/io
copying ase/io/sdf.py -> build/lib/ase/io
copying ase/io/siesta.py -> build/lib/ase/io
copying ase/io/sys.py -> build/lib/ase/io
copying ase/io/trajectory.py -> build/lib/ase/io
copying ase/io/turbomole.py -> build/lib/ase/io
copying ase/io/ulm.py -> build/lib/ase/io
copying ase/io/utils.py -> build/lib/ase/io
copying ase/io/v_sim.py -> build/lib/ase/io
copying ase/io/vasp.py -> build/lib/ase/io
copying ase/io/vtkxml.py -> build/lib/ase/io
copying ase/io/wannier90.py -> build/lib/ase/io
copying ase/io/wien2k.py -> build/lib/ase/io
copying ase/io/x3d.py -> build/lib/ase/io
copying ase/io/xsd.py -> build/lib/ase/io
copying ase/io/xsf.py -> build/lib/ase/io
copying ase/io/xtd.py -> build/lib/ase/io
copying ase/io/xyz.py -> build/lib/ase/io
copying ase/io/zmatrix.py -> build/lib/ase/io
creating build/lib/ase/gui
copying ase/gui/__init__.py -> build/lib/ase/gui
copying ase/gui/add.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/clipboard.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/defaults.py -> build/lib/ase/gui
copying ase/gui/graphs.py -> build/lib/ase/gui
copying ase/gui/gui.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/modify.py -> build/lib/ase/gui
copying ase/gui/movie.py -> build/lib/ase/gui
copying ase/gui/nanoparticle.py -> build/lib/ase/gui
copying ase/gui/nanotube.py -> build/lib/ase/gui
copying ase/gui/pipe.py -> build/lib/ase/gui
copying ase/gui/quickinfo.py -> build/lib/ase/gui
copying ase/gui/render.py -> build/lib/ase/gui
copying ase/gui/repeat.py -> build/lib/ase/gui
copying ase/gui/rotate.py -> build/lib/ase/gui
copying ase/gui/save.py -> build/lib/ase/gui
copying ase/gui/settings.py -> 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/ui.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/widgets.py -> build/lib/ase/gui
creating build/lib/ase/geometry
copying ase/geometry/__init__.py -> build/lib/ase/geometry
copying ase/geometry/analysis.py -> build/lib/ase/geometry
copying ase/geometry/bravais_type_engine.py -> build/lib/ase/geometry
copying ase/geometry/cell.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/minkowski_reduction.py -> build/lib/ase/geometry
creating build/lib/ase/ga
copying ase/ga/__init__.py -> build/lib/ase/ga
copying ase/ga/bulk_crossovers.py -> build/lib/ase/ga
copying ase/ga/bulk_mutations.py -> build/lib/ase/ga
copying ase/ga/bulk_startgenerator.py -> build/lib/ase/ga
copying ase/ga/bulk_utilities.py -> build/lib/ase/ga
copying ase/ga/convergence.py -> build/lib/ase/ga
copying ase/ga/cutandsplicepairing.py -> build/lib/ase/ga
copying ase/ga/data.py -> build/lib/ase/ga
copying ase/ga/element_crossovers.py -> build/lib/ase/ga
copying ase/ga/element_mutations.py -> build/lib/ase/ga
copying ase/ga/multiprocessingrun.py -> build/lib/ase/ga
copying ase/ga/offspring_creator.py -> build/lib/ase/ga
copying ase/ga/ofp_comparator.py -> build/lib/ase/ga
copying ase/ga/parallellocalrun.py -> build/lib/ase/ga
copying ase/ga/particle_comparator.py -> build/lib/ase/ga
copying ase/ga/particle_crossovers.py -> build/lib/ase/ga
copying ase/ga/particle_mutations.py -> build/lib/ase/ga
copying ase/ga/pbs_queue_run.py -> build/lib/ase/ga
copying ase/ga/population.py -> build/lib/ase/ga
copying ase/ga/relax_attaches.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
copying ase/ga/standard_comparators.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/utilities.py -> build/lib/ase/ga
creating build/lib/ase/dft
copying ase/dft/__init__.py -> build/lib/ase/dft
copying ase/dft/band_structure.py -> build/lib/ase/dft
copying ase/dft/bandgap.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/dos.py -> build/lib/ase/dft
copying ase/dft/kpoints.py -> build/lib/ase/dft
copying ase/dft/pars_beefvdw.py -> build/lib/ase/dft
copying ase/dft/pars_mbeef.py -> build/lib/ase/dft
copying ase/dft/pars_mbeefvdw.py -> build/lib/ase/dft
copying ase/dft/stm.py -> build/lib/ase/dft
copying ase/dft/wannier.py -> build/lib/ase/dft
creating build/lib/ase/db
copying ase/db/__init__.py -> build/lib/ase/db
copying ase/db/app.py -> build/lib/ase/db
copying ase/db/cli.py -> build/lib/ase/db
copying ase/db/convert.py -> build/lib/ase/db
copying ase/db/core.py -> build/lib/ase/db
copying ase/db/jsondb.py -> build/lib/ase/db
copying ase/db/mysql.py -> build/lib/ase/db
copying ase/db/postgresql.py -> build/lib/ase/db
copying ase/db/row.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/web.py -> build/lib/ase/db
creating build/lib/ase/data
copying ase/data/__init__.py -> build/lib/ase/data
copying ase/data/cccbdb_ip.py -> build/lib/ase/data
copying ase/data/colors.py -> build/lib/ase/data
copying ase/data/dbh24.py -> build/lib/ase/data
copying ase/data/extra_molecules.py -> build/lib/ase/data
copying ase/data/g2.py -> build/lib/ase/data
copying ase/data/g2_1.py -> build/lib/ase/data
copying ase/data/g2_1_ref.py -> build/lib/ase/data
copying ase/data/g2_1_ref_g03.py -> build/lib/ase/data
copying ase/data/g2_1_ref_vasp.py -> build/lib/ase/data
copying ase/data/g2_1_ref_wien97.py -> build/lib/ase/data
copying ase/data/g2_2.py -> build/lib/ase/data
copying ase/data/isotopes.py -> build/lib/ase/data
copying ase/data/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/vdw.py -> build/lib/ase/data
copying ase/data/vdw_alvarez.py -> build/lib/ase/data
creating build/lib/ase/collections
copying ase/collections/__init__.py -> build/lib/ase/collections
copying ase/collections/collection.py -> build/lib/ase/collections
copying ase/collections/create.py -> build/lib/ase/collections
creating build/lib/ase/cluster
copying ase/cluster/__init__.py -> build/lib/ase/cluster
copying ase/cluster/base.py -> build/lib/ase/cluster
copying ase/cluster/cluster.py -> build/lib/ase/cluster
copying ase/cluster/compounds.py -> build/lib/ase/cluster
copying ase/cluster/cubic.py -> build/lib/ase/cluster
copying ase/cluster/decahedron.py -> build/lib/ase/cluster
copying ase/cluster/factory.py -> build/lib/ase/cluster
copying ase/cluster/hexagonal.py -> build/lib/ase/cluster
copying ase/cluster/icosahedron.py -> build/lib/ase/cluster
copying ase/cluster/octahedron.py -> build/lib/ase/cluster
copying ase/cluster/util.py -> build/lib/ase/cluster
copying ase/cluster/wulff.py -> build/lib/ase/cluster
creating build/lib/ase/cli
copying ase/cli/__init__.py -> build/lib/ase/cli
copying ase/cli/band_structure.py -> build/lib/ase/cli
copying ase/cli/build.py -> build/lib/ase/cli
copying ase/cli/complete.py -> build/lib/ase/cli
copying ase/cli/completion.py -> build/lib/ase/cli
copying ase/cli/convert.py -> build/lib/ase/cli
copying ase/cli/diff.py -> build/lib/ase/cli
copying ase/cli/dimensionality.py -> build/lib/ase/cli
copying ase/cli/exec.py -> build/lib/ase/cli
copying ase/cli/find.py -> build/lib/ase/cli
copying ase/cli/info.py -> build/lib/ase/cli
copying ase/cli/main.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/nomadget.py -> build/lib/ase/cli
copying ase/cli/reciprocal.py -> build/lib/ase/cli
copying ase/cli/run.py -> build/lib/ase/cli
copying ase/cli/template.py -> build/lib/ase/cli
creating build/lib/ase/calculators
copying ase/calculators/__init__.py -> build/lib/ase/calculators
copying ase/calculators/abc.py -> build/lib/ase/calculators
copying ase/calculators/abinit.py -> build/lib/ase/calculators
copying ase/calculators/acemolecule.py -> build/lib/ase/calculators
copying ase/calculators/acn.py -> build/lib/ase/calculators
copying ase/calculators/aims.py -> build/lib/ase/calculators
copying ase/calculators/amber.py -> build/lib/ase/calculators
copying ase/calculators/autodetect.py -> build/lib/ase/calculators
copying ase/calculators/bond_polarizability.py -> build/lib/ase/calculators
copying ase/calculators/calculator.py -> build/lib/ase/calculators
copying ase/calculators/castep.py -> build/lib/ase/calculators
copying ase/calculators/checkpoint.py -> build/lib/ase/calculators
copying ase/calculators/combine_mm.py -> build/lib/ase/calculators
copying ase/calculators/counterions.py -> build/lib/ase/calculators
copying ase/calculators/cp2k.py -> build/lib/ase/calculators
copying ase/calculators/crystal.py -> build/lib/ase/calculators
copying ase/calculators/demonnano.py -> build/lib/ase/calculators
copying ase/calculators/dftb.py -> build/lib/ase/calculators
copying ase/calculators/dftd3.py -> build/lib/ase/calculators
copying ase/calculators/dmol.py -> build/lib/ase/calculators
copying ase/calculators/eam.py -> build/lib/ase/calculators
copying ase/calculators/elk.py -> build/lib/ase/calculators
copying ase/calculators/emt.py -> build/lib/ase/calculators
copying ase/calculators/espresso.py -> build/lib/ase/calculators
copying ase/calculators/excitation_list.py -> build/lib/ase/calculators
copying ase/calculators/exciting.py -> build/lib/ase/calculators
copying ase/calculators/ff.py -> build/lib/ase/calculators
copying ase/calculators/fleur.py -> build/lib/ase/calculators
copying ase/calculators/gamess_us.py -> build/lib/ase/calculators
copying ase/calculators/gaussian.py -> build/lib/ase/calculators
copying ase/calculators/general.py -> build/lib/ase/calculators
copying ase/calculators/gromacs.py -> build/lib/ase/calculators
copying ase/calculators/gulp.py -> build/lib/ase/calculators
copying ase/calculators/h2morse.py -> build/lib/ase/calculators
copying ase/calculators/harmonic.py -> build/lib/ase/calculators
copying ase/calculators/idealgas.py -> build/lib/ase/calculators
copying ase/calculators/interface.py -> build/lib/ase/calculators
copying ase/calculators/lammpslib.py -> build/lib/ase/calculators
copying ase/calculators/lammpsrun.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/mixing.py -> build/lib/ase/calculators
copying ase/calculators/mopac.py -> build/lib/ase/calculators
copying ase/calculators/morse.py -> build/lib/ase/calculators
copying ase/calculators/neighborlist.py -> build/lib/ase/calculators
copying ase/calculators/nwchem.py -> build/lib/ase/calculators
copying ase/calculators/octopus.py -> build/lib/ase/calculators
copying ase/calculators/onetep.py -> build/lib/ase/calculators
copying ase/calculators/orca.py -> build/lib/ase/calculators
copying ase/calculators/psi4.py -> build/lib/ase/calculators
copying ase/calculators/qchem.py -> build/lib/ase/calculators
copying ase/calculators/qmmm.py -> build/lib/ase/calculators
copying ase/calculators/singlepoint.py -> build/lib/ase/calculators
copying ase/calculators/socketio.py -> build/lib/ase/calculators
copying ase/calculators/test.py -> build/lib/ase/calculators
copying ase/calculators/tip3p.py -> build/lib/ase/calculators
copying ase/calculators/tip4p.py -> build/lib/ase/calculators
copying ase/calculators/turbomole.py -> build/lib/ase/calculators
copying ase/calculators/vdwcorrection.py -> build/lib/ase/calculators
creating build/lib/ase/build
copying ase/build/__init__.py -> build/lib/ase/build
copying ase/build/attach.py -> build/lib/ase/build
copying ase/build/bulk.py -> build/lib/ase/build
copying ase/build/connected.py -> build/lib/ase/build
copying ase/build/general_surface.py -> build/lib/ase/build
copying ase/build/molecule.py -> build/lib/ase/build
copying ase/build/ribbon.py -> build/lib/ase/build
copying ase/build/root.py -> build/lib/ase/build
copying ase/build/rotate.py -> build/lib/ase/build
copying ase/build/supercells.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/tools.py -> build/lib/ase/build
copying ase/build/tube.py -> build/lib/ase/build
creating 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_combine.py -> build/lib/ase/test/vibrations
copying ase/test/vibrations/test_folding.py -> build/lib/ase/test/vibrations
copying ase/test/vibrations/test_franck_condon.py -> build/lib/ase/test/vibrations
copying ase/test/vibrations/test_pickle2json.py -> build/lib/ase/test/vibrations
copying ase/test/vibrations/test_placzek.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
copying ase/test/vibrations/test_vibrations_example.py -> build/lib/ase/test/vibrations
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/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/spectrum
copying ase/test/spectrum/__init__.py -> 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
creating build/lib/ase/test/precon
copying ase/test/precon/__init__.py -> build/lib/ase/test/precon
copying ase/test/precon/test_amin.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_lbfgs.py -> build/lib/ase/test/precon
copying ase/test/precon/test_precon_assembly.py -> build/lib/ase/test/precon
copying ase/test/precon/test_smallcell.py -> build/lib/ase/test/precon
copying ase/test/precon/test_unitcellfilter.py -> build/lib/ase/test/precon
creating 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
copying ase/test/optimize/test_fire.py -> build/lib/ase/test/optimize
copying ase/test/optimize/test_minimahop.py -> build/lib/ase/test/optimize
copying ase/test/optimize/test_optimizers.py -> build/lib/ase/test/optimize
copying ase/test/optimize/test_replay.py -> build/lib/ase/test/optimize
creating build/lib/ase/test/neighbor
copying ase/test/neighbor/__init__.py -> build/lib/ase/test/neighbor
copying ase/test/neighbor/test_neighbor.py -> build/lib/ase/test/neighbor
copying ase/test/neighbor/test_neighbor_initialization.py -> build/lib/ase/test/neighbor
copying ase/test/neighbor/test_neighbor_kernel.py -> build/lib/ase/test/neighbor
creating build/lib/ase/test/neb
copying ase/test/neb/__init__.py -> build/lib/ase/test/neb
copying ase/test/neb/test_COCu111.py -> build/lib/ase/test/neb
copying ase/test/neb/test_COCu111_2.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_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/test/neb/test_shared_calculator_neb.py -> build/lib/ase/test/neb
creating build/lib/ase/test/md
copying ase/test/md/__init__.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_ce_curvature.py -> build/lib/ase/test/md
copying ase/test/md/test_ce_logging.py -> build/lib/ase/test/md
copying ase/test/md/test_ce_potentiostat.py -> build/lib/ase/test/md
copying ase/test/md/test_fixrotation.py -> build/lib/ase/test/md
copying ase/test/md/test_idealgas.py -> build/lib/ase/test/md
copying ase/test/md/test_langevin_switching.py -> build/lib/ase/test/md
copying ase/test/md/test_maxwellboltzmann.py -> build/lib/ase/test/md
copying ase/test/md/test_md.py -> build/lib/ase/test/md
copying ase/test/md/test_md_logger.py -> build/lib/ase/test/md
copying ase/test/md/test_md_logger_interval.py -> build/lib/ase/test/md
copying ase/test/md/test_nvt_npt.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_velocity_distribution.py -> build/lib/ase/test/md
copying ase/test/md/test_verlet_thermostats_asap.py -> build/lib/ase/test/md
creating build/lib/ase/test/lammpsdata
copying ase/test/lammpsdata/__init__.py -> build/lib/ase/test/lammpsdata
copying ase/test/lammpsdata/comparison.py -> build/lib/ase/test/lammpsdata
copying ase/test/lammpsdata/conftest.py -> build/lib/ase/test/lammpsdata
copying ase/test/lammpsdata/parse_lammps_data_file.py -> build/lib/ase/test/lammpsdata
copying ase/test/lammpsdata/test_lammpsdata_read.py -> build/lib/ase/test/lammpsdata
copying ase/test/lammpsdata/test_lammpsdata_write.py -> build/lib/ase/test/lammpsdata
creating build/lib/ase/test/gui
copying ase/test/gui/__init__.py -> build/lib/ase/test/gui
copying ase/test/gui/test_run.py -> build/lib/ase/test/gui
creating build/lib/ase/test/ga
copying ase/test/ga/__init__.py -> build/lib/ase/test/ga
copying ase/test/ga/test_add_candidates.py -> build/lib/ase/test/ga
copying ase/test/ga/test_basic_example_main_run.py -> build/lib/ase/test/ga
copying ase/test/ga/test_bulk_operators.py -> build/lib/ase/test/ga
copying ase/test/ga/test_chain_operators.py -> build/lib/ase/test/ga
copying ase/test/ga/test_create_database.py -> build/lib/ase/test/ga
copying ase/test/ga/test_cutandsplicepairing.py -> build/lib/ase/test/ga
copying ase/test/ga/test_database_logic.py -> build/lib/ase/test/ga
copying ase/test/ga/test_element_operators.py -> build/lib/ase/test/ga
copying ase/test/ga/test_film_operators.py -> build/lib/ase/test/ga
copying ase/test/ga/test_mutations.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_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_utilities.py -> build/lib/ase/test/ga
creating build/lib/ase/test/forcefields
copying ase/test/forcefields/__init__.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_combine_mm.py -> build/lib/ase/test/forcefields
copying ase/test/forcefields/test_combine_mm2.py -> build/lib/ase/test/forcefields
copying ase/test/forcefields/test_counterions.py -> build/lib/ase/test/forcefields
copying ase/test/forcefields/test_forceqmmm.py -> build/lib/ase/test/forcefields
copying ase/test/forcefields/test_qmmm.py -> build/lib/ase/test/forcefields
copying ase/test/forcefields/test_qmmm_acn.py -> build/lib/ase/test/forcefields
copying ase/test/forcefields/test_rattle.py -> build/lib/ase/test/forcefields
copying ase/test/forcefields/test_rattle_linear.py -> build/lib/ase/test/forcefields
copying ase/test/forcefields/test_tip4p.py -> build/lib/ase/test/forcefields
copying ase/test/forcefields/test_tipnp.py -> build/lib/ase/test/forcefields
creating build/lib/ase/test/fio
copying ase/test/fio/__init__.py -> build/lib/ase/test/fio
copying ase/test/fio/conftest.py -> build/lib/ase/test/fio
copying ase/test/fio/test_abinit.py -> build/lib/ase/test/fio
copying ase/test/fio/test_ace.py -> build/lib/ase/test/fio
copying ase/test/fio/test_aims_io.py -> build/lib/ase/test/fio
copying ase/test/fio/test_animate.py -> build/lib/ase/test/fio
copying ase/test/fio/test_atoms_bytes.py -> build/lib/ase/test/fio
copying ase/test/fio/test_cfg.py -> build/lib/ase/test/fio
copying ase/test/fio/test_cif.py -> build/lib/ase/test/fio
copying ase/test/fio/test_cifblock.py -> build/lib/ase/test/fio
copying ase/test/fio/test_cml.py -> build/lib/ase/test/fio
copying ase/test/fio/test_compression.py -> build/lib/ase/test/fio
copying ase/test/fio/test_dftb.py -> build/lib/ase/test/fio
copying ase/test/fio/test_dlp.py -> build/lib/ase/test/fio
copying ase/test/fio/test_dmol.py -> build/lib/ase/test/fio
copying ase/test/fio/test_elk.py -> build/lib/ase/test/fio
copying ase/test/fio/test_eon_masses.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_eon_readwrite.py -> build/lib/ase/test/fio
copying ase/test/fio/test_espresso.py -> build/lib/ase/test/fio
copying ase/test/fio/test_exciting.py -> build/lib/ase/test/fio
copying ase/test/fio/test_extxyz.py -> build/lib/ase/test/fio
copying ase/test/fio/test_fileobj.py -> build/lib/ase/test/fio
copying ase/test/fio/test_formats.py -> build/lib/ase/test/fio
copying ase/test/fio/test_gaussian.py -> build/lib/ase/test/fio
copying ase/test/fio/test_gaussian_out.py -> build/lib/ase/test/fio
copying ase/test/fio/test_gen.py -> build/lib/ase/test/fio
copying ase/test/fio/test_gpaw.py -> build/lib/ase/test/fio
copying ase/test/fio/test_gpumd.py -> build/lib/ase/test/fio
copying ase/test/fio/test_info.py -> build/lib/ase/test/fio
copying ase/test/fio/test_ioformats.py -> build/lib/ase/test/fio
copying ase/test/fio/test_iread_path.py -> build/lib/ase/test/fio
copying ase/test/fio/test_json_arrays.py -> build/lib/ase/test/fio
copying ase/test/fio/test_jsonio.py -> build/lib/ase/test/fio
copying ase/test/fio/test_jsonio_atoms.py -> build/lib/ase/test/fio
copying ase/test/fio/test_lammpsdump.py -> build/lib/ase/test/fio
copying ase/test/fio/test_magmom.py -> build/lib/ase/test/fio
copying ase/test/fio/test_magres.py -> build/lib/ase/test/fio
copying ase/test/fio/test_match_magic.py -> build/lib/ase/test/fio
copying ase/test/fio/test_mustem.py -> build/lib/ase/test/fio
copying ase/test/fio/test_netcdftrajectory.py -> build/lib/ase/test/fio
copying ase/test/fio/test_nomad.py -> build/lib/ase/test/fio
copying ase/test/fio/test_nwchem.py -> build/lib/ase/test/fio
copying ase/test/fio/test_oi.py -> build/lib/ase/test/fio
copying ase/test/fio/test_oldtraj.py -> build/lib/ase/test/fio
copying ase/test/fio/test_opls.py -> build/lib/ase/test/fio
copying ase/test/fio/test_parallel.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_pdb_extra.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_povray.py -> build/lib/ase/test/fio
copying ase/test/fio/test_prismatic.py -> build/lib/ase/test/fio
copying ase/test/fio/test_pycodcif_read.py -> build/lib/ase/test/fio
copying ase/test/fio/test_qbox.py -> build/lib/ase/test/fio
copying ase/test/fio/test_readwrite_errors.py -> build/lib/ase/test/fio
copying ase/test/fio/test_res.py -> build/lib/ase/test/fio
copying ase/test/fio/test_rmc6f.py -> build/lib/ase/test/fio
copying ase/test/fio/test_siesta.py -> build/lib/ase/test/fio
copying ase/test/fio/test_traj_bytesio.py -> build/lib/ase/test/fio
copying ase/test/fio/test_trajectory.py -> build/lib/ase/test/fio
copying ase/test/fio/test_trajectory_heterogeneous.py -> build/lib/ase/test/fio
copying ase/test/fio/test_turbomole.py -> build/lib/ase/test/fio
copying ase/test/fio/test_ulm.py -> build/lib/ase/test/fio
copying ase/test/fio/test_ulm_dummy.py -> build/lib/ase/test/fio
copying ase/test/fio/test_v_sim.py -> build/lib/ase/test/fio
copying ase/test/fio/test_vasp_structure.py -> build/lib/ase/test/fio
copying ase/test/fio/test_wout.py -> build/lib/ase/test/fio
copying ase/test/fio/test_xsd_bond.py -> build/lib/ase/test/fio
copying ase/test/fio/test_xsf_spec.py -> build/lib/ase/test/fio
copying ase/test/fio/test_xyz.py -> build/lib/ase/test/fio
creating build/lib/ase/test/emt
copying ase/test/emt/__init__.py -> build/lib/ase/test/emt
copying ase/test/emt/test_emt.py -> build/lib/ase/test/emt
copying ase/test/emt/test_emt1.py -> build/lib/ase/test/emt
copying ase/test/emt/test_emt2.py -> 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
creating 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_hex.py -> build/lib/ase/test/dft
copying ase/test/dft/test_interpolate.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_kpts_size_offsets.py -> build/lib/ase/test/dft
copying ase/test/dft/test_monoclinic.py -> build/lib/ase/test/dft
creating build/lib/ase/test/db
copying ase/test/db/__init__.py -> build/lib/ase/test/db
copying ase/test/db/test_cli.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_db_web.py -> build/lib/ase/test/db
copying ase/test/db/test_jsondb.py -> build/lib/ase/test/db
copying ase/test/db/test_metadata.py -> build/lib/ase/test/db
copying ase/test/db/test_mysql.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_sqlite.py -> build/lib/ase/test/db
copying ase/test/db/test_table.py -> build/lib/ase/test/db
copying ase/test/db/test_update.py -> build/lib/ase/test/db
creating build/lib/ase/test/constraints
copying ase/test/constraints/__init__.py -> build/lib/ase/test/constraints
copying ase/test/constraints/test_CO2linear_Au111.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_fix_symmetry.py -> build/lib/ase/test/constraints
copying ase/test/constraints/test_fixatoms.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_fixbonds.py -> build/lib/ase/test/constraints
copying ase/test/constraints/test_fixcom.py -> build/lib/ase/test/constraints
copying ase/test/constraints/test_getindices.py -> build/lib/ase/test/constraints
copying ase/test/constraints/test_hookean.py -> build/lib/ase/test/constraints
copying ase/test/constraints/test_hookean_pbc.py -> build/lib/ase/test/constraints
copying ase/test/constraints/test_main.py -> 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_parameteric_constr.py -> build/lib/ase/test/constraints
copying ase/test/constraints/test_repeat_FixAtoms.py -> build/lib/ase/test/constraints
copying ase/test/constraints/test_setpos.py -> build/lib/ase/test/constraints
creating build/lib/ase/test/cli
copying ase/test/cli/__init__.py -> build/lib/ase/test/cli
copying ase/test/cli/test_ag.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_complete.py -> build/lib/ase/test/cli
copying ase/test/cli/test_convert.py -> build/lib/ase/test/cli
copying ase/test/cli/test_diff.py -> build/lib/ase/test/cli
copying ase/test/cli/test_dimensionality.py -> build/lib/ase/test/cli
copying ase/test/cli/test_exec.py -> build/lib/ase/test/cli
copying ase/test/cli/test_info.py -> build/lib/ase/test/cli
creating build/lib/ase/test/cell
copying ase/test/cell/__init__.py -> build/lib/ase/test/cell
copying ase/test/cell/test_cell.py -> build/lib/ase/test/cell
copying ase/test/cell/test_cell_completion.py -> build/lib/ase/test/cell
copying ase/test/cell/test_cell_conv.py -> build/lib/ase/test/cell
copying ase/test/cell/test_cell_uncompletion.py -> build/lib/ase/test/cell
copying ase/test/cell/test_conventional_map.py -> build/lib/ase/test/cell
copying ase/test/cell/test_minkowski_reduce.py -> build/lib/ase/test/cell
copying ase/test/cell/test_niggli.py -> build/lib/ase/test/cell
copying ase/test/cell/test_niggli_op.py -> build/lib/ase/test/cell
copying ase/test/cell/test_standard_form.py -> build/lib/ase/test/cell
copying ase/test/cell/test_supercell.py -> build/lib/ase/test/cell
creating build/lib/ase/test/calculator
copying ase/test/calculator/__init__.py -> build/lib/ase/test/calculator
copying ase/test/calculator/conftest.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_al.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_bond_polarizability.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_calculator.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_ch4_energy.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_dftd3.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_gulp.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_gulp_opt.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_h2.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_h2morse.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_lj.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_mopac.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_morse.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_orca.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_orca_qmmm.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_polarizability.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_si_stress.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_traj.py -> build/lib/ase/test/calculator
copying ase/test/calculator/test_ts09.py -> build/lib/ase/test/calculator
creating build/lib/ase/test/build_
copying ase/test/build_/__init__.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_
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.py -> build/lib/ase/test/build_
copying ase/test/build_/test_surface_stack.py -> build/lib/ase/test/build_
copying ase/test/build_/test_surface_terminations.py -> build/lib/ase/test/build_
creating build/lib/ase/test/bravais
copying ase/test/bravais/__init__.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_classification_engine.py -> build/lib/ase/test/bravais
copying ase/test/bravais/test_eps.py -> build/lib/ase/test/bravais
copying ase/test/bravais/test_hex.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_main.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/bandstructure
copying ase/test/bandstructure/__init__.py -> build/lib/ase/test/bandstructure
copying ase/test/bandstructure/test_bandpath.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_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
creating 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_atom_scaled_pos.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_atoms.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_distance.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_atoms_formula.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_atoms_get_duplicates.py -> build/lib/ase/test/atoms
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_atoms_info_copy.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_atoms_instantiation.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_build.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_center.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_center_nonperiodic.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_compare_atoms.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_get_angles.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_h2.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_mic.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_momenta_velocities.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_permute_axes.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_rotate.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_rotate_euler.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_scaled_positions.py -> build/lib/ase/test/atoms
copying ase/test/atoms/test_set_get_angle.py -> build/lib/ase/test/atoms
creating 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/filecmp_ignore_whitespace.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_calculator.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_check_state.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_input.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_net_charge.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_wdir.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_version.py -> build/lib/ase/test/calculator/vasp
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_H2.py -> build/lib/ase/test/calculator/turbomole
copying ase/test/calculator/turbomole/test_turbomole_au13.py -> build/lib/ase/test/calculator/turbomole
copying ase/test/calculator/turbomole/test_turbomole_h2o.py -> build/lib/ase/test/calculator/turbomole
copying ase/test/calculator/turbomole/test_turbomole_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
creating 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_bands.py -> build/lib/ase/test/calculator/siesta
copying ase/test/calculator/siesta/test_fdf_io.py -> build/lib/ase/test/calculator/siesta
copying ase/test/calculator/siesta/test_siesta.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_version.py -> build/lib/ase/test/calculator/siesta
copying ase/test/calculator/siesta/test_siesta_zmat.py -> build/lib/ase/test/calculator/siesta
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/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/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/nwchem
copying ase/test/calculator/nwchem/__init__.py -> build/lib/ase/test/calculator/nwchem
copying ase/test/calculator/nwchem/test_nwchem_bands.py -> build/lib/ase/test/calculator/nwchem
copying ase/test/calculator/nwchem/test_nwchem_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_eigenvalues.py -> build/lib/ase/test/calculator/nwchem
copying ase/test/calculator/nwchem/test_nwchem_h3o2m.py -> build/lib/ase/test/calculator/nwchem
copying ase/test/calculator/nwchem/test_nwchem_parser.py -> build/lib/ase/test/calculator/nwchem
copying ase/test/calculator/nwchem/test_nwchem_runmany.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
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_Ar_minimize.py -> build/lib/ase/test/calculator/lammpsrun
copying ase/test/calculator/lammpsrun/test_NaCl_minimize.py -> build/lib/ase/test/calculator/lammpsrun
copying ase/test/calculator/lammpsrun/test_Pt_md_constraints_multistep.py -> build/lib/ase/test/calculator/lammpsrun
copying ase/test/calculator/lammpsrun/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
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_change_cell_bcs.py -> build/lib/ase/test/calculator/lammpslib
copying ase/test/calculator/lammpslib/test_lammpslib_interface.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_post_changebox_cmds.py -> build/lib/ase/test/calculator/lammpslib
copying ase/test/calculator/lammpslib/test_lammpslib_simple.py -> build/lib/ase/test/calculator/lammpslib
copying ase/test/calculator/lammpslib/test_lammpslib_small_nonperiodic.py -> build/lib/ase/test/calculator/lammpslib
creating 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_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
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_update_coords.py -> build/lib/ase/test/calculator/kim
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/gpaw_
copying ase/test/calculator/gpaw_/__init__.py -> build/lib/ase/test/calculator/gpaw_
copying ase/test/calculator/gpaw_/test_no_spin_and_spin.py -> build/lib/ase/test/calculator/gpaw_
copying ase/test/calculator/gpaw_/test_read_text_output.py -> build/lib/ase/test/calculator/gpaw_
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_gaussian_cmdline.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/test_water.py -> build/lib/ase/test/calculator/gaussian
creating build/lib/ase/test/calculator/fleur
copying ase/test/calculator/fleur/__init__.py -> build/lib/ase/test/calculator/fleur
copying ase/test/calculator/fleur/test_fleur_cmdline.py -> build/lib/ase/test/calculator/fleur
creating build/lib/ase/test/calculator/exciting
copying ase/test/calculator/exciting/__init__.py -> build/lib/ase/test/calculator/exciting
copying ase/test/calculator/exciting/test_exciting.py -> build/lib/ase/test/calculator/exciting
creating build/lib/ase/test/calculator/espresso
copying ase/test/calculator/espresso/__init__.py -> build/lib/ase/test/calculator/espresso
copying ase/test/calculator/espresso/test_espresso.py -> build/lib/ase/test/calculator/espresso
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/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/dftb
copying ase/test/calculator/dftb/__init__.py -> build/lib/ase/test/calculator/dftb
copying ase/test/calculator/dftb/test_dftb_relax_bulk.py -> build/lib/ase/test/calculator/dftb
copying ase/test/calculator/dftb/test_dftb_relax_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_dipole.py -> build/lib/ase/test/calculator/dftb
creating build/lib/ase/test/calculator/demon
copying ase/test/calculator/demon/__init__.py -> build/lib/ase/test/calculator/demon
copying ase/test/calculator/demon/test_h2o.py -> build/lib/ase/test/calculator/demon
copying ase/test/calculator/demon/test_h2o_xas_xes.py -> build/lib/ase/test/calculator/demon
creating build/lib/ase/test/calculator/crystal
copying ase/test/calculator/crystal/__init__.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_graphene.py -> build/lib/ase/test/calculator/crystal
copying ase/test/calculator/crystal/test_molecule.py -> build/lib/ase/test/calculator/crystal
creating build/lib/ase/test/calculator/cp2k
copying ase/test/calculator/cp2k/__init__.py -> build/lib/ase/test/calculator/cp2k
copying ase/test/calculator/cp2k/test_cp2k_H2_None.py -> build/lib/ase/test/calculator/cp2k
copying ase/test/calculator/cp2k/test_cp2k_dcd.py -> build/lib/ase/test/calculator/cp2k
copying ase/test/calculator/cp2k/test_cp2k_many.py -> build/lib/ase/test/calculator/cp2k
copying ase/test/calculator/cp2k/test_cp2k_restart.py -> build/lib/ase/test/calculator/cp2k
copying ase/test/calculator/cp2k/test_cp2k_stress.py -> build/lib/ase/test/calculator/cp2k
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/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/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
copying ase/test/calculator/aims/test_aims_parser.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/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
copying ase/test/calculator/abinit/test_main.py -> build/lib/ase/test/calculator/abinit
creating build/lib/ase/test/calculator/siesta/test_scripts
copying ase/test/calculator/siesta/test_scripts/__init__.py -> build/lib/ase/test/calculator/siesta/test_scripts
creating build/lib/ase/test/calculator/siesta/lrtddft
copying ase/test/calculator/siesta/lrtddft/__init__.py -> build/lib/ase/test/calculator/siesta/lrtddft
copying ase/test/calculator/siesta/lrtddft/test_siesta_lrtddft.py -> build/lib/ase/test/calculator/siesta/lrtddft
copying ase/test/calculator/siesta/lrtddft/test_siesta_raman.py -> build/lib/ase/test/calculator/siesta/lrtddft
creating build/lib/ase/test/calculator/siesta/test_scripts/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/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/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/CH4
copying ase/test/calculator/siesta/test_scripts/CH4/__init__.py -> 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
creating build/lib/ase/optimize/test
copying ase/optimize/test/__init__.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/neb.py -> 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
creating build/lib/ase/optimize/precon
copying ase/optimize/precon/__init__.py -> build/lib/ase/optimize/precon
copying ase/optimize/precon/fire.py -> build/lib/ase/optimize/precon
copying ase/optimize/precon/lbfgs.py -> build/lib/ase/optimize/precon
copying ase/optimize/precon/neighbors.py -> build/lib/ase/optimize/precon
copying ase/optimize/precon/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/gp.py -> build/lib/ase/optimize/gpmin
copying ase/optimize/gpmin/gpmin.py -> 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
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
creating build/lib/ase/io/octopus
copying ase/io/octopus/__init__.py -> build/lib/ase/io/octopus
copying ase/io/octopus/input.py -> build/lib/ase/io/octopus
copying ase/io/octopus/output.py -> build/lib/ase/io/octopus
creating build/lib/ase/io/nwchem
copying ase/io/nwchem/__init__.py -> build/lib/ase/io/nwchem
copying ase/io/nwchem/nwreader.py -> build/lib/ase/io/nwchem
copying ase/io/nwchem/nwreader_in.py -> build/lib/ase/io/nwchem
copying ase/io/nwchem/nwwriter.py -> build/lib/ase/io/nwchem
copying ase/io/nwchem/parser.py -> build/lib/ase/io/nwchem
creating build/lib/ase/geometry/dimensionality
copying ase/geometry/dimensionality/__init__.py -> build/lib/ase/geometry/dimensionality
copying ase/geometry/dimensionality/bond_generator.py -> build/lib/ase/geometry/dimensionality
copying ase/geometry/dimensionality/disjoint_set.py -> build/lib/ase/geometry/dimensionality
copying ase/geometry/dimensionality/interval_analysis.py -> build/lib/ase/geometry/dimensionality
copying ase/geometry/dimensionality/isolation.py -> build/lib/ase/geometry/dimensionality
copying ase/geometry/dimensionality/rank_determination.py -> build/lib/ase/geometry/dimensionality
copying ase/geometry/dimensionality/topology_scaling.py -> build/lib/ase/geometry/dimensionality
creating build/lib/ase/calculators/vasp
copying ase/calculators/vasp/__init__.py -> build/lib/ase/calculators/vasp
copying ase/calculators/vasp/create_input.py -> build/lib/ase/calculators/vasp
copying ase/calculators/vasp/interactive.py -> build/lib/ase/calculators/vasp
copying ase/calculators/vasp/setups.py -> build/lib/ase/calculators/vasp
copying ase/calculators/vasp/vasp.py -> build/lib/ase/calculators/vasp
copying ase/calculators/vasp/vasp2.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
creating build/lib/ase/calculators/siesta
copying ase/calculators/siesta/__init__.py -> build/lib/ase/calculators/siesta
copying ase/calculators/siesta/base_siesta.py -> build/lib/ase/calculators/siesta
copying ase/calculators/siesta/import_functions.py -> 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.py -> build/lib/ase/calculators/siesta
copying ase/calculators/siesta/siesta_lrtddft.py -> build/lib/ase/calculators/siesta
creating 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/dos.py -> 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/reader.py -> build/lib/ase/calculators/openmx
copying ase/calculators/openmx/writer.py -> build/lib/ase/calculators/openmx
creating build/lib/ase/calculators/lammps
copying ase/calculators/lammps/__init__.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
copying ase/calculators/lammps/unitconvert.py -> build/lib/ase/calculators/lammps
copying ase/calculators/lammps/unitconvert_constants.py -> build/lib/ase/calculators/lammps
creating build/lib/ase/calculators/kim
copying ase/calculators/kim/__init__.py -> build/lib/ase/calculators/kim
copying ase/calculators/kim/calculators.py -> build/lib/ase/calculators/kim
copying ase/calculators/kim/exceptions.py -> build/lib/ase/calculators/kim
copying ase/calculators/kim/kim.py -> build/lib/ase/calculators/kim
copying ase/calculators/kim/kimmodel.py -> build/lib/ase/calculators/kim
copying ase/calculators/kim/kimpy_wrappers.py -> build/lib/ase/calculators/kim
copying ase/calculators/kim/neighborlist.py -> build/lib/ase/calculators/kim
creating build/lib/ase/calculators/demon
copying ase/calculators/demon/__init__.py -> build/lib/ase/calculators/demon
copying ase/calculators/demon/demon.py -> build/lib/ase/calculators/demon
copying ase/calculators/demon/demon_io.py -> build/lib/ase/calculators/demon
copying ase/spacegroup/spacegroup.dat -> build/lib/ase/spacegroup
copying ase/collections/s22.json -> build/lib/ase/collections
copying ase/collections/g2.json -> build/lib/ase/collections
copying ase/collections/dcdft.json -> build/lib/ase/collections
creating build/lib/ase/db/templates
copying ase/db/templates/table.html -> build/lib/ase/db/templates
copying ase/db/templates/style.html -> build/lib/ase/db/templates
copying ase/db/templates/search.html -> build/lib/ase/db/templates
copying ase/db/templates/row.html -> build/lib/ase/db/templates
copying ase/db/templates/layout.html -> build/lib/ase/db/templates
copying ase/db/templates/js.html -> build/lib/ase/db/templates
creating build/lib/ase/db/static
copying ase/db/static/style.css -> build/lib/ase/db/static
copying ase/db/static/search.js -> 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/qbox_test.xml -> build/lib/ase/test/testdata
copying ase/test/testdata/qbox_04_md_ntc.reference.xml -> build/lib/ase/test/testdata
copying ase/test/testdata/opls_structure_ext.xyz -> build/lib/ase/test/testdata
copying ase/test/testdata/nomad-images.nomad-json -> build/lib/ase/test/testdata
copying ase/test/testdata/lammpslib_simple_input.data -> build/lib/ase/test/testdata
copying ase/test/testdata/lammpsdata_input.data -> build/lib/ase/test/testdata
copying ase/test/testdata/gpaw_expected_text_output -> build/lib/ase/test/testdata
copying ase/test/testdata/eam_Pt_u3.dat -> build/lib/ase/test/testdata
copying ase/test/testdata/172_defs.par -> build/lib/ase/test/testdata
msgfmt (GNU gettext-tools) 0.21
Copyright (C) 1995-2020 Free Software Foundation, Inc.
License GPLv3+: GNU GPL version 3 or later <https://gnu.org/licenses/gpl.html>
This is free software: you are free to change and redistribute it.
There is NO WARRANTY, to the extent permitted by law.
Written by Ulrich Drepper.
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Compile ase/gui/po/da/LC_MESSAGES/ag.po
Compile ase/gui/po/de/LC_MESSAGES/ag.po
Compile ase/gui/po/en_GB/LC_MESSAGES/ag.po
Compile ase/gui/po/es/LC_MESSAGES/ag.po
Compile ase/gui/po/eu/LC_MESSAGES/ag.po
Compile ase/gui/po/fi/LC_MESSAGES/ag.po
Compile ase/gui/po/fr/LC_MESSAGES/ag.po
Compile ase/gui/po/gl/LC_MESSAGES/ag.po
Compile ase/gui/po/ru/LC_MESSAGES/ag.po
Compile ase/gui/po/zh_CN/LC_MESSAGES/ag.po
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%install): /bin/sh -e /var/tmp/rpm-tmp.cblEoc
+ umask 022
+ cd /builddir/build/BUILD
+ '[' /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64 '!=' / ']'
+ rm -rf /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64
++ dirname /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64
+ mkdir -p /builddir/build/BUILDROOT
+ mkdir /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64  -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection'
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64  -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection'
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64  -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules'
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64  -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules'
+ export FCFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -Wl,-dT,/builddir/build/BUILD/ase-3.22.1/.package_note-python-ase-3.22.1-4.fc38.x86_64.ld'
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ cd ase-3.22.1
+ /usr/bin/python3 setup.py install --skip-build --prefix=/usr --optimize=1 --root /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64
running install
/usr/lib/python3.11/site-packages/setuptools/command/install.py:34: SetuptoolsDeprecationWarning: setup.py install is deprecated. Use build and pip and other standards-based tools.
  warnings.warn(
running install_lib
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/build
copying build/lib/ase/build/tube.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/build
copying build/lib/ase/build/tools.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/build
copying build/lib/ase/build/surfaces_with_termination.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/build
copying build/lib/ase/build/surface.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/build
copying build/lib/ase/build/supercells.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/build
copying build/lib/ase/build/rotate.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/build
copying build/lib/ase/build/root.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/build
copying build/lib/ase/build/ribbon.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/build
copying build/lib/ase/build/molecule.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/build
copying build/lib/ase/build/general_surface.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/build
copying build/lib/ase/build/connected.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/build
copying build/lib/ase/build/bulk.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/build
copying build/lib/ase/build/attach.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/build
copying build/lib/ase/build/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/build
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/demon
copying build/lib/ase/calculators/demon/demon_io.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/demon
copying build/lib/ase/calculators/demon/demon.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/demon
copying build/lib/ase/calculators/demon/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/demon
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/kim
copying build/lib/ase/calculators/kim/neighborlist.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/kim
copying build/lib/ase/calculators/kim/kimpy_wrappers.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/kim
copying build/lib/ase/calculators/kim/kimmodel.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/kim
copying build/lib/ase/calculators/kim/kim.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/kim
copying build/lib/ase/calculators/kim/exceptions.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/kim
copying build/lib/ase/calculators/kim/calculators.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/kim
copying build/lib/ase/calculators/kim/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/kim
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/lammps
copying build/lib/ase/calculators/lammps/unitconvert_constants.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/lammps
copying build/lib/ase/calculators/lammps/unitconvert.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/lammps
copying build/lib/ase/calculators/lammps/inputwriter.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/lammps
copying build/lib/ase/calculators/lammps/coordinatetransform.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/lammps
copying build/lib/ase/calculators/lammps/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/lammps
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/openmx
copying build/lib/ase/calculators/openmx/writer.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/openmx
copying build/lib/ase/calculators/openmx/reader.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/openmx
copying build/lib/ase/calculators/openmx/parameters.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/openmx
copying build/lib/ase/calculators/openmx/openmx.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/openmx
copying build/lib/ase/calculators/openmx/dos.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/openmx
copying build/lib/ase/calculators/openmx/default_settings.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/openmx
copying build/lib/ase/calculators/openmx/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/openmx
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/siesta
copying build/lib/ase/calculators/siesta/siesta_lrtddft.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/siesta
copying build/lib/ase/calculators/siesta/siesta.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/siesta
copying build/lib/ase/calculators/siesta/parameters.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/siesta
copying build/lib/ase/calculators/siesta/import_ion_xml.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/siesta
copying build/lib/ase/calculators/siesta/import_functions.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/siesta
copying build/lib/ase/calculators/siesta/base_siesta.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/siesta
copying build/lib/ase/calculators/siesta/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/siesta
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/vasp
copying build/lib/ase/calculators/vasp/vasp_data.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/vasp
copying build/lib/ase/calculators/vasp/vasp_auxiliary.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/vasp
copying build/lib/ase/calculators/vasp/vasp2.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/vasp
copying build/lib/ase/calculators/vasp/vasp.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/vasp
copying build/lib/ase/calculators/vasp/setups.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/vasp
copying build/lib/ase/calculators/vasp/interactive.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/vasp
copying build/lib/ase/calculators/vasp/create_input.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/vasp
copying build/lib/ase/calculators/vasp/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/vasp
copying build/lib/ase/calculators/vdwcorrection.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/turbomole.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/tip4p.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/tip3p.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/test.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/socketio.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/singlepoint.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/qmmm.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/qchem.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/psi4.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/orca.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/onetep.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/octopus.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/nwchem.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/neighborlist.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/morse.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/mopac.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/mixing.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/loggingcalc.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/lj.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/lammpsrun.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/lammpslib.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/interface.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/idealgas.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/harmonic.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/h2morse.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/gulp.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/gromacs.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/general.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/gaussian.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/gamess_us.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/fleur.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/ff.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/exciting.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/excitation_list.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/espresso.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/emt.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/elk.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/eam.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/dmol.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/dftd3.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/dftb.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/demonnano.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/crystal.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/cp2k.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/counterions.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/combine_mm.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/checkpoint.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/castep.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/calculator.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/bond_polarizability.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/autodetect.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/amber.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/aims.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/acn.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/acemolecule.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/abinit.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/abc.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
copying build/lib/ase/calculators/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli
copying build/lib/ase/cli/template.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli
copying build/lib/ase/cli/run.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli
copying build/lib/ase/cli/reciprocal.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli
copying build/lib/ase/cli/nomadget.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli
copying build/lib/ase/cli/nomad.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli
copying build/lib/ase/cli/nebplot.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli
copying build/lib/ase/cli/main.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli
copying build/lib/ase/cli/info.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli
copying build/lib/ase/cli/find.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli
copying build/lib/ase/cli/exec.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli
copying build/lib/ase/cli/dimensionality.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli
copying build/lib/ase/cli/diff.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli
copying build/lib/ase/cli/convert.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli
copying build/lib/ase/cli/completion.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli
copying build/lib/ase/cli/complete.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli
copying build/lib/ase/cli/build.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli
copying build/lib/ase/cli/band_structure.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli
copying build/lib/ase/cli/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cluster
copying build/lib/ase/cluster/wulff.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cluster
copying build/lib/ase/cluster/util.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cluster
copying build/lib/ase/cluster/octahedron.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cluster
copying build/lib/ase/cluster/icosahedron.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cluster
copying build/lib/ase/cluster/hexagonal.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cluster
copying build/lib/ase/cluster/factory.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cluster
copying build/lib/ase/cluster/decahedron.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cluster
copying build/lib/ase/cluster/cubic.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cluster
copying build/lib/ase/cluster/compounds.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cluster
copying build/lib/ase/cluster/cluster.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cluster
copying build/lib/ase/cluster/base.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cluster
copying build/lib/ase/cluster/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cluster
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/collections
copying build/lib/ase/collections/dcdft.json -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/collections
copying build/lib/ase/collections/g2.json -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/collections
copying build/lib/ase/collections/s22.json -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/collections
copying build/lib/ase/collections/create.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/collections
copying build/lib/ase/collections/collection.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/collections
copying build/lib/ase/collections/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/collections
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data
copying build/lib/ase/data/vdw_alvarez.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data
copying build/lib/ase/data/vdw.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data
copying build/lib/ase/data/s22.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data
copying build/lib/ase/data/pubchem.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data
copying build/lib/ase/data/molecules.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data
copying build/lib/ase/data/isotopes.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data
copying build/lib/ase/data/g2_2.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data
copying build/lib/ase/data/g2_1_ref_wien97.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data
copying build/lib/ase/data/g2_1_ref_vasp.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data
copying build/lib/ase/data/g2_1_ref_g03.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data
copying build/lib/ase/data/g2_1_ref.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data
copying build/lib/ase/data/g2_1.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data
copying build/lib/ase/data/g2.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data
copying build/lib/ase/data/extra_molecules.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data
copying build/lib/ase/data/dbh24.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data
copying build/lib/ase/data/colors.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data
copying build/lib/ase/data/cccbdb_ip.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data
copying build/lib/ase/data/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db/static
copying build/lib/ase/db/static/row.js -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db/static
copying build/lib/ase/db/static/search.js -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db/static
copying build/lib/ase/db/static/style.css -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db/static
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db/templates
copying build/lib/ase/db/templates/js.html -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db/templates
copying build/lib/ase/db/templates/layout.html -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db/templates
copying build/lib/ase/db/templates/row.html -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db/templates
copying build/lib/ase/db/templates/search.html -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db/templates
copying build/lib/ase/db/templates/style.html -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db/templates
copying build/lib/ase/db/templates/table.html -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db/templates
copying build/lib/ase/db/web.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db
copying build/lib/ase/db/table.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db
copying build/lib/ase/db/sqlite.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db
copying build/lib/ase/db/row.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db
copying build/lib/ase/db/postgresql.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db
copying build/lib/ase/db/mysql.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db
copying build/lib/ase/db/jsondb.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db
copying build/lib/ase/db/core.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db
copying build/lib/ase/db/convert.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db
copying build/lib/ase/db/cli.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db
copying build/lib/ase/db/app.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db
copying build/lib/ase/db/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/dft
copying build/lib/ase/dft/wannier.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/dft
copying build/lib/ase/dft/stm.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/dft
copying build/lib/ase/dft/pars_mbeefvdw.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/dft
copying build/lib/ase/dft/pars_mbeef.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/dft
copying build/lib/ase/dft/pars_beefvdw.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/dft
copying build/lib/ase/dft/kpoints.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/dft
copying build/lib/ase/dft/dos.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/dft
copying build/lib/ase/dft/bz.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/dft
copying build/lib/ase/dft/bee.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/dft
copying build/lib/ase/dft/bandgap.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/dft
copying build/lib/ase/dft/band_structure.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/dft
copying build/lib/ase/dft/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/dft
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga
copying build/lib/ase/ga/utilities.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga
copying build/lib/ase/ga/startgenerator.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga
copying build/lib/ase/ga/standardmutations.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga
copying build/lib/ase/ga/standard_comparators.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga
copying build/lib/ase/ga/soft_mutation.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga
copying build/lib/ase/ga/slab_operators.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga
copying build/lib/ase/ga/relax_attaches.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga
copying build/lib/ase/ga/population.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga
copying build/lib/ase/ga/pbs_queue_run.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga
copying build/lib/ase/ga/particle_mutations.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga
copying build/lib/ase/ga/particle_crossovers.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga
copying build/lib/ase/ga/particle_comparator.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga
copying build/lib/ase/ga/parallellocalrun.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga
copying build/lib/ase/ga/ofp_comparator.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga
copying build/lib/ase/ga/offspring_creator.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga
copying build/lib/ase/ga/multiprocessingrun.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga
copying build/lib/ase/ga/element_mutations.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga
copying build/lib/ase/ga/element_crossovers.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga
copying build/lib/ase/ga/data.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga
copying build/lib/ase/ga/cutandsplicepairing.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga
copying build/lib/ase/ga/convergence.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga
copying build/lib/ase/ga/bulk_utilities.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga
copying build/lib/ase/ga/bulk_startgenerator.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga
copying build/lib/ase/ga/bulk_mutations.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga
copying build/lib/ase/ga/bulk_crossovers.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga
copying build/lib/ase/ga/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/geometry
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/geometry/dimensionality
copying build/lib/ase/geometry/dimensionality/topology_scaling.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/geometry/dimensionality
copying build/lib/ase/geometry/dimensionality/rank_determination.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/geometry/dimensionality
copying build/lib/ase/geometry/dimensionality/isolation.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/geometry/dimensionality
copying build/lib/ase/geometry/dimensionality/interval_analysis.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/geometry/dimensionality
copying build/lib/ase/geometry/dimensionality/disjoint_set.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/geometry/dimensionality
copying build/lib/ase/geometry/dimensionality/bond_generator.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/geometry/dimensionality
copying build/lib/ase/geometry/dimensionality/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/geometry/dimensionality
copying build/lib/ase/geometry/minkowski_reduction.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/geometry
copying build/lib/ase/geometry/geometry.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/geometry
copying build/lib/ase/geometry/distance.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/geometry
copying build/lib/ase/geometry/cell.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/geometry
copying build/lib/ase/geometry/bravais_type_engine.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/geometry
copying build/lib/ase/geometry/analysis.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/geometry
copying build/lib/ase/geometry/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/geometry
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/po
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/po/zh_CN
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/po/zh_CN/LC_MESSAGES
copying build/lib/ase/gui/po/zh_CN/LC_MESSAGES/ag.mo -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/po/zh_CN/LC_MESSAGES
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/po/ru
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/po/ru/LC_MESSAGES
copying build/lib/ase/gui/po/ru/LC_MESSAGES/ag.mo -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/po/ru/LC_MESSAGES
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/po/gl
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/po/gl/LC_MESSAGES
copying build/lib/ase/gui/po/gl/LC_MESSAGES/ag.mo -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/po/gl/LC_MESSAGES
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/po/fr
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/po/fr/LC_MESSAGES
copying build/lib/ase/gui/po/fr/LC_MESSAGES/ag.mo -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/po/fr/LC_MESSAGES
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/po/fi
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/po/fi/LC_MESSAGES
copying build/lib/ase/gui/po/fi/LC_MESSAGES/ag.mo -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/po/fi/LC_MESSAGES
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/po/eu
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/po/eu/LC_MESSAGES
copying build/lib/ase/gui/po/eu/LC_MESSAGES/ag.mo -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/po/eu/LC_MESSAGES
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/po/es
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/po/es/LC_MESSAGES
copying build/lib/ase/gui/po/es/LC_MESSAGES/ag.mo -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/po/es/LC_MESSAGES
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/po/en_GB
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/po/en_GB/LC_MESSAGES
copying build/lib/ase/gui/po/en_GB/LC_MESSAGES/ag.mo -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/po/en_GB/LC_MESSAGES
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/po/de
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/po/de/LC_MESSAGES
copying build/lib/ase/gui/po/de/LC_MESSAGES/ag.mo -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/po/de/LC_MESSAGES
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/po/da
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/po/da/LC_MESSAGES
copying build/lib/ase/gui/po/da/LC_MESSAGES/ag.mo -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/po/da/LC_MESSAGES
copying build/lib/ase/gui/widgets.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui
copying build/lib/ase/gui/view.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui
copying build/lib/ase/gui/utils.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui
copying build/lib/ase/gui/ui.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui
copying build/lib/ase/gui/surfaceslab.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui
copying build/lib/ase/gui/status.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui
copying build/lib/ase/gui/settings.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui
copying build/lib/ase/gui/save.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui
copying build/lib/ase/gui/rotate.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui
copying build/lib/ase/gui/repeat.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui
copying build/lib/ase/gui/render.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui
copying build/lib/ase/gui/quickinfo.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui
copying build/lib/ase/gui/pipe.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui
copying build/lib/ase/gui/nanotube.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui
copying build/lib/ase/gui/nanoparticle.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui
copying build/lib/ase/gui/movie.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui
copying build/lib/ase/gui/modify.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui
copying build/lib/ase/gui/images.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui
copying build/lib/ase/gui/i18n.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui
copying build/lib/ase/gui/gui.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui
copying build/lib/ase/gui/graphs.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui
copying build/lib/ase/gui/defaults.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui
copying build/lib/ase/gui/constraints.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui
copying build/lib/ase/gui/colors.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui
copying build/lib/ase/gui/clipboard.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui
copying build/lib/ase/gui/celleditor.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui
copying build/lib/ase/gui/ag.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui
copying build/lib/ase/gui/add.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui
copying build/lib/ase/gui/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/nwchem
copying build/lib/ase/io/nwchem/parser.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/nwchem
copying build/lib/ase/io/nwchem/nwwriter.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/nwchem
copying build/lib/ase/io/nwchem/nwreader_in.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/nwchem
copying build/lib/ase/io/nwchem/nwreader.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/nwchem
copying build/lib/ase/io/nwchem/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/nwchem
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/octopus
copying build/lib/ase/io/octopus/output.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/octopus
copying build/lib/ase/io/octopus/input.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/octopus
copying build/lib/ase/io/octopus/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/octopus
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/vasp_parsers
copying build/lib/ase/io/vasp_parsers/vasp_outcar_parsers.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/vasp_parsers
copying build/lib/ase/io/vasp_parsers/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/vasp_parsers
copying build/lib/ase/io/zmatrix.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/xyz.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/xtd.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/xsf.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/xsd.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/x3d.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/wien2k.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/wannier90.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/vtkxml.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/vasp.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/v_sim.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/utils.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/ulm.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/turbomole.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/trajectory.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/sys.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/siesta.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/sdf.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/rmc6f.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/res.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/qbox.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/py.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/proteindatabank.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/prismatic.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/pov.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/png.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/pickletrajectory.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/orca.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/opls.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/nomad_json.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/netcdftrajectory.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/mustem.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/mol.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/magres.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/lammpsrun.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/lammpsdata.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/jsv.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/jsonio.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/gromos.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/gromacs.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/gpw.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/gpumd.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/gpaw_out.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/gen.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/gaussian.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/gamess_us.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/fortranfile.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/formats.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/findsym.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/extxyz.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/exciting.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/espresso.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/eps.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/eon.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/elk.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/dmol.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/dlp4.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/dftb.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/db.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/dacapo.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/cube.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/crystal.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/cp2k.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/cml.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/cmdft.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/cif_unicode.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/cif.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/cfg.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/castep.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/bytes.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/bundletrajectory.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/bundlemanipulate.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/bader.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/animation.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/aims.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/aff.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/acemolecule.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/abinit.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
copying build/lib/ase/io/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/lattice
copying build/lib/ase/lattice/triclinic.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/lattice
copying build/lib/ase/lattice/tetragonal.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/lattice
copying build/lib/ase/lattice/surface.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/lattice
copying build/lib/ase/lattice/spacegroup.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/lattice
copying build/lib/ase/lattice/orthorhombic.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/lattice
copying build/lib/ase/lattice/monoclinic.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/lattice
copying build/lib/ase/lattice/hexagonal.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/lattice
copying build/lib/ase/lattice/cubic.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/lattice
copying build/lib/ase/lattice/compounds.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/lattice
copying build/lib/ase/lattice/bravais.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/lattice
copying build/lib/ase/lattice/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/lattice
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/md
copying build/lib/ase/md/verlet.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/md
copying build/lib/ase/md/velocitydistribution.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/md
copying build/lib/ase/md/switch_langevin.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/md
copying build/lib/ase/md/nvtberendsen.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/md
copying build/lib/ase/md/nptberendsen.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/md
copying build/lib/ase/md/npt.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/md
copying build/lib/ase/md/md.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/md
copying build/lib/ase/md/logger.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/md
copying build/lib/ase/md/langevin.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/md
copying build/lib/ase/md/fix.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/md
copying build/lib/ase/md/contour_exploration.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/md
copying build/lib/ase/md/andersen.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/md
copying build/lib/ase/md/analysis.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/md
copying build/lib/ase/md/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/md
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/gpmin
copying build/lib/ase/optimize/gpmin/prior.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/gpmin
copying build/lib/ase/optimize/gpmin/kernel.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/gpmin
copying build/lib/ase/optimize/gpmin/gpmin.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/gpmin
copying build/lib/ase/optimize/gpmin/gp.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/gpmin
copying build/lib/ase/optimize/gpmin/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/gpmin
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/precon
copying build/lib/ase/optimize/precon/precon.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/precon
copying build/lib/ase/optimize/precon/neighbors.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/precon
copying build/lib/ase/optimize/precon/lbfgs.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/precon
copying build/lib/ase/optimize/precon/fire.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/precon
copying build/lib/ase/optimize/precon/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/precon
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/test
copying build/lib/ase/optimize/test/test.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/test
copying build/lib/ase/optimize/test/systems.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/test
copying build/lib/ase/optimize/test/neb.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/test
copying build/lib/ase/optimize/test/generate_rst.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/test
copying build/lib/ase/optimize/test/analyze.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/test
copying build/lib/ase/optimize/test/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/test
copying build/lib/ase/optimize/sciopt.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize
copying build/lib/ase/optimize/optimize.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize
copying build/lib/ase/optimize/oldqn.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize
copying build/lib/ase/optimize/ode.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize
copying build/lib/ase/optimize/minimahopping.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize
copying build/lib/ase/optimize/mdmin.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize
copying build/lib/ase/optimize/lbfgs.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize
copying build/lib/ase/optimize/fire.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize
copying build/lib/ase/optimize/bfgslinesearch.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize
copying build/lib/ase/optimize/bfgs.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize
copying build/lib/ase/optimize/berny.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize
copying build/lib/ase/optimize/basin.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize
copying build/lib/ase/optimize/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/spacegroup
copying build/lib/ase/spacegroup/spacegroup.dat -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/spacegroup
copying build/lib/ase/spacegroup/xtal.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/spacegroup
copying build/lib/ase/spacegroup/utils.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/spacegroup
copying build/lib/ase/spacegroup/symmetrize.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/spacegroup
copying build/lib/ase/spacegroup/spacegroup.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/spacegroup
copying build/lib/ase/spacegroup/crystal_data.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/spacegroup
copying build/lib/ase/spacegroup/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/spacegroup
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/spectrum
copying build/lib/ase/spectrum/dosdata.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/spectrum
copying build/lib/ase/spectrum/doscollection.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/spectrum
copying build/lib/ase/spectrum/band_structure.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/spectrum
copying build/lib/ase/spectrum/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/spectrum
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/testdata
copying build/lib/ase/test/testdata/172_defs.par -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/testdata
copying build/lib/ase/test/testdata/eam_Pt_u3.dat -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/testdata
copying build/lib/ase/test/testdata/gpaw_expected_text_output -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/testdata
copying build/lib/ase/test/testdata/lammpsdata_input.data -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/testdata
copying build/lib/ase/test/testdata/lammpslib_simple_input.data -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/testdata
copying build/lib/ase/test/testdata/nomad-images.nomad-json -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/testdata
copying build/lib/ase/test/testdata/opls_structure_ext.xyz -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/testdata
copying build/lib/ase/test/testdata/qbox_04_md_ntc.reference.xml -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/testdata
copying build/lib/ase/test/testdata/qbox_test.xml -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/testdata
copying build/lib/ase/test/pytest.ini -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_set_get_angle.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_scaled_positions.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_rotate_euler.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_rotate.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_permute_axes.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_momenta_velocities.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_mic.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_h2.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_get_angles.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_deprecated_get_set.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_compare_atoms.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_center_nonperiodic.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_center.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_build.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_atoms_instantiation.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_atoms_info_copy.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_atoms_getitem.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_atoms_get_positions.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_atoms_get_duplicates.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_atoms_formula.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_atoms_distance.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_atoms_angle.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_atoms.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_atom_scaled_pos.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/test_atom.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms
copying build/lib/ase/test/atoms/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bandstructure
copying build/lib/ase/test/bandstructure/test_resolve_custom_kpoints.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bandstructure
copying build/lib/ase/test/bandstructure/test_bandstructure_transform_mcl.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bandstructure
copying build/lib/ase/test/bandstructure/test_bandstructure_many.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bandstructure
copying build/lib/ase/test/bandstructure/test_bandstructure_json.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bandstructure
copying build/lib/ase/test/bandstructure/test_bandstructure.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bandstructure
copying build/lib/ase/test/bandstructure/test_bandpath.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bandstructure
copying build/lib/ase/test/bandstructure/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bandstructure
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bravais
copying build/lib/ase/test/bravais/test_standard_form.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bravais
copying build/lib/ase/test/bravais/test_orcc_mcl.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bravais
copying build/lib/ase/test/bravais/test_main.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bravais
copying build/lib/ase/test/bravais/test_line_lattice.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bravais
copying build/lib/ase/test/bravais/test_lattices.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bravais
copying build/lib/ase/test/bravais/test_hex.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bravais
copying build/lib/ase/test/bravais/test_eps.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bravais
copying build/lib/ase/test/bravais/test_classification_engine.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bravais
copying build/lib/ase/test/bravais/test_2d_cell_pbc.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bravais
copying build/lib/ase/test/bravais/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bravais
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/build_
copying build/lib/ase/test/build_/test_surface_terminations.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/build_
copying build/lib/ase/test/build_/test_surface_stack.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/build_
copying build/lib/ase/test/build_/test_surface.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/build_
copying build/lib/ase/test/build_/test_connected.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/build_
copying build/lib/ase/test/build_/test_bulk.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/build_
copying build/lib/ase/test/build_/test_build_bulk.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/build_
copying build/lib/ase/test/build_/test_attach.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/build_
copying build/lib/ase/test/build_/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/build_
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/abinit
copying build/lib/ase/test/calculator/abinit/test_main.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/abinit
copying build/lib/ase/test/calculator/abinit/test_abinit_cmdline.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/abinit
copying build/lib/ase/test/calculator/abinit/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/abinit
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/aims
copying build/lib/ase/test/calculator/aims/test_version.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/aims
copying build/lib/ase/test/calculator/aims/test_aims_parser.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/aims
copying build/lib/ase/test/calculator/aims/test_aims_interface.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/aims
copying build/lib/ase/test/calculator/aims/test_H2O_aims.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/aims
copying build/lib/ase/test/calculator/aims/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/aims
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/amber
copying build/lib/ase/test/calculator/amber/test_amber.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/amber
copying build/lib/ase/test/calculator/amber/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/amber
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/castep
copying build/lib/ase/test/calculator/castep/test_castep_interface.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/castep
copying build/lib/ase/test/calculator/castep/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/castep
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/cp2k
copying build/lib/ase/test/calculator/cp2k/test_cp2k_stress.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/cp2k
copying build/lib/ase/test/calculator/cp2k/test_cp2k_restart.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/cp2k
copying build/lib/ase/test/calculator/cp2k/test_cp2k_many.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/cp2k
copying build/lib/ase/test/calculator/cp2k/test_cp2k_dcd.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/cp2k
copying build/lib/ase/test/calculator/cp2k/test_cp2k_H2_None.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/cp2k
copying build/lib/ase/test/calculator/cp2k/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/cp2k
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/crystal
copying build/lib/ase/test/calculator/crystal/test_molecule.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/crystal
copying build/lib/ase/test/calculator/crystal/test_graphene.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/crystal
copying build/lib/ase/test/calculator/crystal/test_bulk.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/crystal
copying build/lib/ase/test/calculator/crystal/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/crystal
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/demon
copying build/lib/ase/test/calculator/demon/test_h2o_xas_xes.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/demon
copying build/lib/ase/test/calculator/demon/test_h2o.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/demon
copying build/lib/ase/test/calculator/demon/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/demon
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/dftb
copying build/lib/ase/test/calculator/dftb/test_dipole.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/dftb
copying build/lib/ase/test/calculator/dftb/test_dftb_relax_surface.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/dftb
copying build/lib/ase/test/calculator/dftb/test_dftb_relax_dimer.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/dftb
copying build/lib/ase/test/calculator/dftb/test_dftb_relax_bulk.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/dftb
copying build/lib/ase/test/calculator/dftb/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/dftb
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/dmol
copying build/lib/ase/test/calculator/dmol/test_water_dmol.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/dmol
copying build/lib/ase/test/calculator/dmol/test_Al_dmol.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/dmol
copying build/lib/ase/test/calculator/dmol/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/dmol
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/elk
copying build/lib/ase/test/calculator/elk/test_elk.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/elk
copying build/lib/ase/test/calculator/elk/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/elk
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/espresso
copying build/lib/ase/test/calculator/espresso/test_espresso.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/espresso
copying build/lib/ase/test/calculator/espresso/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/espresso
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/exciting
copying build/lib/ase/test/calculator/exciting/test_exciting.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/exciting
copying build/lib/ase/test/calculator/exciting/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/exciting
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/fleur
copying build/lib/ase/test/calculator/fleur/test_fleur_cmdline.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/fleur
copying build/lib/ase/test/calculator/fleur/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/fleur
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/gaussian
copying build/lib/ase/test/calculator/gaussian/test_water.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/gaussian
copying build/lib/ase/test/calculator/gaussian/test_optimizer_irc.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/gaussian
copying build/lib/ase/test/calculator/gaussian/test_h2of.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/gaussian
copying build/lib/ase/test/calculator/gaussian/test_gaussian_cmdline.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/gaussian
copying build/lib/ase/test/calculator/gaussian/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/gaussian
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/gpaw_
copying build/lib/ase/test/calculator/gpaw_/test_read_text_output.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/gpaw_
copying build/lib/ase/test/calculator/gpaw_/test_no_spin_and_spin.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/gpaw_
copying build/lib/ase/test/calculator/gpaw_/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/gpaw_
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/gromacs
copying build/lib/ase/test/calculator/gromacs/test_gromacs.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/gromacs
copying build/lib/ase/test/calculator/gromacs/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/gromacs
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/kim
copying build/lib/ase/test/calculator/kim/test_update_coords.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/kim
copying build/lib/ase/test/calculator/kim/test_relax.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/kim
copying build/lib/ase/test/calculator/kim/test_multi_neighlist.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/kim
copying build/lib/ase/test/calculator/kim/test_energy_forces_stress.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/kim
copying build/lib/ase/test/calculator/kim/test_cutoff_skin.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/kim
copying build/lib/ase/test/calculator/kim/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/kim
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/lammpslib
copying build/lib/ase/test/calculator/lammpslib/test_lammpslib_small_nonperiodic.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/lammpslib
copying build/lib/ase/test/calculator/lammpslib/test_lammpslib_simple.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/lammpslib
copying build/lib/ase/test/calculator/lammpslib/test_lammpslib_post_changebox_cmds.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/lammpslib
copying build/lib/ase/test/calculator/lammpslib/test_lammpslib_neighlist_bug.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/lammpslib
copying build/lib/ase/test/calculator/lammpslib/test_lammpslib_interface.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/lammpslib
copying build/lib/ase/test/calculator/lammpslib/test_lammpslib_change_cell_bcs.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/lammpslib
copying build/lib/ase/test/calculator/lammpslib/conftest.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/lammpslib
copying build/lib/ase/test/calculator/lammpslib/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/lammpslib
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/lammpsrun
copying build/lib/ase/test/calculator/lammpsrun/test_no_data_file_wrap.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/lammpsrun
copying build/lib/ase/test/calculator/lammpsrun/test_Pt_stress_cellopt.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/lammpsrun
copying build/lib/ase/test/calculator/lammpsrun/test_Pt_md_constraints_multistep.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/lammpsrun
copying build/lib/ase/test/calculator/lammpsrun/test_NaCl_minimize.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/lammpsrun
copying build/lib/ase/test/calculator/lammpsrun/test_Ar_minimize.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/lammpsrun
copying build/lib/ase/test/calculator/lammpsrun/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/lammpsrun
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/nwchem
copying build/lib/ase/test/calculator/nwchem/test_nwchem_stress.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/nwchem
copying build/lib/ase/test/calculator/nwchem/test_nwchem_spin_symmetry.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/nwchem
copying build/lib/ase/test/calculator/nwchem/test_nwchem_runmany.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/nwchem
copying build/lib/ase/test/calculator/nwchem/test_nwchem_parser.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/nwchem
copying build/lib/ase/test/calculator/nwchem/test_nwchem_h3o2m.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/nwchem
copying build/lib/ase/test/calculator/nwchem/test_nwchem_eigenvalues.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/nwchem
copying build/lib/ase/test/calculator/nwchem/test_nwchem_cmdline.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/nwchem
copying build/lib/ase/test/calculator/nwchem/test_nwchem_broken_symmetry.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/nwchem
copying build/lib/ase/test/calculator/nwchem/test_nwchem_bands.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/nwchem
copying build/lib/ase/test/calculator/nwchem/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/nwchem
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/octopus
copying build/lib/ase/test/calculator/octopus/test_big.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/octopus
copying build/lib/ase/test/calculator/octopus/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/octopus
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/onetep
copying build/lib/ase/test/calculator/onetep/test_onetep.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/onetep
copying build/lib/ase/test/calculator/onetep/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/onetep
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/qchem
copying build/lib/ase/test/calculator/qchem/test_qchem_calculator.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/qchem
copying build/lib/ase/test/calculator/qchem/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/qchem
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/lrtddft
copying build/lib/ase/test/calculator/siesta/lrtddft/test_siesta_raman.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/lrtddft
copying build/lib/ase/test/calculator/siesta/lrtddft/test_siesta_lrtddft.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/lrtddft
copying build/lib/ase/test/calculator/siesta/lrtddft/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/lrtddft
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/test_scripts
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/test_scripts/CH4
copying build/lib/ase/test/calculator/siesta/test_scripts/CH4/script.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/test_scripts/CH4
copying build/lib/ase/test/calculator/siesta/test_scripts/CH4/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/test_scripts/CH4
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/test_scripts/H2
copying build/lib/ase/test/calculator/siesta/test_scripts/H2/script.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/test_scripts/H2
copying build/lib/ase/test/calculator/siesta/test_scripts/H2/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/test_scripts/H2
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/test_scripts/Na8
copying build/lib/ase/test/calculator/siesta/test_scripts/Na8/script.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/test_scripts/Na8
copying build/lib/ase/test/calculator/siesta/test_scripts/Na8/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/test_scripts/Na8
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/test_scripts/Si
copying build/lib/ase/test/calculator/siesta/test_scripts/Si/script.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/test_scripts/Si
copying build/lib/ase/test/calculator/siesta/test_scripts/Si/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/test_scripts/Si
copying build/lib/ase/test/calculator/siesta/test_scripts/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/test_scripts
copying build/lib/ase/test/calculator/siesta/test_siesta_zmat.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta
copying build/lib/ase/test/calculator/siesta/test_siesta_version.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta
copying build/lib/ase/test/calculator/siesta/test_siesta_read_eigenvalues.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta
copying build/lib/ase/test/calculator/siesta/test_siesta.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta
copying build/lib/ase/test/calculator/siesta/test_fdf_io.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta
copying build/lib/ase/test/calculator/siesta/test_bands.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta
copying build/lib/ase/test/calculator/siesta/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/turbomole
copying build/lib/ase/test/calculator/turbomole/test_turbomole_qmmm.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/turbomole
copying build/lib/ase/test/calculator/turbomole/test_turbomole_optimizer.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/turbomole
copying build/lib/ase/test/calculator/turbomole/test_turbomole_h3o2m.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/turbomole
copying build/lib/ase/test/calculator/turbomole/test_turbomole_h2o.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/turbomole
copying build/lib/ase/test/calculator/turbomole/test_turbomole_au13.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/turbomole
copying build/lib/ase/test/calculator/turbomole/test_turbomole_H2.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/turbomole
copying build/lib/ase/test/calculator/turbomole/test_turbomole_2h2o.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/turbomole
copying build/lib/ase/test/calculator/turbomole/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/turbomole
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/test_version.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/test_vasp_xml.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/test_vasp_wdir.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/test_vasp_setup.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/test_vasp_net_charge.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/test_vasp_kpoints.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/test_vasp_input.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/test_vasp_co.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/test_vasp_check_state.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/test_vasp_charge.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/test_vasp_calculator.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/test_vasp_Al_volrelax.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/filecmp_ignore_whitespace.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/conftest.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/vasp/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/vasp
copying build/lib/ase/test/calculator/test_ts09.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_traj.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_si_stress.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_polarizability.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_orca_qmmm.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_orca.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_morse.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_mopac.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_lj.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_h2morse.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_h2_bond_force.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_h2.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_gulp_opt.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_gulp.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_dftd3.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_ch4_energy.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_calculator.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_bond_polarizability.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/test_al.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/conftest.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator
copying build/lib/ase/test/calculator/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cell
copying build/lib/ase/test/cell/test_supercell.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cell
copying build/lib/ase/test/cell/test_standard_form.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cell
copying build/lib/ase/test/cell/test_niggli_op.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cell
copying build/lib/ase/test/cell/test_niggli.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cell
copying build/lib/ase/test/cell/test_minkowski_reduce.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cell
copying build/lib/ase/test/cell/test_conventional_map.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cell
copying build/lib/ase/test/cell/test_cell_uncompletion.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cell
copying build/lib/ase/test/cell/test_cell_conv.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cell
copying build/lib/ase/test/cell/test_cell_completion.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cell
copying build/lib/ase/test/cell/test_cell.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cell
copying build/lib/ase/test/cell/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cell
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cli
copying build/lib/ase/test/cli/test_info.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cli
copying build/lib/ase/test/cli/test_exec.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cli
copying build/lib/ase/test/cli/test_dimensionality.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cli
copying build/lib/ase/test/cli/test_diff.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cli
copying build/lib/ase/test/cli/test_convert.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cli
copying build/lib/ase/test/cli/test_complete.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cli
copying build/lib/ase/test/cli/test_bzplot.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cli
copying build/lib/ase/test/cli/test_bandstructure.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cli
copying build/lib/ase/test/cli/test_ag.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cli
copying build/lib/ase/test/cli/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cli
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_setpos.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_repeat_FixAtoms.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_parameteric_constr.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_negativeindex.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_mirror.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_main.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_hookean_pbc.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_hookean.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_getindices.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_fixcom.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_fixbonds.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_fixbondlength_CO2_Au111.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_fixatoms.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_fix_symmetry.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_fix_bond_length_mic.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_external_force.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/test_CO2linear_Au111.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints
copying build/lib/ase/test/constraints/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/db
copying build/lib/ase/test/db/test_update.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/db
copying build/lib/ase/test/db/test_table.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/db
copying build/lib/ase/test/db/test_sqlite.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/db
copying build/lib/ase/test/db/test_sql_db_ext_tables.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/db
copying build/lib/ase/test/db/test_o2b2o.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/db
copying build/lib/ase/test/db/test_mysql.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/db
copying build/lib/ase/test/db/test_metadata.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/db
copying build/lib/ase/test/db/test_jsondb.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/db
copying build/lib/ase/test/db/test_db_web.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/db
copying build/lib/ase/test/db/test_db2.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/db
copying build/lib/ase/test/db/test_db.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/db
copying build/lib/ase/test/db/test_cli.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/db
copying build/lib/ase/test/db/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/db
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/dft
copying build/lib/ase/test/dft/test_monoclinic.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/dft
copying build/lib/ase/test/dft/test_kpts_size_offsets.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/dft
copying build/lib/ase/test/dft/test_kpt_density_monkhorst_pack.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/dft
copying build/lib/ase/test/dft/test_interpolate.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/dft
copying build/lib/ase/test/dft/test_hex.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/dft
copying build/lib/ase/test/dft/test_dos.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/dft
copying build/lib/ase/test/dft/test_bee.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/dft
copying build/lib/ase/test/dft/test_bandgap.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/dft
copying build/lib/ase/test/dft/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/dft
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/emt
copying build/lib/ase/test/emt/test_emt_stress.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/emt
copying build/lib/ase/test/emt/test_emt_h3o2m.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/emt
copying build/lib/ase/test/emt/test_emt2.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/emt
copying build/lib/ase/test/emt/test_emt1.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/emt
copying build/lib/ase/test/emt/test_emt.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/emt
copying build/lib/ase/test/emt/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/emt
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_xyz.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_xsf_spec.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_xsd_bond.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_wout.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_vasp_structure.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_v_sim.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_ulm_dummy.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_ulm.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_turbomole.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_trajectory_heterogeneous.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_trajectory.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_traj_bytesio.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_siesta.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_rmc6f.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_res.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_readwrite_errors.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_qbox.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_pycodcif_read.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_prismatic.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_povray.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_pickle_bundle_trajectory.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_pdb_extra.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_pdb_cell_io.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_parallel.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_opls.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_oldtraj.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_oi.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_nwchem.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_nomad.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_netcdftrajectory.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_mustem.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_match_magic.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_magres.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_magmom.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_lammpsdump.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_jsonio_atoms.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_jsonio.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_json_arrays.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_iread_path.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_ioformats.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_info.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_gpumd.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_gpaw.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_gen.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_gaussian_out.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_gaussian.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_formats.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_fileobj.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_extxyz.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_exciting.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_espresso.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_eon_readwrite.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_eon_multi_image_read.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_eon_masses.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_elk.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_dmol.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_dlp.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_dftb.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_compression.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_cml.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_cifblock.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_cif.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_cfg.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_atoms_bytes.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_animate.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_aims_io.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_ace.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/test_abinit.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/conftest.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
copying build/lib/ase/test/fio/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/forcefields
copying build/lib/ase/test/forcefields/test_tipnp.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/forcefields
copying build/lib/ase/test/forcefields/test_tip4p.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/forcefields
copying build/lib/ase/test/forcefields/test_rattle_linear.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/forcefields
copying build/lib/ase/test/forcefields/test_rattle.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/forcefields
copying build/lib/ase/test/forcefields/test_qmmm_acn.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/forcefields
copying build/lib/ase/test/forcefields/test_qmmm.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/forcefields
copying build/lib/ase/test/forcefields/test_forceqmmm.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/forcefields
copying build/lib/ase/test/forcefields/test_counterions.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/forcefields
copying build/lib/ase/test/forcefields/test_combine_mm2.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/forcefields
copying build/lib/ase/test/forcefields/test_combine_mm.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/forcefields
copying build/lib/ase/test/forcefields/test_aic.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/forcefields
copying build/lib/ase/test/forcefields/test_acn.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/forcefields
copying build/lib/ase/test/forcefields/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/forcefields
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/ga
copying build/lib/ase/test/ga/test_utilities.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/ga
copying build/lib/ase/test/ga/test_standardcomparator.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/ga
copying build/lib/ase/test/ga/test_slab_operators.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/ga
copying build/lib/ase/test/ga/test_particle_operators.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/ga
copying build/lib/ase/test/ga/test_particle_comparators.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/ga
copying build/lib/ase/test/ga/test_mutations.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/ga
copying build/lib/ase/test/ga/test_film_operators.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/ga
copying build/lib/ase/test/ga/test_element_operators.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/ga
copying build/lib/ase/test/ga/test_database_logic.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/ga
copying build/lib/ase/test/ga/test_cutandsplicepairing.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/ga
copying build/lib/ase/test/ga/test_create_database.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/ga
copying build/lib/ase/test/ga/test_chain_operators.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/ga
copying build/lib/ase/test/ga/test_bulk_operators.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/ga
copying build/lib/ase/test/ga/test_basic_example_main_run.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/ga
copying build/lib/ase/test/ga/test_add_candidates.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/ga
copying build/lib/ase/test/ga/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/ga
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/gui
copying build/lib/ase/test/gui/test_run.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/gui
copying build/lib/ase/test/gui/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/gui
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/lammpsdata
copying build/lib/ase/test/lammpsdata/test_lammpsdata_write.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/lammpsdata
copying build/lib/ase/test/lammpsdata/test_lammpsdata_read.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/lammpsdata
copying build/lib/ase/test/lammpsdata/parse_lammps_data_file.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/lammpsdata
copying build/lib/ase/test/lammpsdata/conftest.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/lammpsdata
copying build/lib/ase/test/lammpsdata/comparison.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/lammpsdata
copying build/lib/ase/test/lammpsdata/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/lammpsdata
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/md
copying build/lib/ase/test/md/test_verlet_thermostats_asap.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/md
copying build/lib/ase/test/md/test_velocity_distribution.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/md
copying build/lib/ase/test/md/test_phonon_md_init.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/md
copying build/lib/ase/test/md/test_nvt_npt.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/md
copying build/lib/ase/test/md/test_md_logger_interval.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/md
copying build/lib/ase/test/md/test_md_logger.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/md
copying build/lib/ase/test/md/test_md.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/md
copying build/lib/ase/test/md/test_maxwellboltzmann.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/md
copying build/lib/ase/test/md/test_langevin_switching.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/md
copying build/lib/ase/test/md/test_idealgas.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/md
copying build/lib/ase/test/md/test_fixrotation.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/md
copying build/lib/ase/test/md/test_ce_potentiostat.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/md
copying build/lib/ase/test/md/test_ce_logging.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/md
copying build/lib/ase/test/md/test_ce_curvature.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/md
copying build/lib/ase/test/md/test_CO2linear_Au111_langevin.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/md
copying build/lib/ase/test/md/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/md
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/neb
copying build/lib/ase/test/neb/test_shared_calculator_neb.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/neb
copying build/lib/ase/test/neb/test_precon_neb.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/neb
copying build/lib/ase/test/neb/test_neb_tr.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/neb
copying build/lib/ase/test/neb/test_interpolate_images.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/neb
copying build/lib/ase/test/neb/test_idpp.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/neb
copying build/lib/ase/test/neb/test_dynamic_neb.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/neb
copying build/lib/ase/test/neb/test_autoneb.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/neb
copying build/lib/ase/test/neb/test_COCu111_2.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/neb
copying build/lib/ase/test/neb/test_COCu111.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/neb
copying build/lib/ase/test/neb/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/neb
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/neighbor
copying build/lib/ase/test/neighbor/test_neighbor_kernel.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/neighbor
copying build/lib/ase/test/neighbor/test_neighbor_initialization.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/neighbor
copying build/lib/ase/test/neighbor/test_neighbor.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/neighbor
copying build/lib/ase/test/neighbor/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/neighbor
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/optimize
copying build/lib/ase/test/optimize/test_replay.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/optimize
copying build/lib/ase/test/optimize/test_optimizers.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/optimize
copying build/lib/ase/test/optimize/test_minimahop.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/optimize
copying build/lib/ase/test/optimize/test_fire.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/optimize
copying build/lib/ase/test/optimize/test_bad_restart.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/optimize
copying build/lib/ase/test/optimize/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/optimize
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/precon
copying build/lib/ase/test/precon/test_unitcellfilter.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/precon
copying build/lib/ase/test/precon/test_smallcell.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/precon
copying build/lib/ase/test/precon/test_precon_assembly.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/precon
copying build/lib/ase/test/precon/test_lbfgs.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/precon
copying build/lib/ase/test/precon/test_ff_and_precon_c60.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/precon
copying build/lib/ase/test/precon/test_amin.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/precon
copying build/lib/ase/test/precon/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/precon
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/spectrum
copying build/lib/ase/test/spectrum/test_dosdata.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/spectrum
copying build/lib/ase/test/spectrum/test_doscollection.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/spectrum
copying build/lib/ase/test/spectrum/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/spectrum
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/standardization
copying build/lib/ase/test/standardization/test_properties.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/standardization
copying build/lib/ase/test/standardization/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/standardization
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/transport
copying build/lib/ase/test/transport/test_transport_calculator.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/transport
copying build/lib/ase/test/transport/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/transport
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/vibrations
copying build/lib/ase/test/vibrations/test_vibrations_example.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/vibrations
copying build/lib/ase/test/vibrations/test_vib.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/vibrations
copying build/lib/ase/test/vibrations/test_profeta_albrecht.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/vibrations
copying build/lib/ase/test/vibrations/test_placzek.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/vibrations
copying build/lib/ase/test/vibrations/test_pickle2json.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/vibrations
copying build/lib/ase/test/vibrations/test_franck_condon.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/vibrations
copying build/lib/ase/test/vibrations/test_folding.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/vibrations
copying build/lib/ase/test/vibrations/test_combine.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/vibrations
copying build/lib/ase/test/vibrations/test_bond_polarizability_raman.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/vibrations
copying build/lib/ase/test/vibrations/test_albrecht.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/vibrations
copying build/lib/ase/test/vibrations/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/vibrations
copying build/lib/ase/test/utils.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/testsuite.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_zmatrix.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_xwopen.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_xrdebye.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_x3d.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_wannier.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_util.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_timing.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_things.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_thermochemistry.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_symbols.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_structure_comparator.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_stress.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_stm.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_springcalc.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_singlepointcalc.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_singlepoint_dft_calc.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_s22.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_root_surf.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_quaternions.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_pubchem.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_properties.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_pourbaix.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_potential_energies.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_phasediagram.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_pathlib_support.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_parsemath.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_nwchem_writer.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_noncollinear.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_mpi.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_mixingcalc.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_minimum_image_convention.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_matplotlib_plot.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_makebandpath.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_loggingcalc.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_lock.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_linesearch_maxstep.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_lattice_lindep.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_kpts2kpts.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_kpts.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_issue276.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_isotopes.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_imports.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_hcp.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_geometry_derivatives.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_geometry.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_formula.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_forcecurve.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_filecache.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_external_viewer.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_example.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_eos.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_eam_run.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_eam.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_dos.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_doctests.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_distmom.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_distance.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_dimer_method.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_dimer.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_dimensionality.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_diffusion_coefficient.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_cutoffs.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_cluster.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_checkpoint.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_calculator_label.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_calculator_equal.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_calc_properties.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_calc_outputs_big.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_basin.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_bandpath_kpts_axis.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_bandgap.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_bader.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/test_analysis.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/factories.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/conftest.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
copying build/lib/ase/test/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/transport
copying build/lib/ase/transport/tools.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/transport
copying build/lib/ase/transport/stm.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/transport
copying build/lib/ase/transport/selfenergy.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/transport
copying build/lib/ase/transport/greenfunction.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/transport
copying build/lib/ase/transport/calculators.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/transport
copying build/lib/ase/transport/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/transport
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils
copying build/lib/ase/utils/xrdebye.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils
copying build/lib/ase/utils/timing.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils
copying build/lib/ase/utils/structure_comparator.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils
copying build/lib/ase/utils/sphinx.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils
copying build/lib/ase/utils/plotting.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils
copying build/lib/ase/utils/parsemath.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils
copying build/lib/ase/utils/newrelease.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils
copying build/lib/ase/utils/linesearcharmijo.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils
copying build/lib/ase/utils/linesearch.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils
copying build/lib/ase/utils/geometry.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils
copying build/lib/ase/utils/forcecurve.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils
copying build/lib/ase/utils/filecache.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils
copying build/lib/ase/utils/ff.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils
copying build/lib/ase/utils/extrapolate.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils
copying build/lib/ase/utils/eos.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils
copying build/lib/ase/utils/distance.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils
copying build/lib/ase/utils/deltacodesdft.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils
copying build/lib/ase/utils/cext.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils
copying build/lib/ase/utils/build_web_page.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils
copying build/lib/ase/utils/bee.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils
copying build/lib/ase/utils/arraywrapper.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils
copying build/lib/ase/utils/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/vibrations
copying build/lib/ase/vibrations/vibrations.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/vibrations
copying build/lib/ase/vibrations/resonant_raman.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/vibrations
copying build/lib/ase/vibrations/raman.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/vibrations
copying build/lib/ase/vibrations/placzek.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/vibrations
copying build/lib/ase/vibrations/pickle2json.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/vibrations
copying build/lib/ase/vibrations/infrared.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/vibrations
copying build/lib/ase/vibrations/franck_condon.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/vibrations
copying build/lib/ase/vibrations/data.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/vibrations
copying build/lib/ase/vibrations/albrecht.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/vibrations
copying build/lib/ase/vibrations/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/vibrations
creating /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/visualize
copying build/lib/ase/visualize/x3d.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/visualize
copying build/lib/ase/visualize/sage.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/visualize
copying build/lib/ase/visualize/plot.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/visualize
copying build/lib/ase/visualize/paraview_script.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/visualize
copying build/lib/ase/visualize/ngl.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/visualize
copying build/lib/ase/visualize/mlab.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/visualize
copying build/lib/ase/visualize/external.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/visualize
copying build/lib/ase/visualize/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/visualize
copying build/lib/ase/units.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase
copying build/lib/ase/thermochemistry.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase
copying build/lib/ase/symbols.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase
copying build/lib/ase/structure.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase
copying build/lib/ase/stress.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase
copying build/lib/ase/quaternions.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase
copying build/lib/ase/phonons.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase
copying build/lib/ase/phasediagram.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase
copying build/lib/ase/parallel.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase
copying build/lib/ase/outputs.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase
copying build/lib/ase/nomad.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase
copying build/lib/ase/neighborlist.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase
copying build/lib/ase/neb.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase
copying build/lib/ase/formula.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase
copying build/lib/ase/eos.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase
copying build/lib/ase/dyneb.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase
copying build/lib/ase/dimer.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase
copying build/lib/ase/dependencies.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase
copying build/lib/ase/constraints.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase
copying build/lib/ase/cell.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase
copying build/lib/ase/autoneb.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase
copying build/lib/ase/atoms.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase
copying build/lib/ase/atom.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase
copying build/lib/ase/__main__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase
copying build/lib/ase/__init__.py -> /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/build/tube.py to tube.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/build/tools.py to tools.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/build/surfaces_with_termination.py to surfaces_with_termination.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/build/surface.py to surface.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/build/supercells.py to supercells.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/build/rotate.py to rotate.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/build/root.py to root.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/build/ribbon.py to ribbon.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/build/molecule.py to molecule.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/build/general_surface.py to general_surface.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/build/connected.py to connected.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/build/bulk.py to bulk.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/build/attach.py to attach.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/build/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/demon/demon_io.py to demon_io.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/demon/demon.py to demon.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/demon/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/kim/neighborlist.py to neighborlist.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/kim/kimpy_wrappers.py to kimpy_wrappers.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/kim/kimmodel.py to kimmodel.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/kim/kim.py to kim.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/kim/exceptions.py to exceptions.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/kim/calculators.py to calculators.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/kim/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/lammps/unitconvert_constants.py to unitconvert_constants.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/lammps/unitconvert.py to unitconvert.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/lammps/inputwriter.py to inputwriter.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/lammps/coordinatetransform.py to coordinatetransform.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/lammps/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/openmx/writer.py to writer.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/openmx/reader.py to reader.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/openmx/parameters.py to parameters.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/openmx/openmx.py to openmx.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/openmx/dos.py to dos.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/openmx/default_settings.py to default_settings.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/openmx/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/siesta/siesta_lrtddft.py to siesta_lrtddft.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/siesta/siesta.py to siesta.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/siesta/parameters.py to parameters.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/siesta/import_ion_xml.py to import_ion_xml.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/siesta/import_functions.py to import_functions.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/siesta/base_siesta.py to base_siesta.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/siesta/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/vasp/vasp_data.py to vasp_data.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/vasp/vasp_auxiliary.py to vasp_auxiliary.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/vasp/vasp2.py to vasp2.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/vasp/vasp.py to vasp.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/vasp/setups.py to setups.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/vasp/interactive.py to interactive.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/vasp/create_input.py to create_input.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/vasp/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/vdwcorrection.py to vdwcorrection.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/turbomole.py to turbomole.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/tip4p.py to tip4p.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/tip3p.py to tip3p.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/test.py to test.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/socketio.py to socketio.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/singlepoint.py to singlepoint.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/qmmm.py to qmmm.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/qchem.py to qchem.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/psi4.py to psi4.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/orca.py to orca.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/onetep.py to onetep.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/octopus.py to octopus.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/nwchem.py to nwchem.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/neighborlist.py to neighborlist.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/morse.py to morse.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/mopac.py to mopac.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/mixing.py to mixing.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/loggingcalc.py to loggingcalc.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/lj.py to lj.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/lammpsrun.py to lammpsrun.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/lammpslib.py to lammpslib.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/interface.py to interface.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/idealgas.py to idealgas.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/harmonic.py to harmonic.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/h2morse.py to h2morse.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/gulp.py to gulp.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/gromacs.py to gromacs.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/general.py to general.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/gaussian.py to gaussian.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/gamess_us.py to gamess_us.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/fleur.py to fleur.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/ff.py to ff.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/exciting.py to exciting.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/excitation_list.py to excitation_list.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/espresso.py to espresso.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/emt.py to emt.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/elk.py to elk.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/eam.py to eam.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/dmol.py to dmol.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/dftd3.py to dftd3.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/dftb.py to dftb.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/demonnano.py to demonnano.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/crystal.py to crystal.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/cp2k.py to cp2k.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/counterions.py to counterions.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/combine_mm.py to combine_mm.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/checkpoint.py to checkpoint.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/castep.py to castep.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/calculator.py to calculator.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/bond_polarizability.py to bond_polarizability.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/autodetect.py to autodetect.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/amber.py to amber.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/aims.py to aims.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/acn.py to acn.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/acemolecule.py to acemolecule.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/abinit.py to abinit.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/abc.py to abc.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/calculators/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli/template.py to template.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli/run.py to run.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli/reciprocal.py to reciprocal.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli/nomadget.py to nomadget.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli/nomad.py to nomad.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli/nebplot.py to nebplot.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli/main.py to main.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli/info.py to info.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli/find.py to find.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli/exec.py to exec.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli/dimensionality.py to dimensionality.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli/diff.py to diff.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli/convert.py to convert.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli/completion.py to completion.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli/complete.py to complete.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli/build.py to build.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli/band_structure.py to band_structure.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cli/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cluster/wulff.py to wulff.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cluster/util.py to util.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cluster/octahedron.py to octahedron.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cluster/icosahedron.py to icosahedron.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cluster/hexagonal.py to hexagonal.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cluster/factory.py to factory.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cluster/decahedron.py to decahedron.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cluster/cubic.py to cubic.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cluster/compounds.py to compounds.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cluster/cluster.py to cluster.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cluster/base.py to base.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cluster/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/collections/create.py to create.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/collections/collection.py to collection.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/collections/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data/vdw_alvarez.py to vdw_alvarez.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data/vdw.py to vdw.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data/s22.py to s22.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data/pubchem.py to pubchem.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data/molecules.py to molecules.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data/isotopes.py to isotopes.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data/g2_2.py to g2_2.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data/g2_1_ref_wien97.py to g2_1_ref_wien97.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data/g2_1_ref_vasp.py to g2_1_ref_vasp.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data/g2_1_ref_g03.py to g2_1_ref_g03.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data/g2_1_ref.py to g2_1_ref.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data/g2_1.py to g2_1.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data/g2.py to g2.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data/extra_molecules.py to extra_molecules.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data/dbh24.py to dbh24.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data/colors.py to colors.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data/cccbdb_ip.py to cccbdb_ip.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/data/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db/web.py to web.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db/table.py to table.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db/sqlite.py to sqlite.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db/row.py to row.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db/postgresql.py to postgresql.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db/mysql.py to mysql.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db/jsondb.py to jsondb.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db/core.py to core.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db/convert.py to convert.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db/cli.py to cli.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db/app.py to app.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/db/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/dft/wannier.py to wannier.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/dft/stm.py to stm.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/dft/pars_mbeefvdw.py to pars_mbeefvdw.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/dft/pars_mbeef.py to pars_mbeef.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/dft/pars_beefvdw.py to pars_beefvdw.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/dft/kpoints.py to kpoints.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/dft/dos.py to dos.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/dft/bz.py to bz.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/dft/bee.py to bee.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/dft/bandgap.py to bandgap.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/dft/band_structure.py to band_structure.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/dft/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga/utilities.py to utilities.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga/startgenerator.py to startgenerator.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga/standardmutations.py to standardmutations.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga/standard_comparators.py to standard_comparators.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga/soft_mutation.py to soft_mutation.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga/slab_operators.py to slab_operators.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga/relax_attaches.py to relax_attaches.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga/population.py to population.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga/pbs_queue_run.py to pbs_queue_run.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga/particle_mutations.py to particle_mutations.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga/particle_crossovers.py to particle_crossovers.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga/particle_comparator.py to particle_comparator.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga/parallellocalrun.py to parallellocalrun.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga/ofp_comparator.py to ofp_comparator.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga/offspring_creator.py to offspring_creator.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga/multiprocessingrun.py to multiprocessingrun.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga/element_mutations.py to element_mutations.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga/element_crossovers.py to element_crossovers.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga/data.py to data.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga/cutandsplicepairing.py to cutandsplicepairing.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga/convergence.py to convergence.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga/bulk_utilities.py to bulk_utilities.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga/bulk_startgenerator.py to bulk_startgenerator.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga/bulk_mutations.py to bulk_mutations.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga/bulk_crossovers.py to bulk_crossovers.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/ga/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/geometry/dimensionality/topology_scaling.py to topology_scaling.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/geometry/dimensionality/rank_determination.py to rank_determination.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/geometry/dimensionality/isolation.py to isolation.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/geometry/dimensionality/interval_analysis.py to interval_analysis.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/geometry/dimensionality/disjoint_set.py to disjoint_set.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/geometry/dimensionality/bond_generator.py to bond_generator.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/geometry/dimensionality/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/geometry/minkowski_reduction.py to minkowski_reduction.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/geometry/geometry.py to geometry.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/geometry/distance.py to distance.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/geometry/cell.py to cell.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/geometry/bravais_type_engine.py to bravais_type_engine.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/geometry/analysis.py to analysis.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/geometry/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/widgets.py to widgets.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/view.py to view.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/utils.py to utils.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/ui.py to ui.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/surfaceslab.py to surfaceslab.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/status.py to status.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/settings.py to settings.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/save.py to save.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/rotate.py to rotate.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/repeat.py to repeat.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/render.py to render.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/quickinfo.py to quickinfo.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/pipe.py to pipe.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/nanotube.py to nanotube.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/nanoparticle.py to nanoparticle.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/movie.py to movie.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/modify.py to modify.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/images.py to images.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/i18n.py to i18n.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/gui.py to gui.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/graphs.py to graphs.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/defaults.py to defaults.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/constraints.py to constraints.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/colors.py to colors.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/clipboard.py to clipboard.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/celleditor.py to celleditor.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/ag.py to ag.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/add.py to add.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/nwchem/parser.py to parser.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/nwchem/nwwriter.py to nwwriter.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/nwchem/nwreader_in.py to nwreader_in.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/nwchem/nwreader.py to nwreader.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/nwchem/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/octopus/output.py to output.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/octopus/input.py to input.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/octopus/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/vasp_parsers/vasp_outcar_parsers.py to vasp_outcar_parsers.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/vasp_parsers/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/zmatrix.py to zmatrix.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/xyz.py to xyz.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/xtd.py to xtd.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/xsf.py to xsf.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/xsd.py to xsd.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/x3d.py to x3d.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/wien2k.py to wien2k.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/wannier90.py to wannier90.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/vtkxml.py to vtkxml.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/vasp.py to vasp.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/v_sim.py to v_sim.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/utils.py to utils.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/ulm.py to ulm.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/turbomole.py to turbomole.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/trajectory.py to trajectory.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/sys.py to sys.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/siesta.py to siesta.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/sdf.py to sdf.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/rmc6f.py to rmc6f.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/res.py to res.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/qbox.py to qbox.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/py.py to py.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/proteindatabank.py to proteindatabank.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/prismatic.py to prismatic.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/pov.py to pov.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/png.py to png.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/pickletrajectory.py to pickletrajectory.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/orca.py to orca.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/opls.py to opls.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/nomad_json.py to nomad_json.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/netcdftrajectory.py to netcdftrajectory.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/mustem.py to mustem.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/mol.py to mol.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/magres.py to magres.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/lammpsrun.py to lammpsrun.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/lammpsdata.py to lammpsdata.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/jsv.py to jsv.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/jsonio.py to jsonio.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/gromos.py to gromos.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/gromacs.py to gromacs.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/gpw.py to gpw.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/gpumd.py to gpumd.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/gpaw_out.py to gpaw_out.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/gen.py to gen.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/gaussian.py to gaussian.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/gamess_us.py to gamess_us.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/fortranfile.py to fortranfile.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/formats.py to formats.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/findsym.py to findsym.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/extxyz.py to extxyz.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/exciting.py to exciting.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/espresso.py to espresso.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/eps.py to eps.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/eon.py to eon.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/elk.py to elk.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/dmol.py to dmol.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/dlp4.py to dlp4.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/dftb.py to dftb.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/db.py to db.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/dacapo.py to dacapo.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/cube.py to cube.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/crystal.py to crystal.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/cp2k.py to cp2k.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/cml.py to cml.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/cmdft.py to cmdft.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/cif_unicode.py to cif_unicode.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/cif.py to cif.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/cfg.py to cfg.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/castep.py to castep.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/bytes.py to bytes.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/bundletrajectory.py to bundletrajectory.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/bundlemanipulate.py to bundlemanipulate.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/bader.py to bader.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/animation.py to animation.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/aims.py to aims.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/aff.py to aff.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/acemolecule.py to acemolecule.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/abinit.py to abinit.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/io/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/lattice/triclinic.py to triclinic.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/lattice/tetragonal.py to tetragonal.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/lattice/surface.py to surface.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/lattice/spacegroup.py to spacegroup.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/lattice/orthorhombic.py to orthorhombic.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/lattice/monoclinic.py to monoclinic.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/lattice/hexagonal.py to hexagonal.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/lattice/cubic.py to cubic.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/lattice/compounds.py to compounds.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/lattice/bravais.py to bravais.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/lattice/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/md/verlet.py to verlet.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/md/velocitydistribution.py to velocitydistribution.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/md/switch_langevin.py to switch_langevin.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/md/nvtberendsen.py to nvtberendsen.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/md/nptberendsen.py to nptberendsen.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/md/npt.py to npt.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/md/md.py to md.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/md/logger.py to logger.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/md/langevin.py to langevin.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/md/fix.py to fix.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/md/contour_exploration.py to contour_exploration.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/md/andersen.py to andersen.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/md/analysis.py to analysis.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/md/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/gpmin/prior.py to prior.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/gpmin/kernel.py to kernel.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/gpmin/gpmin.py to gpmin.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/gpmin/gp.py to gp.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/gpmin/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/precon/precon.py to precon.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/precon/neighbors.py to neighbors.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/precon/lbfgs.py to lbfgs.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/precon/fire.py to fire.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/precon/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/test/test.py to test.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/test/systems.py to systems.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/test/neb.py to neb.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/test/generate_rst.py to generate_rst.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/test/analyze.py to analyze.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/test/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/sciopt.py to sciopt.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/optimize.py to optimize.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/oldqn.py to oldqn.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/ode.py to ode.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/minimahopping.py to minimahopping.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/mdmin.py to mdmin.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/lbfgs.py to lbfgs.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/fire.py to fire.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/bfgslinesearch.py to bfgslinesearch.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/bfgs.py to bfgs.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/berny.py to berny.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/basin.py to basin.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/optimize/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/spacegroup/xtal.py to xtal.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/spacegroup/utils.py to utils.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/spacegroup/symmetrize.py to symmetrize.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/spacegroup/spacegroup.py to spacegroup.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/spacegroup/crystal_data.py to crystal_data.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/spacegroup/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/spectrum/dosdata.py to dosdata.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/spectrum/doscollection.py to doscollection.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/spectrum/band_structure.py to band_structure.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/spectrum/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms/test_set_get_angle.py to test_set_get_angle.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms/test_scaled_positions.py to test_scaled_positions.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms/test_rotate_euler.py to test_rotate_euler.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms/test_rotate.py to test_rotate.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms/test_permute_axes.py to test_permute_axes.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms/test_momenta_velocities.py to test_momenta_velocities.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms/test_mic.py to test_mic.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms/test_h2.py to test_h2.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms/test_get_angles.py to test_get_angles.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms/test_deprecated_get_set.py to test_deprecated_get_set.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms/test_compare_atoms.py to test_compare_atoms.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms/test_center_nonperiodic.py to test_center_nonperiodic.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms/test_center.py to test_center.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms/test_build.py to test_build.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms/test_atoms_instantiation.py to test_atoms_instantiation.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms/test_atoms_info_copy.py to test_atoms_info_copy.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms/test_atoms_getitem.py to test_atoms_getitem.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms/test_atoms_get_positions.py to test_atoms_get_positions.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms/test_atoms_get_duplicates.py to test_atoms_get_duplicates.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms/test_atoms_formula.py to test_atoms_formula.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms/test_atoms_distance.py to test_atoms_distance.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms/test_atoms_angle.py to test_atoms_angle.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms/test_atoms.py to test_atoms.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms/test_atom_scaled_pos.py to test_atom_scaled_pos.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms/test_atom.py to test_atom.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/atoms/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bandstructure/test_resolve_custom_kpoints.py to test_resolve_custom_kpoints.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bandstructure/test_bandstructure_transform_mcl.py to test_bandstructure_transform_mcl.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bandstructure/test_bandstructure_many.py to test_bandstructure_many.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bandstructure/test_bandstructure_json.py to test_bandstructure_json.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bandstructure/test_bandstructure.py to test_bandstructure.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bandstructure/test_bandpath.py to test_bandpath.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bandstructure/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bravais/test_standard_form.py to test_standard_form.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bravais/test_orcc_mcl.py to test_orcc_mcl.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bravais/test_main.py to test_main.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bravais/test_line_lattice.py to test_line_lattice.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bravais/test_lattices.py to test_lattices.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bravais/test_hex.py to test_hex.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bravais/test_eps.py to test_eps.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bravais/test_classification_engine.py to test_classification_engine.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bravais/test_2d_cell_pbc.py to test_2d_cell_pbc.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/bravais/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/build_/test_surface_terminations.py to test_surface_terminations.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/build_/test_surface_stack.py to test_surface_stack.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/build_/test_surface.py to test_surface.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/build_/test_connected.py to test_connected.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/build_/test_bulk.py to test_bulk.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/build_/test_build_bulk.py to test_build_bulk.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/build_/test_attach.py to test_attach.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/build_/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/abinit/test_main.py to test_main.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/abinit/test_abinit_cmdline.py to test_abinit_cmdline.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/abinit/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/aims/test_version.py to test_version.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/aims/test_aims_parser.py to test_aims_parser.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/aims/test_aims_interface.py to test_aims_interface.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/aims/test_H2O_aims.py to test_H2O_aims.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/aims/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/amber/test_amber.py to test_amber.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/amber/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/castep/test_castep_interface.py to test_castep_interface.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/castep/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/cp2k/test_cp2k_stress.py to test_cp2k_stress.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/cp2k/test_cp2k_restart.py to test_cp2k_restart.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/cp2k/test_cp2k_many.py to test_cp2k_many.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/cp2k/test_cp2k_dcd.py to test_cp2k_dcd.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/cp2k/test_cp2k_H2_None.py to test_cp2k_H2_None.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/cp2k/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/crystal/test_molecule.py to test_molecule.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/crystal/test_graphene.py to test_graphene.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/crystal/test_bulk.py to test_bulk.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/crystal/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/demon/test_h2o_xas_xes.py to test_h2o_xas_xes.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/demon/test_h2o.py to test_h2o.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/demon/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/dftb/test_dipole.py to test_dipole.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/dftb/test_dftb_relax_surface.py to test_dftb_relax_surface.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/dftb/test_dftb_relax_dimer.py to test_dftb_relax_dimer.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/dftb/test_dftb_relax_bulk.py to test_dftb_relax_bulk.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/dftb/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/dmol/test_water_dmol.py to test_water_dmol.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/dmol/test_Al_dmol.py to test_Al_dmol.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/dmol/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/elk/test_elk.py to test_elk.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/elk/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/espresso/test_espresso.py to test_espresso.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/espresso/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/exciting/test_exciting.py to test_exciting.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/exciting/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/fleur/test_fleur_cmdline.py to test_fleur_cmdline.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/fleur/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/gaussian/test_water.py to test_water.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/gaussian/test_optimizer_irc.py to test_optimizer_irc.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/gaussian/test_h2of.py to test_h2of.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/gaussian/test_gaussian_cmdline.py to test_gaussian_cmdline.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/gaussian/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/gpaw_/test_read_text_output.py to test_read_text_output.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/gpaw_/test_no_spin_and_spin.py to test_no_spin_and_spin.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/gpaw_/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/gromacs/test_gromacs.py to test_gromacs.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/gromacs/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/kim/test_update_coords.py to test_update_coords.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/kim/test_relax.py to test_relax.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/kim/test_multi_neighlist.py to test_multi_neighlist.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/kim/test_energy_forces_stress.py to test_energy_forces_stress.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/kim/test_cutoff_skin.py to test_cutoff_skin.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/kim/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/lammpslib/test_lammpslib_small_nonperiodic.py to test_lammpslib_small_nonperiodic.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/lammpslib/test_lammpslib_simple.py to test_lammpslib_simple.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/lammpslib/test_lammpslib_post_changebox_cmds.py to test_lammpslib_post_changebox_cmds.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/lammpslib/test_lammpslib_neighlist_bug.py to test_lammpslib_neighlist_bug.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/lammpslib/test_lammpslib_interface.py to test_lammpslib_interface.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/lammpslib/test_lammpslib_change_cell_bcs.py to test_lammpslib_change_cell_bcs.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/lammpslib/conftest.py to conftest.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/lammpslib/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/lammpsrun/test_no_data_file_wrap.py to test_no_data_file_wrap.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/lammpsrun/test_Pt_stress_cellopt.py to test_Pt_stress_cellopt.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/lammpsrun/test_Pt_md_constraints_multistep.py to test_Pt_md_constraints_multistep.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/lammpsrun/test_NaCl_minimize.py to test_NaCl_minimize.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/lammpsrun/test_Ar_minimize.py to test_Ar_minimize.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/lammpsrun/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/nwchem/test_nwchem_stress.py to test_nwchem_stress.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/nwchem/test_nwchem_spin_symmetry.py to test_nwchem_spin_symmetry.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/nwchem/test_nwchem_runmany.py to test_nwchem_runmany.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/nwchem/test_nwchem_parser.py to test_nwchem_parser.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/nwchem/test_nwchem_h3o2m.py to test_nwchem_h3o2m.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/nwchem/test_nwchem_eigenvalues.py to test_nwchem_eigenvalues.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/nwchem/test_nwchem_cmdline.py to test_nwchem_cmdline.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/nwchem/test_nwchem_broken_symmetry.py to test_nwchem_broken_symmetry.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/nwchem/test_nwchem_bands.py to test_nwchem_bands.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/nwchem/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/octopus/test_big.py to test_big.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/octopus/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/onetep/test_onetep.py to test_onetep.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/onetep/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/qchem/test_qchem_calculator.py to test_qchem_calculator.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/qchem/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/lrtddft/test_siesta_raman.py to test_siesta_raman.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/lrtddft/test_siesta_lrtddft.py to test_siesta_lrtddft.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/lrtddft/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/test_scripts/CH4/script.py to script.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/test_scripts/CH4/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/test_scripts/H2/script.py to script.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/test_scripts/H2/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/test_scripts/Na8/script.py to script.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/test_scripts/Na8/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/test_scripts/Si/script.py to script.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/test_scripts/Si/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/test_scripts/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/test_siesta_zmat.py to test_siesta_zmat.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/test_siesta_version.py to test_siesta_version.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/test_siesta_read_eigenvalues.py to test_siesta_read_eigenvalues.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/test_siesta.py to test_siesta.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/test_fdf_io.py to test_fdf_io.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/test_bands.py to test_bands.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/siesta/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/turbomole/test_turbomole_qmmm.py to test_turbomole_qmmm.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/turbomole/test_turbomole_optimizer.py to test_turbomole_optimizer.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/turbomole/test_turbomole_h3o2m.py to test_turbomole_h3o2m.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/turbomole/test_turbomole_h2o.py to test_turbomole_h2o.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/turbomole/test_turbomole_au13.py to test_turbomole_au13.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/turbomole/test_turbomole_H2.py to test_turbomole_H2.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/turbomole/test_turbomole_2h2o.py to test_turbomole_2h2o.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/turbomole/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/vasp/test_version.py to test_version.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/vasp/test_vasp_xml.py to test_vasp_xml.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/vasp/test_vasp_wdir.py to test_vasp_wdir.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/vasp/test_vasp_setup.py to test_vasp_setup.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/vasp/test_vasp_net_charge.py to test_vasp_net_charge.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/vasp/test_vasp_kpoints.py to test_vasp_kpoints.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/vasp/test_vasp_input.py to test_vasp_input.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/vasp/test_vasp_co.py to test_vasp_co.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/vasp/test_vasp_check_state.py to test_vasp_check_state.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/vasp/test_vasp_charge.py to test_vasp_charge.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/vasp/test_vasp_calculator.py to test_vasp_calculator.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/vasp/test_vasp_Al_volrelax.py to test_vasp_Al_volrelax.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/vasp/filecmp_ignore_whitespace.py to filecmp_ignore_whitespace.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/vasp/conftest.py to conftest.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/vasp/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/test_ts09.py to test_ts09.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/test_traj.py to test_traj.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/test_si_stress.py to test_si_stress.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/test_polarizability.py to test_polarizability.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/test_orca_qmmm.py to test_orca_qmmm.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/test_orca.py to test_orca.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/test_morse.py to test_morse.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/test_mopac.py to test_mopac.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/test_lj.py to test_lj.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/test_h2morse.py to test_h2morse.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/test_h2_bond_force.py to test_h2_bond_force.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/test_h2.py to test_h2.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/test_gulp_opt.py to test_gulp_opt.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/test_gulp.py to test_gulp.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/test_dftd3.py to test_dftd3.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/test_ch4_energy.py to test_ch4_energy.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/test_calculator.py to test_calculator.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/test_bond_polarizability.py to test_bond_polarizability.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/test_al.py to test_al.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/conftest.py to conftest.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/calculator/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cell/test_supercell.py to test_supercell.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cell/test_standard_form.py to test_standard_form.cpython-311.pyc
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byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cell/test_minkowski_reduce.py to test_minkowski_reduce.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cell/test_conventional_map.py to test_conventional_map.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cell/test_cell_uncompletion.py to test_cell_uncompletion.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cell/test_cell_conv.py to test_cell_conv.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cell/test_cell_completion.py to test_cell_completion.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cell/test_cell.py to test_cell.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cell/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cli/test_info.py to test_info.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cli/test_exec.py to test_exec.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cli/test_dimensionality.py to test_dimensionality.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cli/test_diff.py to test_diff.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cli/test_convert.py to test_convert.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cli/test_complete.py to test_complete.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cli/test_bzplot.py to test_bzplot.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cli/test_bandstructure.py to test_bandstructure.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cli/test_ag.py to test_ag.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cli/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints/test_setpos.py to test_setpos.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints/test_repeat_FixAtoms.py to test_repeat_FixAtoms.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints/test_parameteric_constr.py to test_parameteric_constr.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints/test_negativeindex.py to test_negativeindex.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints/test_mirror.py to test_mirror.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints/test_main.py to test_main.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints/test_hookean_pbc.py to test_hookean_pbc.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints/test_hookean.py to test_hookean.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints/test_getindices.py to test_getindices.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints/test_fixcom.py to test_fixcom.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints/test_fixbonds.py to test_fixbonds.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints/test_fixbondlength_CO2_Au111.py to test_fixbondlength_CO2_Au111.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints/test_fixatoms.py to test_fixatoms.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints/test_fix_symmetry.py to test_fix_symmetry.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints/test_fix_bond_length_mic.py to test_fix_bond_length_mic.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints/test_external_force.py to test_external_force.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints/test_CO2linear_Au111.py to test_CO2linear_Au111.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/constraints/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/db/test_update.py to test_update.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/db/test_table.py to test_table.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/db/test_sqlite.py to test_sqlite.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/db/test_sql_db_ext_tables.py to test_sql_db_ext_tables.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/db/test_o2b2o.py to test_o2b2o.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/db/test_mysql.py to test_mysql.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/db/test_metadata.py to test_metadata.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/db/test_jsondb.py to test_jsondb.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/db/test_db_web.py to test_db_web.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/db/test_db2.py to test_db2.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/db/test_db.py to test_db.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/db/test_cli.py to test_cli.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/db/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/dft/test_monoclinic.py to test_monoclinic.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/dft/test_kpts_size_offsets.py to test_kpts_size_offsets.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/dft/test_kpt_density_monkhorst_pack.py to test_kpt_density_monkhorst_pack.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/dft/test_interpolate.py to test_interpolate.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/dft/test_hex.py to test_hex.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/dft/test_dos.py to test_dos.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/dft/test_bee.py to test_bee.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/dft/test_bandgap.py to test_bandgap.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/dft/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/emt/test_emt_stress.py to test_emt_stress.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/emt/test_emt_h3o2m.py to test_emt_h3o2m.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/emt/test_emt2.py to test_emt2.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/emt/test_emt1.py to test_emt1.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/emt/test_emt.py to test_emt.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/emt/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_xyz.py to test_xyz.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_xsf_spec.py to test_xsf_spec.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_xsd_bond.py to test_xsd_bond.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_wout.py to test_wout.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_vasp_structure.py to test_vasp_structure.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_v_sim.py to test_v_sim.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_ulm_dummy.py to test_ulm_dummy.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_ulm.py to test_ulm.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_turbomole.py to test_turbomole.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_trajectory_heterogeneous.py to test_trajectory_heterogeneous.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_trajectory.py to test_trajectory.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_traj_bytesio.py to test_traj_bytesio.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_siesta.py to test_siesta.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_rmc6f.py to test_rmc6f.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_res.py to test_res.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_readwrite_errors.py to test_readwrite_errors.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_qbox.py to test_qbox.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_pycodcif_read.py to test_pycodcif_read.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_prismatic.py to test_prismatic.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_povray.py to test_povray.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_pickle_bundle_trajectory.py to test_pickle_bundle_trajectory.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_pdb_extra.py to test_pdb_extra.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_pdb_cell_io.py to test_pdb_cell_io.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_parallel.py to test_parallel.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_opls.py to test_opls.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_oldtraj.py to test_oldtraj.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_oi.py to test_oi.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_nwchem.py to test_nwchem.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_nomad.py to test_nomad.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_netcdftrajectory.py to test_netcdftrajectory.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_mustem.py to test_mustem.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_match_magic.py to test_match_magic.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_magres.py to test_magres.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_magmom.py to test_magmom.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_lammpsdump.py to test_lammpsdump.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_jsonio_atoms.py to test_jsonio_atoms.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_jsonio.py to test_jsonio.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_json_arrays.py to test_json_arrays.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_iread_path.py to test_iread_path.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_ioformats.py to test_ioformats.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_info.py to test_info.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_gpumd.py to test_gpumd.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_gpaw.py to test_gpaw.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_gen.py to test_gen.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_gaussian_out.py to test_gaussian_out.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_gaussian.py to test_gaussian.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_formats.py to test_formats.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_fileobj.py to test_fileobj.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_extxyz.py to test_extxyz.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_exciting.py to test_exciting.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_espresso.py to test_espresso.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_eon_readwrite.py to test_eon_readwrite.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_eon_multi_image_read.py to test_eon_multi_image_read.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_eon_masses.py to test_eon_masses.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_elk.py to test_elk.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_dmol.py to test_dmol.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_dlp.py to test_dlp.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_dftb.py to test_dftb.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_compression.py to test_compression.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_cml.py to test_cml.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_cifblock.py to test_cifblock.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_cif.py to test_cif.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_cfg.py to test_cfg.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_atoms_bytes.py to test_atoms_bytes.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_animate.py to test_animate.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_aims_io.py to test_aims_io.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_ace.py to test_ace.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/test_abinit.py to test_abinit.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/conftest.py to conftest.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/fio/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/forcefields/test_tipnp.py to test_tipnp.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/forcefields/test_tip4p.py to test_tip4p.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/forcefields/test_rattle_linear.py to test_rattle_linear.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/forcefields/test_rattle.py to test_rattle.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/forcefields/test_qmmm_acn.py to test_qmmm_acn.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/forcefields/test_qmmm.py to test_qmmm.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/forcefields/test_forceqmmm.py to test_forceqmmm.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/forcefields/test_counterions.py to test_counterions.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/forcefields/test_combine_mm2.py to test_combine_mm2.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/forcefields/test_combine_mm.py to test_combine_mm.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/forcefields/test_aic.py to test_aic.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/forcefields/test_acn.py to test_acn.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/forcefields/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/ga/test_utilities.py to test_utilities.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/ga/test_standardcomparator.py to test_standardcomparator.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/ga/test_slab_operators.py to test_slab_operators.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/ga/test_particle_operators.py to test_particle_operators.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/ga/test_particle_comparators.py to test_particle_comparators.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/ga/test_mutations.py to test_mutations.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/ga/test_film_operators.py to test_film_operators.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/ga/test_element_operators.py to test_element_operators.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/ga/test_database_logic.py to test_database_logic.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/ga/test_cutandsplicepairing.py to test_cutandsplicepairing.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/ga/test_create_database.py to test_create_database.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/ga/test_chain_operators.py to test_chain_operators.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/ga/test_bulk_operators.py to test_bulk_operators.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/ga/test_basic_example_main_run.py to test_basic_example_main_run.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/ga/test_add_candidates.py to test_add_candidates.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/ga/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/gui/test_run.py to test_run.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/gui/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/lammpsdata/test_lammpsdata_write.py to test_lammpsdata_write.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/lammpsdata/test_lammpsdata_read.py to test_lammpsdata_read.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/lammpsdata/parse_lammps_data_file.py to parse_lammps_data_file.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/lammpsdata/conftest.py to conftest.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/lammpsdata/comparison.py to comparison.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/lammpsdata/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/md/test_verlet_thermostats_asap.py to test_verlet_thermostats_asap.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/md/test_velocity_distribution.py to test_velocity_distribution.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/md/test_phonon_md_init.py to test_phonon_md_init.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/md/test_nvt_npt.py to test_nvt_npt.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/md/test_md_logger_interval.py to test_md_logger_interval.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/md/test_md_logger.py to test_md_logger.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/md/test_md.py to test_md.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/md/test_maxwellboltzmann.py to test_maxwellboltzmann.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/md/test_langevin_switching.py to test_langevin_switching.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/md/test_idealgas.py to test_idealgas.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/md/test_fixrotation.py to test_fixrotation.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/md/test_ce_potentiostat.py to test_ce_potentiostat.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/md/test_ce_logging.py to test_ce_logging.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/md/test_ce_curvature.py to test_ce_curvature.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/md/test_CO2linear_Au111_langevin.py to test_CO2linear_Au111_langevin.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/md/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/neb/test_shared_calculator_neb.py to test_shared_calculator_neb.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/neb/test_precon_neb.py to test_precon_neb.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/neb/test_neb_tr.py to test_neb_tr.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/neb/test_interpolate_images.py to test_interpolate_images.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/neb/test_idpp.py to test_idpp.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/neb/test_dynamic_neb.py to test_dynamic_neb.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/neb/test_autoneb.py to test_autoneb.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/neb/test_COCu111_2.py to test_COCu111_2.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/neb/test_COCu111.py to test_COCu111.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/neb/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/neighbor/test_neighbor_kernel.py to test_neighbor_kernel.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/neighbor/test_neighbor_initialization.py to test_neighbor_initialization.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/neighbor/test_neighbor.py to test_neighbor.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/neighbor/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/optimize/test_replay.py to test_replay.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/optimize/test_optimizers.py to test_optimizers.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/optimize/test_minimahop.py to test_minimahop.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/optimize/test_fire.py to test_fire.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/optimize/test_bad_restart.py to test_bad_restart.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/optimize/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/precon/test_unitcellfilter.py to test_unitcellfilter.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/precon/test_smallcell.py to test_smallcell.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/precon/test_precon_assembly.py to test_precon_assembly.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/precon/test_lbfgs.py to test_lbfgs.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/precon/test_ff_and_precon_c60.py to test_ff_and_precon_c60.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/precon/test_amin.py to test_amin.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/precon/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/spectrum/test_dosdata.py to test_dosdata.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/spectrum/test_doscollection.py to test_doscollection.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/spectrum/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/standardization/test_properties.py to test_properties.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/standardization/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/transport/test_transport_calculator.py to test_transport_calculator.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/transport/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/vibrations/test_vibrations_example.py to test_vibrations_example.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/vibrations/test_vib.py to test_vib.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/vibrations/test_profeta_albrecht.py to test_profeta_albrecht.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/vibrations/test_placzek.py to test_placzek.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/vibrations/test_pickle2json.py to test_pickle2json.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/vibrations/test_franck_condon.py to test_franck_condon.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/vibrations/test_folding.py to test_folding.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/vibrations/test_combine.py to test_combine.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/vibrations/test_bond_polarizability_raman.py to test_bond_polarizability_raman.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/vibrations/test_albrecht.py to test_albrecht.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/vibrations/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/utils.py to utils.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/testsuite.py to testsuite.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_zmatrix.py to test_zmatrix.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_xwopen.py to test_xwopen.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_xrdebye.py to test_xrdebye.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_x3d.py to test_x3d.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_wannier.py to test_wannier.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_util.py to test_util.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_timing.py to test_timing.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_things.py to test_things.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_thermochemistry.py to test_thermochemistry.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_symbols.py to test_symbols.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_structure_comparator.py to test_structure_comparator.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_stress.py to test_stress.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_stm.py to test_stm.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_springcalc.py to test_springcalc.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_singlepointcalc.py to test_singlepointcalc.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_singlepoint_dft_calc.py to test_singlepoint_dft_calc.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_s22.py to test_s22.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_root_surf.py to test_root_surf.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_quaternions.py to test_quaternions.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_pubchem.py to test_pubchem.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_properties.py to test_properties.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_pourbaix.py to test_pourbaix.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_potential_energies.py to test_potential_energies.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_phasediagram.py to test_phasediagram.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_pathlib_support.py to test_pathlib_support.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_parsemath.py to test_parsemath.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_nwchem_writer.py to test_nwchem_writer.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_noncollinear.py to test_noncollinear.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_mpi.py to test_mpi.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_mixingcalc.py to test_mixingcalc.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_minimum_image_convention.py to test_minimum_image_convention.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_matplotlib_plot.py to test_matplotlib_plot.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_makebandpath.py to test_makebandpath.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_loggingcalc.py to test_loggingcalc.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_lock.py to test_lock.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_linesearch_maxstep.py to test_linesearch_maxstep.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_lattice_lindep.py to test_lattice_lindep.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_kpts2kpts.py to test_kpts2kpts.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_kpts.py to test_kpts.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_issue276.py to test_issue276.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_isotopes.py to test_isotopes.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_imports.py to test_imports.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_hcp.py to test_hcp.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_geometry_derivatives.py to test_geometry_derivatives.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_geometry.py to test_geometry.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_formula.py to test_formula.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_forcecurve.py to test_forcecurve.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_filecache.py to test_filecache.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_external_viewer.py to test_external_viewer.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_example.py to test_example.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_eos.py to test_eos.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_eam_run.py to test_eam_run.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_eam.py to test_eam.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_dos.py to test_dos.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_doctests.py to test_doctests.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_distmom.py to test_distmom.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_distance.py to test_distance.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_dimer_method.py to test_dimer_method.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_dimer.py to test_dimer.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_dimensionality.py to test_dimensionality.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_diffusion_coefficient.py to test_diffusion_coefficient.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_cutoffs.py to test_cutoffs.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_cluster.py to test_cluster.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_checkpoint.py to test_checkpoint.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_calculator_label.py to test_calculator_label.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_calculator_equal.py to test_calculator_equal.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_calc_properties.py to test_calc_properties.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_calc_outputs_big.py to test_calc_outputs_big.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_basin.py to test_basin.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_bandpath_kpts_axis.py to test_bandpath_kpts_axis.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_bandgap.py to test_bandgap.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_bader.py to test_bader.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/test_analysis.py to test_analysis.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/factories.py to factories.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/conftest.py to conftest.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/transport/tools.py to tools.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/transport/stm.py to stm.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/transport/selfenergy.py to selfenergy.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/transport/greenfunction.py to greenfunction.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/transport/calculators.py to calculators.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/transport/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils/xrdebye.py to xrdebye.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils/timing.py to timing.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils/structure_comparator.py to structure_comparator.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils/sphinx.py to sphinx.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils/plotting.py to plotting.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils/parsemath.py to parsemath.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils/newrelease.py to newrelease.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils/linesearcharmijo.py to linesearcharmijo.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils/linesearch.py to linesearch.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils/geometry.py to geometry.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils/forcecurve.py to forcecurve.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils/filecache.py to filecache.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils/ff.py to ff.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils/extrapolate.py to extrapolate.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils/eos.py to eos.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils/distance.py to distance.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils/deltacodesdft.py to deltacodesdft.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils/cext.py to cext.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils/build_web_page.py to build_web_page.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils/bee.py to bee.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils/arraywrapper.py to arraywrapper.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/utils/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/vibrations/vibrations.py to vibrations.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/vibrations/resonant_raman.py to resonant_raman.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/vibrations/raman.py to raman.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/vibrations/placzek.py to placzek.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/vibrations/pickle2json.py to pickle2json.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/vibrations/infrared.py to infrared.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/vibrations/franck_condon.py to franck_condon.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/vibrations/data.py to data.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/vibrations/albrecht.py to albrecht.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/vibrations/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/visualize/x3d.py to x3d.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/visualize/sage.py to sage.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/visualize/plot.py to plot.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/visualize/paraview_script.py to paraview_script.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/visualize/ngl.py to ngl.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/visualize/mlab.py to mlab.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/visualize/external.py to external.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/visualize/__init__.py to __init__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/units.py to units.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/thermochemistry.py to thermochemistry.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/symbols.py to symbols.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/structure.py to structure.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/stress.py to stress.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/quaternions.py to quaternions.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/phonons.py to phonons.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/phasediagram.py to phasediagram.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/parallel.py to parallel.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/outputs.py to outputs.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/nomad.py to nomad.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/neighborlist.py to neighborlist.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/neb.py to neb.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/formula.py to formula.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/eos.py to eos.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/dyneb.py to dyneb.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/dimer.py to dimer.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/dependencies.py to dependencies.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/constraints.py to constraints.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/cell.py to cell.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/autoneb.py to autoneb.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/atoms.py to atoms.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/atom.py to atom.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/__main__.py to __main__.cpython-311.pyc
byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/__init__.py to __init__.cpython-311.pyc
writing byte-compilation script '/tmp/tmpb725i_w3.py'
/usr/bin/python3 /tmp/tmpb725i_w3.py
removing /tmp/tmpb725i_w3.py
running install_egg_info
running egg_info
creating ase.egg-info
writing ase.egg-info/PKG-INFO
writing dependency_links to ase.egg-info/dependency_links.txt
writing entry points to ase.egg-info/entry_points.txt
writing requirements to ase.egg-info/requires.txt
writing top-level names to ase.egg-info/top_level.txt
writing manifest file 'ase.egg-info/SOURCES.txt'
reading manifest file 'ase.egg-info/SOURCES.txt'
reading manifest template 'MANIFEST.in'
adding license file 'LICENSE'
adding license file 'COPYING'
adding license file 'COPYING.LESSER'
writing manifest file 'ase.egg-info/SOURCES.txt'
Copying ase.egg-info to /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase-3.22.1-py3.11.egg-info
running install_scripts
Installing ase script to /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/bin
Installing ase-build script to /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/bin
Installing ase-db script to /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/bin
Installing ase-gui script to /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/bin
Installing ase-info script to /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/bin
Installing ase-run script to /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/bin
+ mkdir -p /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/share/applications
+ desktop-file-install --dir /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/share/applications ase-gui.desktop
+ mkdir -p /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/share/pixmaps
+ install -p -m 644 ase.png /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/share/pixmaps
+ mkdir /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/share
+ cp -rp /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/po /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/share/locale
+ /usr/lib/rpm/find-lang.sh /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64 ag
+ rm -rf /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/gui/share
+ sed -i 's|share/locale|po|g' ag.lang
+ find /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase -type d
+ xargs -I _file echo '%dir _file'
+ find /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase -type f '!' -name '*.mo'
+ cat ag.lang d3.list f3.list
+ sed -i 's|/builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64||g' files3.list
+ /usr/bin/find-debuginfo -j2 --strict-build-id -m -i --build-id-seed 3.22.1-4.fc38 --unique-debug-suffix -3.22.1-4.fc38.x86_64 --unique-debug-src-base python-ase-3.22.1-4.fc38.x86_64 --run-dwz --dwz-low-mem-die-limit 10000000 --dwz-max-die-limit 110000000 -S debugsourcefiles.list /builddir/build/BUILD/ase-3.22.1
find: 'debug': No such file or directory
+ /usr/lib/rpm/check-buildroot
+ /usr/lib/rpm/redhat/brp-ldconfig
+ /usr/lib/rpm/brp-compress
+ /usr/lib/rpm/redhat/brp-strip-lto /usr/bin/strip
+ /usr/lib/rpm/brp-strip-static-archive /usr/bin/strip
+ /usr/lib/rpm/check-rpaths
+ /usr/lib/rpm/redhat/brp-mangle-shebangs
+ /usr/lib/rpm/brp-remove-la-files
+ /usr/lib/rpm/redhat/brp-python-bytecompile '' 1 0
Bytecompiling .py files below /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11 using python3.11
+ /usr/lib/rpm/redhat/brp-python-hardlink
Executing(%check): /bin/sh -e /var/tmp/rpm-tmp.RpaBgw
+ umask 022
+ cd /builddir/build/BUILD
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64  -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection'
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64  -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection'
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64  -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules'
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64  -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib64/gfortran/modules'
+ export FCFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -Wl,-dT,/builddir/build/BUILD/ase-3.22.1/.package_note-python-ase-3.22.1-4.fc38.x86_64.ld'
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ '[' -f /usr/lib/rpm/generate-rpm-note.sh ']'
+ /usr/lib/rpm/generate-rpm-note.sh python-ase 3.22.1-4.fc38 x86_64
+ cd ase-3.22.1
++ pwd
+ export PYTHONPATH=/builddir/build/BUILD/ase-3.22.1/build/lib
+ PYTHONPATH=/builddir/build/BUILD/ase-3.22.1/build/lib
++ pwd
+ export PATH=/builddir/build/BUILD/ase-3.22.1/bin:/builddir/.local/bin:/builddir/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin
+ PATH=/builddir/build/BUILD/ase-3.22.1/bin:/builddir/.local/bin:/builddir/bin:/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin
++ which python3
++ pwd
+ ln -s /usr/bin/python3 /builddir/build/BUILD/ase-3.22.1/bin/python
+ LC_ALL=C.UTF-8
+ python -m ase test --verbose --pytest -W ignore -W once::DeprecationWarning
About to run pytest with these parameters:
    -v
    --capture=no
    -W
    ignore
    -W
    once::DeprecationWarning
============================= test session starts ==============================
platform linux -- Python 3.11.0rc1, pytest-7.1.2, pluggy-1.0.0 -- /builddir/build/BUILD/ase-3.22.1/bin/python
cachedir: .pytest_cache
Libraries
=========
ase-3.22.1               /builddir/build/BUILD/ase-3.22.1/ase
numpy-1.22.0             /usr/lib64/python3.11/site-packages/numpy
scipy-1.8.1              /usr/lib64/python3.11/site-packages/scipy
matplotlib               not installed
spglib                   not installed
ase_ext                  not installed
flask                    not installed
psycopg2                 not installed
pyamg                    not installed
Calculators
===========
Config: No configuration file specified
Datafiles: ase-datafiles package not installed
  [ ] abinit           not installed
  [ ] aims             not installed
  [ ] asap             not installed
  [ ] castep           not installed
  [ ] cp2k             not installed
  [ ] dftb             not installed
  [ ] dftd3            not installed
  [ ] elk              not installed
  [ ] espresso         not installed
  [ ] exciting         not installed
  [ ] gpaw             not installed
  [ ] gromacs          not installed
  [ ] lammpslib        not installed
  [ ] lammpsrun        not installed
  [ ] nwchem           not installed
  [ ] octopus          not installed
  [ ] openmx           not installed
  [ ] siesta           not installed
  [ ] vasp             not installed
 * Use --calculators option to select calculators.
 * See "ase test --help-calculators" on how to configure calculators.
 * This listing only includes external calculators known by the test
   system.  Others are "configured" by setting an environment variable
   like "ASE_xxx_COMMAND" in order to allow tests to run.  Please see
   the documentation of that individual calculator.
rootdir: /builddir/build/BUILD/ase-3.22.1/ase/test, configfile: pytest.ini
plugins: mock-3.8.2
collecting ... ase.atom
ase.atoms
ase.autoneb
ase.cell
ase.constraints
ase.dependencies
ase.dimer
ase.dyneb
ase.eos
ase.formula
ase.neb
ase.neighborlist
ase.nomad
ase.outputs
ase.parallel
ase.phasediagram
ase.phonons
ase.quaternions
ase.stress
ase.structure
ase.symbols
ase.thermochemistry
ase.units
ase.visualize.external
ase.visualize.mlab
ase.visualize.ngl
ase.visualize.paraview_script
ase.visualize.plot
ase.visualize.sage
ase.visualize.x3d
ase.vibrations.albrecht
ase.vibrations.data
ase.vibrations.franck_condon
ase.vibrations.infrared
ase.vibrations.pickle2json
ase.vibrations.placzek
ase.vibrations.raman
ase.vibrations.resonant_raman
ase.vibrations.vibrations
ase.utils.arraywrapper
ase.utils.bee
ase.utils.build_web_page
ase.utils.cext
ase.utils.deltacodesdft
ase.utils.distance
ase.utils.eos
ase.utils.extrapolate
ase.utils.ff
ase.utils.filecache
ase.utils.forcecurve
ase.utils.geometry
ase.utils.linesearch
ase.utils.linesearcharmijo
ase.utils.newrelease
ase.utils.parsemath
ase.utils.plotting
ase.utils.sphinx
ase.utils.structure_comparator
ase.utils.timing
ase.utils.xrdebye
ase.transport.calculators
ase.transport.greenfunction
ase.transport.selfenergy
ase.transport.stm
ase.transport.tools
ase.spectrum.band_structure
ase.spectrum.doscollection
ase.spectrum.dosdata
ase.spacegroup.crystal_data
ase.spacegroup.spacegroup
ase.spacegroup.symmetrize
ase.spacegroup.utils
ase.spacegroup.xtal
ase.optimize.basin
ase.optimize.berny
ase.optimize.bfgs
ase.optimize.bfgslinesearch
ase.optimize.fire
ase.optimize.lbfgs
ase.optimize.mdmin
ase.optimize.minimahopping
ase.optimize.ode
ase.optimize.oldqn
ase.optimize.optimize
ase.optimize.sciopt
ase.optimize.test.analyze
ase.optimize.test.generate_rst
ase.optimize.test.neb
ase.optimize.test.systems
ase.optimize.test.test
ase.optimize.precon.fire
ase.optimize.precon.lbfgs
ase.optimize.precon.neighbors
ase.optimize.precon.precon
ase.optimize.gpmin.gp
ase.optimize.gpmin.gpmin
ase.optimize.gpmin.kernel
ase.optimize.gpmin.prior
ase.md.analysis
ase.md.andersen
ase.md.contour_exploration
ase.md.fix
ase.md.langevin
ase.md.logger
ase.md.md
ase.md.npt
ase.md.nptberendsen
ase.md.nvtberendsen
ase.md.switch_langevin
ase.md.velocitydistribution
ase.md.verlet
ase.lattice.bravais
ase.lattice.compounds
ase.lattice.cubic
ase.lattice.hexagonal
ase.lattice.monoclinic
ase.lattice.orthorhombic
ase.lattice.spacegroup
ase.lattice.surface
ase.lattice.tetragonal
ase.lattice.triclinic
ase.io.abinit
ase.io.acemolecule
ase.io.aff
ase.io.aims
ase.io.animation
ase.io.bader
ase.io.bundlemanipulate
ase.io.bundletrajectory
ase.io.bytes
ase.io.castep
ase.io.cfg
ase.io.cif
ase.io.cif_unicode
ase.io.cmdft
ase.io.cml
ase.io.cp2k
ase.io.crystal
ase.io.cube
ase.io.dacapo
ase.io.db
ase.io.dftb
ase.io.dlp4
ase.io.dmol
ase.io.elk
ase.io.eon
ase.io.eps
ase.io.espresso
ase.io.exciting
ase.io.extxyz
ase.io.findsym
ase.io.formats
ase.io.fortranfile
ase.io.gamess_us
ase.io.gaussian
ase.io.gen
ase.io.gpaw_out
ase.io.gpumd
ase.io.gpw
ase.io.gromacs
ase.io.gromos
ase.io.jsonio
ase.io.jsv
ase.io.lammpsdata
ase.io.lammpsrun
ase.io.magres
ase.io.mol
ase.io.mustem
ase.io.netcdftrajectory
ase.io.nomad_json
ase.io.opls
ase.io.orca
ase.io.pickletrajectory
ase.io.png
ase.io.pov
ase.io.prismatic
ase.io.proteindatabank
ase.io.py
ase.io.qbox
ase.io.res
ase.io.rmc6f
ase.io.sdf
ase.io.siesta
ase.io.sys
ase.io.trajectory
ase.io.turbomole
ase.io.ulm
ase.io.utils
ase.io.v_sim
ase.io.vasp
ase.io.vtkxml
ase.io.wannier90
ase.io.wien2k
ase.io.x3d
ase.io.xsd
ase.io.xsf
ase.io.xtd
ase.io.xyz
ase.io.zmatrix
ase.io.vasp_parsers.vasp_outcar_parsers
ase.io.octopus.input
ase.io.octopus.output
ase.io.nwchem.nwreader
ase.io.nwchem.nwreader_in
ase.io.nwchem.nwwriter
ase.io.nwchem.parser
ase.gui.add
ase.gui.ag
ase.gui.celleditor
ase.gui.clipboard
ase.gui.colors
ase.gui.constraints
ase.gui.defaults
ase.gui.graphs
ase.gui.gui
ase.gui.i18n
ase.gui.images
ase.gui.modify
ase.gui.movie
ase.gui.nanoparticle
ase.gui.nanotube
ase.gui.pipe
ase.gui.quickinfo
ase.gui.render
ase.gui.repeat
ase.gui.rotate
ase.gui.save
ase.gui.settings
ase.gui.status
ase.gui.surfaceslab
ase.gui.ui
ase.gui.utils
ase.gui.view
ase.gui.widgets
ase.geometry.analysis
ase.geometry.bravais_type_engine
ase.geometry.cell
ase.geometry.distance
ase.geometry.geometry
ase.geometry.minkowski_reduction
ase.geometry.dimensionality.bond_generator
ase.geometry.dimensionality.disjoint_set
ase.geometry.dimensionality.interval_analysis
ase.geometry.dimensionality.isolation
ase.geometry.dimensionality.rank_determination
ase.geometry.dimensionality.topology_scaling
ase.ga.bulk_crossovers
ase.ga.bulk_mutations
ase.ga.bulk_startgenerator
ase.ga.bulk_utilities
ase.ga.convergence
ase.ga.cutandsplicepairing
ase.ga.data
ase.ga.element_crossovers
ase.ga.element_mutations
ase.ga.multiprocessingrun
ase.ga.offspring_creator
ase.ga.ofp_comparator
ase.ga.parallellocalrun
ase.ga.particle_comparator
ase.ga.particle_crossovers
ase.ga.particle_mutations
ase.ga.pbs_queue_run
ase.ga.population
ase.ga.relax_attaches
ase.ga.slab_operators
ase.ga.soft_mutation
ase.ga.standard_comparators
ase.ga.standardmutations
ase.ga.startgenerator
ase.ga.utilities
ase.dft.band_structure
ase.dft.bandgap
ase.dft.bee
ase.dft.bz
ase.dft.dos
ase.dft.kpoints
ase.dft.pars_beefvdw
ase.dft.pars_mbeef
ase.dft.pars_mbeefvdw
ase.dft.stm
ase.dft.wannier
ase.db.app
ase.db.cli
ase.db.convert
ase.db.core
ase.db.jsondb
ase.db.mysql
ase.db.postgresql
ase.db.row
ase.db.sqlite
ase.db.table
ase.db.web
ase.data.cccbdb_ip
ase.data.colors
ase.data.dbh24
ase.data.extra_molecules
ase.data.g2
ase.data.g2_1
ase.data.g2_1_ref
ase.data.g2_1_ref_g03
ase.data.g2_1_ref_vasp
ase.data.g2_1_ref_wien97
ase.data.g2_2
ase.data.isotopes
ase.data.molecules
ase.data.pubchem
ase.data.s22
ase.data.vdw
ase.data.vdw_alvarez
ase.collections.collection
ase.collections.create
ase.cluster.base
ase.cluster.cluster
ase.cluster.compounds
ase.cluster.cubic
ase.cluster.decahedron
ase.cluster.factory
ase.cluster.hexagonal
ase.cluster.icosahedron
ase.cluster.octahedron
ase.cluster.util
ase.cluster.wulff
ase.cli.band_structure
ase.cli.build
ase.cli.complete
ase.cli.completion
ase.cli.convert
ase.cli.diff
ase.cli.dimensionality
ase.cli.exec
ase.cli.find
ase.cli.info
ase.cli.main
ase.cli.nebplot
ase.cli.nomad
ase.cli.nomadget
ase.cli.reciprocal
ase.cli.run
ase.cli.template
ase.calculators.abc
ase.calculators.abinit
ase.calculators.acemolecule
ase.calculators.acn
ase.calculators.aims
ase.calculators.amber
ase.calculators.autodetect
ase.calculators.bond_polarizability
ase.calculators.calculator
ase.calculators.castep
ase.calculators.checkpoint
ase.calculators.combine_mm
ase.calculators.counterions
ase.calculators.cp2k
ase.calculators.crystal
ase.calculators.demonnano
ase.calculators.dftb
ase.calculators.dftd3
ase.calculators.dmol
ase.calculators.eam
ase.calculators.elk
ase.calculators.emt
ase.calculators.espresso
ase.calculators.excitation_list
ase.calculators.exciting
ase.calculators.ff
ase.calculators.fleur
ase.calculators.gamess_us
ase.calculators.gaussian
ase.calculators.general
ase.calculators.gromacs
ase.calculators.gulp
ase.calculators.h2morse
ase.calculators.harmonic
ase.calculators.idealgas
ase.calculators.interface
ase.calculators.lammpslib
ase.calculators.lammpsrun
ase.calculators.lj
ase.calculators.loggingcalc
ase.calculators.mixing
ase.calculators.mopac
ase.calculators.morse
ase.calculators.neighborlist
ase.calculators.nwchem
ase.calculators.octopus
ase.calculators.onetep
ase.calculators.orca
ase.calculators.psi4
ase.calculators.qchem
ase.calculators.qmmm
ase.calculators.singlepoint
ase.calculators.socketio
ase.calculators.test
ase.calculators.tip3p
ase.calculators.tip4p
ase.calculators.turbomole
ase.calculators.vdwcorrection
ase.calculators.vasp.create_input
ase.calculators.vasp.interactive
ase.calculators.vasp.setups
ase.calculators.vasp.vasp
ase.calculators.vasp.vasp2
ase.calculators.vasp.vasp_auxiliary
ase.calculators.vasp.vasp_data
ase.calculators.siesta.base_siesta
ase.calculators.siesta.import_functions
ase.calculators.siesta.import_ion_xml
ase.calculators.siesta.parameters
ase.calculators.siesta.siesta
ase.calculators.siesta.siesta_lrtddft
ase.calculators.openmx.default_settings
ase.calculators.openmx.dos
ase.calculators.openmx.openmx
ase.calculators.openmx.parameters
ase.calculators.openmx.reader
ase.calculators.openmx.writer
ase.calculators.lammps.coordinatetransform
ase.calculators.lammps.inputwriter
ase.calculators.lammps.unitconvert
ase.calculators.lammps.unitconvert_constants
ase.calculators.kim.calculators
ase.calculators.kim.exceptions
ase.calculators.kim.kim
ase.calculators.kim.kimmodel
ase.calculators.kim.kimpy_wrappers
ase.calculators.kim.neighborlist
ase.calculators.demon.demon
ase.calculators.demon.demon_io
ase.build.attach
ase.build.bulk
ase.build.connected
ase.build.general_surface
ase.build.molecule
ase.build.ribbon
ase.build.root
ase.build.rotate
ase.build.supercells
ase.build.surface
ase.build.surfaces_with_termination
ase.build.tools
ase.build.tube
collected 2079 items / 1 skipped
test_analysis.py::test_analysis PASSEDGlobal seed for "test/test_analysis.py:test_analysis" was: 7960
test_bader.py::test_bader Atom O Bader charge -1.0852000000000004
Atom H Bader charge 0.5426
Atom H Bader charge 0.5426
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_bader0
Global seed for "test/test_bader.py:test_bader" was: 7998
test_bandgap.py::test_bandgap Gap: 2.000 eV
Transition (v -> c):
  (s=0, k=0, n=0, [0.00, 0.00, 0.00]) -> (s=0, k=0, n=1, [0.00, 0.00, 0.00])
Direct gap: 2.000 eV
Transition at: (s=0, k=0, n=0, [0.00, 0.00, 0.00])
Gap: 2.000 eV
Transition (v -> c):
  (s=0, k=0, n=0, [0.00, 0.00, 0.00]) -> (s=0, k=1, n=1, [1.00, 0.00, 0.00])
Direct gap: 3.000 eV
Transition at: (s=0, k=0, n=0, [0.00, 0.00, 0.00])
No gap
No gap
No gap
No gap
spin=0: No gap
spin=0: No gap
spin=1: Gap: 2.000 eV
Transition (v -> c):
  (s=1, k=0, n=0, [0.00, 0.00, 0.00]) -> (s=1, k=1, n=1, [1.00, 0.00, 0.00])
spin=1: Direct gap: 3.000 eV
Transition at: (s=1, k=0, n=0, [0.00, 0.00, 0.00])
Gap: 2.000 eV
Transition (v -> c):
  (s=0, k=0, n=0, [0.00, 0.00, 0.00]) -> (s=1, k=1, n=1, [1.00, 0.00, 0.00])
Direct gap: 3.000 eV
Transition at: (s=0->1, k=1, n=0, [1.00, 0.00, 0.00])
spin=0: Gap: 3.000 eV
Transition (v -> c):
  (s=0, k=0, n=0, [0.00, 0.00, 0.00]) -> (s=0, k=1, n=1, [1.00, 0.00, 0.00])
spin=0: Direct gap: 4.000 eV
Transition at: (s=0, k=1, n=0, [1.00, 0.00, 0.00])
spin=1: Gap: 3.000 eV
Transition (v -> c):
  (s=1, k=0, n=0, [0.00, 0.00, 0.00]) -> (s=1, k=1, n=1, [1.00, 0.00, 0.00])
spin=1: Direct gap: 5.000 eV
Transition at: (s=1, k=1, n=0, [1.00, 0.00, 0.00])
Gap: 2.000 eV
Transition (v -> c):
  (s=0, k=0, n=2, [0.00, 0.00, 0.00]) -> (s=1, k=0, n=1, [0.00, 0.00, 0.00])
Direct gap: 2.000 eV
Transition at: (s=1, k=0, n=0, [0.00, 0.00, 0.00])
spin=0: Gap: 3.000 eV
Transition (v -> c):
  (s=0, k=0, n=2, [0.00, 0.00, 0.00]) -> (s=0, k=0, n=3, [0.00, 0.00, 0.00])
spin=0: Direct gap: 3.000 eV
Transition at: (s=0, k=0, n=2, [0.00, 0.00, 0.00])
spin=1: Gap: 2.000 eV
Transition (v -> c):
  (s=1, k=0, n=0, [0.00, 0.00, 0.00]) -> (s=1, k=0, n=1, [0.00, 0.00, 0.00])
spin=1: Direct gap: 2.000 eV
Transition at: (s=1, k=0, n=0, [0.00, 0.00, 0.00])
PASSEDGlobal seed for "test/test_bandgap.py:test_bandgap" was: 503
test_bandpath_kpts_axis.py::test_bandpath_kpts_axis PASSEDGlobal seed for "test/test_bandpath_kpts_axis.py:test_bandpath_kpts_axis" was: 11420
test_basin.py::test_basin BasinHopping: step -1, energy      -15.417786, emin      -15.417786
BasinHopping: step 0, energy      -15.417509, emin      -15.417786
BasinHopping: step 1, energy      -15.819783, emin      -15.819783
BasinHopping: step 2, energy      -16.390066, emin      -16.390066
BasinHopping: step 3, energy      -16.390210, emin      -16.390210
BasinHopping: step 4, energy      -14.481582, emin      -16.390210
BasinHopping: step 5, energy      -16.390078, emin      -16.390210
BasinHopping: step 6, energy      -16.390246, emin      -16.390246
BasinHopping: step 7, energy      -15.417749, emin      -16.390246
BasinHopping: step 8, energy      -15.477364, emin      -16.390246
BasinHopping: step 9, energy      -10.056238, emin      -16.390246
N= 7 minimal energy found -16.390246263430754  global minimum: -16.505384
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_basin0
Global seed for "test/test_basin.py:test_basin" was: 9041
test_calc_outputs_big.py::test_properties_big natoms 4
energy 0.2946650026871097
energies [0.19152079 0.06790036 0.78698546 0.65633352]
free_energy 0.5305867556052941
forces [[0.6375209  0.57560289 0.03906292]
 [0.3578136  0.94568319 0.06004468]
 [0.8640421  0.87729053 0.05119367]
 [0.65241862 0.55175137 0.59751325]]
stress [0.48352862 0.28298816 0.29772572 0.56150891 0.39604744 0.78870071]
stresses [[0.41848439 0.14390392 0.15090669 0.05524135 0.71803719 0.29231735]
 [0.19877387 0.83136392 0.56799112 0.08233975 0.54499857 0.15895874]
 [0.67676239 0.11847226 0.44499607 0.88798243 0.79726773 0.06797873]
 [0.96078776 0.65920539 0.71877608 0.74357677 0.88773635 0.13394567]]
nbands 5
nkpts 3
nspins 2
fermi_level 0.44895006829702844
kpoint_weights [0.30893876 0.96663015 0.48285467]
ibz_kpoints [[0.89728727 0.49310234 0.50447752]
 [0.36512365 0.78300612 0.94792302]
 [0.13001501 0.66111267 0.16373231]]
eigenvalues [[[0.77697458 0.83799151 0.82930476 0.029157   0.39037449]
  [0.43725199 0.52063506 0.49287267 0.13042928 0.98438353]
  [0.06570232 0.57928408 0.58077483 0.95433787 0.19744378]]
 [[0.0833254  0.88386422 0.01569619 0.79559465 0.76819044]
  [0.87204379 0.91611009 0.27381319 0.23638113 0.31051984]
  [0.71564326 0.08273549 0.67548644 0.85852467 0.69289688]]]
occupations [[[0.78508369 0.35328125 0.22019207 0.24537239 0.72741252]
  [0.06412777 0.45373746 0.48767733 0.64087483 0.10616885]
  [0.57360994 0.96034579 0.51568058 0.56982505 0.98800666]]
 [[0.83287094 0.49814368 0.08015134 0.87104699 0.71308641]
  [0.73211204 0.82361999 0.74497921 0.41306263 0.51470533]
  [0.8465415  0.85886206 0.31050361 0.11938639 0.52095948]]]
PASSEDGlobal seed for "test/test_calc_outputs_big.py:test_properties_big" was: 5260
test_calc_properties.py::test_print_props[natoms] Property('natoms', dtype=int, shape=[])
PASSEDGlobal seed for "test/test_calc_properties.py:test_print_props" was: 7460
test_calc_properties.py::test_print_props[energy] Property('energy', dtype=float, shape=[])
PASSEDGlobal seed for "test/test_calc_properties.py:test_print_props" was: 7460
test_calc_properties.py::test_print_props[energies] Property('energies', dtype=float, shape=[natoms])
PASSEDGlobal seed for "test/test_calc_properties.py:test_print_props" was: 7460
test_calc_properties.py::test_print_props[free_energy] Property('free_energy', dtype=float, shape=[])
PASSEDGlobal seed for "test/test_calc_properties.py:test_print_props" was: 7460
test_calc_properties.py::test_print_props[forces] Property('forces', dtype=float, shape=[natoms, 3])
PASSEDGlobal seed for "test/test_calc_properties.py:test_print_props" was: 7460
test_calc_properties.py::test_print_props[stress] Property('stress', dtype=float, shape=[6])
PASSEDGlobal seed for "test/test_calc_properties.py:test_print_props" was: 7460
test_calc_properties.py::test_print_props[stresses] Property('stresses', dtype=float, shape=[natoms, 6])
PASSEDGlobal seed for "test/test_calc_properties.py:test_print_props" was: 7460
test_calc_properties.py::test_print_props[nbands] Property('nbands', dtype=int, shape=[])
PASSEDGlobal seed for "test/test_calc_properties.py:test_print_props" was: 7460
test_calc_properties.py::test_print_props[nkpts] Property('nkpts', dtype=int, shape=[])
PASSEDGlobal seed for "test/test_calc_properties.py:test_print_props" was: 7460
test_calc_properties.py::test_print_props[nspins] Property('nspins', dtype=int, shape=[])
PASSEDGlobal seed for "test/test_calc_properties.py:test_print_props" was: 7460
test_calc_properties.py::test_print_props[fermi_level] Property('fermi_level', dtype=float, shape=[])
PASSEDGlobal seed for "test/test_calc_properties.py:test_print_props" was: 7460
test_calc_properties.py::test_print_props[kpoint_weights] Property('kpoint_weights', dtype=float, shape=[nkpts])
PASSEDGlobal seed for "test/test_calc_properties.py:test_print_props" was: 7460
test_calc_properties.py::test_print_props[ibz_kpoints] Property('ibz_kpoints', dtype=float, shape=[nkpts, 3])
PASSEDGlobal seed for "test/test_calc_properties.py:test_print_props" was: 7460
test_calc_properties.py::test_print_props[eigenvalues] Property('eigenvalues', dtype=float, shape=[nspins, nkpts, nbands])
PASSEDGlobal seed for "test/test_calc_properties.py:test_print_props" was: 7460
test_calc_properties.py::test_print_props[occupations] Property('occupations', dtype=float, shape=[nspins, nkpts, nbands])
PASSEDGlobal seed for "test/test_calc_properties.py:test_print_props" was: 7460
test_calc_properties.py::test_props (Properties({'natoms': 7, 'forces': array([[0., 0., 0.],
       [0., 0., 0.],
       [0., 0., 0.],
       [0., 0., 0.],
       [0., 0., 0.],
       [0., 0., 0.],
       [0., 0., 0.]])})
PASSEDGlobal seed for "test/test_calc_properties.py:test_props" was: 761
test_calc_properties.py::test_props_set_twice PASSEDGlobal seed for "test/test_calc_properties.py:test_props_set_twice" was: 68
test_calc_properties.py::test_props_set_consistent PASSEDGlobal seed for "test/test_calc_properties.py:test_props_set_consistent" was: 9897
test_calc_properties.py::test_props_set_inconsistent PASSEDGlobal seed for "test/test_calc_properties.py:test_props_set_inconsistent" was: 11245
test_calc_properties.py::test_array_badvalue[val0] PASSEDGlobal seed for "test/test_calc_properties.py:test_array_badvalue" was: 5980
test_calc_properties.py::test_array_badvalue[val1] PASSEDGlobal seed for "test/test_calc_properties.py:test_array_badvalue" was: 5980
test_calc_properties.py::test_array_badtype[5] PASSEDGlobal seed for "test/test_calc_properties.py:test_array_badtype" was: 8573
test_calc_properties.py::test_array_good[val0] PASSEDGlobal seed for "test/test_calc_properties.py:test_array_good" was: 8167
test_calc_properties.py::test_array_good[val1] PASSEDGlobal seed for "test/test_calc_properties.py:test_array_good" was: 8167
test_calc_properties.py::test_array_good[val2] PASSEDGlobal seed for "test/test_calc_properties.py:test_array_good" was: 8167
test_calc_properties.py::test_float_badtype[val0] PASSEDGlobal seed for "test/test_calc_properties.py:test_float_badtype" was: 5599
test_calc_properties.py::test_float_badtype[val1] PASSEDGlobal seed for "test/test_calc_properties.py:test_float_badtype" was: 5599
test_calc_properties.py::test_float_badtype[val2] PASSEDGlobal seed for "test/test_calc_properties.py:test_float_badtype" was: 5599
test_calc_properties.py::test_float_badtype[1j] PASSEDGlobal seed for "test/test_calc_properties.py:test_float_badtype" was: 5599
test_calc_properties.py::test_float_badtype[None] PASSEDGlobal seed for "test/test_calc_properties.py:test_float_badtype" was: 5599
test_calc_properties.py::test_float_badvalue[hello] PASSEDGlobal seed for "test/test_calc_properties.py:test_float_badvalue" was: 5742
test_calc_properties.py::test_float_good[4.0] PASSEDGlobal seed for "test/test_calc_properties.py:test_float_good" was: 9330
test_calc_properties.py::test_float_good[42] PASSEDGlobal seed for "test/test_calc_properties.py:test_float_good" was: 9330
test_calc_properties.py::test_float_good[nan] PASSEDGlobal seed for "test/test_calc_properties.py:test_float_good" was: 9330
test_calc_properties.py::test_float_good[42.0] PASSEDGlobal seed for "test/test_calc_properties.py:test_float_good" was: 9330
test_calculator_equal.py::test_single_value[None-None-1-1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[None-None-1-1.0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[None-None-1.0-1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[None-None-1.0-1.0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[None-0-1-1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[None-0-1-1.0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[None-0-1.0-1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[None-0-1.0-1.0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[None-1e-08-1-1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[None-1e-08-1-1.0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[None-1e-08-1.0-1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[None-1e-08-1.0-1.0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[0-None-1-1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[0-None-1-1.0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[0-None-1.0-1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[0-None-1.0-1.0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[0-0-1-1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[0-0-1-1.0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[0-0-1.0-1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[0-0-1.0-1.0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[0-1e-08-1-1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[0-1e-08-1-1.0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[0-1e-08-1.0-1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[0-1e-08-1.0-1.0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[1e-08-None-1-1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[1e-08-None-1-1.0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[1e-08-None-1.0-1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[1e-08-None-1.0-1.0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[1e-08-0-1-1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[1e-08-0-1-1.0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[1e-08-0-1.0-1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[1e-08-0-1.0-1.0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[1e-08-1e-08-1-1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[1e-08-1e-08-1-1.0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[1e-08-1e-08-1.0-1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_single_value[1e-08-1e-08-1.0-1.0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_single_value" was: 1433
test_calculator_equal.py::test_array_equal[None-None-b0-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-None-b0-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-None-b0-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-None-b0-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-None-b1-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-None-b1-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-None-b1-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-None-b1-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-None-b2-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-None-b2-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-None-b2-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-None-b2-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-None-b3-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-None-b3-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-None-b3-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-None-b3-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-0-b0-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-0-b0-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-0-b0-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-0-b0-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-0-b1-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-0-b1-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-0-b1-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-0-b1-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-0-b2-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-0-b2-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-0-b2-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-0-b2-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-0-b3-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-0-b3-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-0-b3-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-0-b3-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-1e-08-b0-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-1e-08-b0-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-1e-08-b0-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-1e-08-b0-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-1e-08-b1-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-1e-08-b1-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-1e-08-b1-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-1e-08-b1-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-1e-08-b2-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-1e-08-b2-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-1e-08-b2-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-1e-08-b2-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-1e-08-b3-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-1e-08-b3-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-1e-08-b3-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[None-1e-08-b3-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-None-b0-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-None-b0-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-None-b0-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-None-b0-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-None-b1-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-None-b1-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-None-b1-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-None-b1-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-None-b2-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-None-b2-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-None-b2-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-None-b2-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-None-b3-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-None-b3-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-None-b3-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-None-b3-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-0-b0-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-0-b0-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-0-b0-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-0-b0-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-0-b1-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-0-b1-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-0-b1-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-0-b1-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-0-b2-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-0-b2-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-0-b2-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-0-b2-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-0-b3-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-0-b3-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-0-b3-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-0-b3-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-1e-08-b0-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-1e-08-b0-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-1e-08-b0-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-1e-08-b0-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-1e-08-b1-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-1e-08-b1-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-1e-08-b1-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-1e-08-b1-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-1e-08-b2-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-1e-08-b2-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-1e-08-b2-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-1e-08-b2-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-1e-08-b3-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-1e-08-b3-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-1e-08-b3-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[0-1e-08-b3-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-None-b0-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-None-b0-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-None-b0-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-None-b0-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-None-b1-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-None-b1-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-None-b1-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-None-b1-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-None-b2-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-None-b2-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-None-b2-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-None-b2-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-None-b3-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-None-b3-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-None-b3-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-None-b3-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-0-b0-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-0-b0-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-0-b0-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-0-b0-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-0-b1-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-0-b1-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-0-b1-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-0-b1-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-0-b2-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-0-b2-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-0-b2-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-0-b2-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-0-b3-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-0-b3-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-0-b3-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-0-b3-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-1e-08-b0-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-1e-08-b0-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-1e-08-b0-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-1e-08-b0-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-1e-08-b1-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-1e-08-b1-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-1e-08-b1-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-1e-08-b1-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-1e-08-b2-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-1e-08-b2-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-1e-08-b2-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-1e-08-b2-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-1e-08-b3-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-1e-08-b3-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-1e-08-b3-a2] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_equal[1e-08-1e-08-b3-a3] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_equal" was: 3264
test_calculator_equal.py::test_array_almost_equal[None-2e-08-b0-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_almost_equal" was: 9800
test_calculator_equal.py::test_array_almost_equal[None-2e-08-b0-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_almost_equal" was: 9800
test_calculator_equal.py::test_array_almost_equal[None-2e-08-b1-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_almost_equal" was: 9800
test_calculator_equal.py::test_array_almost_equal[None-2e-08-b1-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_almost_equal" was: 9800
test_calculator_equal.py::test_array_almost_equal[0-2e-08-b0-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_almost_equal" was: 9800
test_calculator_equal.py::test_array_almost_equal[0-2e-08-b0-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_almost_equal" was: 9800
test_calculator_equal.py::test_array_almost_equal[0-2e-08-b1-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_almost_equal" was: 9800
test_calculator_equal.py::test_array_almost_equal[0-2e-08-b1-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_almost_equal" was: 9800
test_calculator_equal.py::test_array_almost_equal[1e-08-None-b0-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_almost_equal" was: 9800
test_calculator_equal.py::test_array_almost_equal[1e-08-None-b0-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_almost_equal" was: 9800
test_calculator_equal.py::test_array_almost_equal[1e-08-None-b1-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_almost_equal" was: 9800
test_calculator_equal.py::test_array_almost_equal[1e-08-None-b1-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_almost_equal" was: 9800
test_calculator_equal.py::test_array_almost_equal[1e-08-0-b0-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_almost_equal" was: 9800
test_calculator_equal.py::test_array_almost_equal[1e-08-0-b0-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_almost_equal" was: 9800
test_calculator_equal.py::test_array_almost_equal[1e-08-0-b1-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_almost_equal" was: 9800
test_calculator_equal.py::test_array_almost_equal[1e-08-0-b1-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_almost_equal" was: 9800
test_calculator_equal.py::test_array_almost_equal[5e-09-1e-08-b0-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_almost_equal" was: 9800
test_calculator_equal.py::test_array_almost_equal[5e-09-1e-08-b0-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_almost_equal" was: 9800
test_calculator_equal.py::test_array_almost_equal[5e-09-1e-08-b1-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_almost_equal" was: 9800
test_calculator_equal.py::test_array_almost_equal[5e-09-1e-08-b1-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_almost_equal" was: 9800
test_calculator_equal.py::test_array_not_equal[None-None-b0-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[None-None-b0-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[None-None-b1-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[None-None-b1-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[None-0-b0-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[None-0-b0-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[None-0-b1-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[None-0-b1-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[None-1e-08-b0-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[None-1e-08-b0-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[None-1e-08-b1-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[None-1e-08-b1-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[0-None-b0-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[0-None-b0-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[0-None-b1-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[0-None-b1-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[0-0-b0-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[0-0-b0-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[0-0-b1-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[0-0-b1-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[0-1e-08-b0-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[0-1e-08-b0-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[0-1e-08-b1-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[0-1e-08-b1-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[1e-08-None-b0-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[1e-08-None-b0-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[1e-08-None-b1-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[1e-08-None-b1-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[1e-08-0-b0-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[1e-08-0-b0-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[1e-08-0-b1-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[1e-08-0-b1-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[1e-08-1e-08-b0-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[1e-08-1e-08-b0-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[1e-08-1e-08-b1-a0] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_equal.py::test_array_not_equal[1e-08-1e-08-b1-a1] PASSEDGlobal seed for "test/test_calculator_equal.py:test_array_not_equal" was: 9961
test_calculator_label.py::test_calculator_label PASSEDGlobal seed for "test/test_calculator_label.py:test_calculator_label" was: 571
test_checkpoint.py::test_sqlite PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_sqlite0
Global seed for "test/test_checkpoint.py:test_sqlite" was: 1430
test_checkpoint.py::test_new_style_interface PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_new_style_interface0
Global seed for "test/test_checkpoint.py:test_new_style_interface" was: 1177
test_cluster.py::test_icosa[1] PASSEDGlobal seed for "test/test_cluster.py:test_icosa" was: 861
test_cluster.py::test_icosa[2] PASSEDGlobal seed for "test/test_cluster.py:test_icosa" was: 861
test_cluster.py::test_icosa[3] PASSEDGlobal seed for "test/test_cluster.py:test_icosa" was: 861
test_cluster.py::test_icosa[4] PASSEDGlobal seed for "test/test_cluster.py:test_icosa" was: 861
test_cluster.py::test_icosa[5] PASSEDGlobal seed for "test/test_cluster.py:test_icosa" was: 861
test_cluster.py::test_icosa[6] PASSEDGlobal seed for "test/test_cluster.py:test_icosa" was: 861
test_cluster.py::test_regular_octahedron[1] PASSEDGlobal seed for "test/test_cluster.py:test_regular_octahedron" was: 8385
test_cluster.py::test_regular_octahedron[2] PASSEDGlobal seed for "test/test_cluster.py:test_regular_octahedron" was: 8385
test_cluster.py::test_regular_octahedron[3] PASSEDGlobal seed for "test/test_cluster.py:test_regular_octahedron" was: 8385
test_cluster.py::test_regular_octahedron[4] PASSEDGlobal seed for "test/test_cluster.py:test_regular_octahedron" was: 8385
test_cluster.py::test_regular_octahedron[5] PASSEDGlobal seed for "test/test_cluster.py:test_regular_octahedron" was: 8385
test_cluster.py::test_regular_octahedron[6] PASSEDGlobal seed for "test/test_cluster.py:test_regular_octahedron" was: 8385
test_cluster.py::test_regular_octahedron[7] PASSEDGlobal seed for "test/test_cluster.py:test_regular_octahedron" was: 8385
test_cluster.py::test_cuboctahedron[1] Cluster(symbols='Au', pbc=False)
PASSEDGlobal seed for "test/test_cluster.py:test_cuboctahedron" was: 6966
test_cluster.py::test_cuboctahedron[2] Cluster(symbols='Au13', pbc=False)
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test_cluster.py::test_cuboctahedron[3] Cluster(symbols='Au55', pbc=False)
PASSEDGlobal seed for "test/test_cluster.py:test_cuboctahedron" was: 6966
test_cluster.py::test_cuboctahedron[4] Cluster(symbols='Au147', pbc=False)
PASSEDGlobal seed for "test/test_cluster.py:test_cuboctahedron" was: 6966
test_cluster.py::test_cuboctahedron[5] Cluster(symbols='Au309', pbc=False)
PASSEDGlobal seed for "test/test_cluster.py:test_cuboctahedron" was: 6966
test_cluster.py::test_cuboctahedron[6] Cluster(symbols='Au561', pbc=False)
PASSEDGlobal seed for "test/test_cluster.py:test_cuboctahedron" was: 6966
test_cluster.py::test_decahedron PASSEDGlobal seed for "test/test_cluster.py:test_decahedron" was: 3502
test_cluster.py::test_smallest_decahedron PASSEDGlobal seed for "test/test_cluster.py:test_smallest_decahedron" was: 7187
test_cluster.py::test_centering[cluster0] PASSEDGlobal seed for "test/test_cluster.py:test_centering" was: 2287
test_cluster.py::test_centering[cluster1] PASSEDGlobal seed for "test/test_cluster.py:test_centering" was: 2287
test_cluster.py::test_centering[cluster2] PASSEDGlobal seed for "test/test_cluster.py:test_centering" was: 2287
test_cutoffs.py::test_cutoffs PASSEDGlobal seed for "test/test_cutoffs.py:test_cutoffs" was: 7315
test_diffusion_coefficient.py::test_atom PASSEDGlobal seed for "test/test_diffusion_coefficient.py:test_atom" was: 6230
test_diffusion_coefficient.py::test_co_molecule PASSEDGlobal seed for "test/test_diffusion_coefficient.py:test_co_molecule" was: 7967
test_dimensionality.py::test_mx2[TSA] PASSEDGlobal seed for "test/test_dimensionality.py:test_mx2" was: 2548
test_dimensionality.py::test_mx2[RDA] PASSEDGlobal seed for "test/test_dimensionality.py:test_mx2" was: 2548
test_dimensionality.py::test_fcc[TSA] PASSEDGlobal seed for "test/test_dimensionality.py:test_fcc" was: 10940
test_dimensionality.py::test_fcc[RDA] PASSEDGlobal seed for "test/test_dimensionality.py:test_fcc" was: 10940
test_dimensionality.py::test_isolation_0D[None] PASSEDGlobal seed for "test/test_dimensionality.py:test_isolation_0D" was: 10933
test_dimensionality.py::test_isolation_0D[1.1] PASSEDGlobal seed for "test/test_dimensionality.py:test_isolation_0D" was: 10933
test_dimensionality.py::test_isolation_1D PASSEDGlobal seed for "test/test_dimensionality.py:test_isolation_1D" was: 6211
test_dimensionality.py::test_isolation_2D PASSEDGlobal seed for "test/test_dimensionality.py:test_isolation_2D" was: 1489
test_dimensionality.py::test_isolation_3D PASSEDGlobal seed for "test/test_dimensionality.py:test_isolation_3D" was: 9112
test_dimer.py::test_dimer [[0. 0. 0.]
 [0. 0. 0.]]
[[0. 0. 0.]
 [0. 0. 1.]]
[[0.1 0.1 0.1]
 [0.1 0.1 1.1]]
[[0.1 0.1 5.2]
 [0.1 0.1 6.2]]
[[1. 2. 3.]
 [4. 5. 6.]]
[[2.24853321 3.24853321 4.24853321]
 [2.75146679 3.75146679 4.95146679]]
PASSEDGlobal seed for "test/test_dimer.py:test_dimer" was: 4555
test_dimer_method.py::test_dimer_method PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_dimer_method0
Global seed for "test/test_dimer_method.py:test_dimer_method" was: 8111
test_distance.py::test_distance translation 3 -> distance 2.045832582383598e-15
translation 5 -> distance 3.635874466792547e-15
translation 7 -> distance 7.413440986816575e-15
translation 9 -> distance 2.5004677505336322e-15
rotation x , angle 20 -> distance 1.390274538422908e-15
rotation x , angle 200 -> distance 7.180705899498363e-15
rotation -y , angle 20 -> distance 3.761776556280244e-15
rotation -y , angle 200 -> distance 2.282885548929657e-15
rotation z , angle 20 -> distance 2.9074545072802868e-15
rotation z , angle 200 -> distance 1.915134717478395e-15
rotation [0.57735027 0.57735027 0.57735027] , angle 20 -> distance 3.3570480578294302e-15
rotation [0.57735027 0.57735027 0.57735027] , angle 200 -> distance 6.4156219027827885e-15
permutation (0, 1, 2) -> distance 0.0
permutation (0, 2, 1) -> distance 3.4456988600058153e-14
permutation (1, 0, 2) -> distance 0.0
permutation (1, 2, 0) -> distance 2.5081764395709537e-14
permutation (2, 0, 1) -> distance 3.4456988600058153e-14
permutation (2, 1, 0) -> distance 2.5081764395709537e-14
PASSEDGlobal seed for "test/test_distance.py:test_distance" was: 5430
test_distmom.py::test_distmom PASSEDGlobal seed for "test/test_distmom.py:test_distmom" was: 11295
test_doctests.py::test_doctest[ase.atoms] Trying:
    d = 1.104  # N2 bondlength
Expecting nothing
ok
Trying:
    a = Atoms('N2', [(0, 0, 0), (0, 0, d)])
Expecting nothing
ok
Trying:
    a = Atoms(numbers=[7, 7], positions=[(0, 0, 0), (0, 0, d)])
Expecting nothing
ok
Trying:
    a = Atoms([Atom('N', (0, 0, 0)), Atom('N', (0, 0, d))])
Expecting nothing
ok
Trying:
    a = 4.05  # Gold lattice constant
Expecting nothing
ok
Trying:
    b = a / 2
Expecting nothing
ok
Trying:
    fcc = Atoms('Au',
                cell=[(0, b, b), (b, 0, b), (b, b, 0)],
                pbc=True)
Expecting nothing
ok
Trying:
    d = 0.9  # H-H distance
Expecting nothing
ok
Trying:
    h = Atoms('H', positions=[(0, 0, 0)],
              cell=(d, 0, 0),
              pbc=(1, 0, 0))
Expecting nothing
ok
Trying:
    atoms = Atoms()
Expecting nothing
ok
Trying:
    atoms.rotate(90, 'z')
Expecting nothing
ok
Trying:
    atoms.rotate(90, (0, 0, 1))
Expecting nothing
ok
Trying:
    atoms.rotate(-90, '-z')
Expecting nothing
ok
Trying:
    atoms.rotate('x', 'y')
Expecting nothing
ok
Trying:
    atoms.rotate((1, 0, 0), (0, 1, 0))
Expecting nothing
ok
Trying:
    atoms = Atoms('He')
Expecting nothing
ok
Trying:
    a, b, c = 7, 7.5, 8
Expecting nothing
ok
Trying:
    atoms.set_cell([a, b, c])
Expecting nothing
ok
Trying:
    atoms.set_cell([(a, 0, 0), (0, b, 0), (0, 0, c)])
Expecting nothing
ok
Trying:
    atoms.set_cell([(0, b, b), (b, 0, b), (b, b, 0)])
Expecting nothing
ok
Trying:
    atoms.set_cell([a, a, c, 90, 90, 120])
Expecting nothing
ok
Trying:
    alpha = 77
Expecting nothing
ok
Trying:
    atoms.set_cell([a, a, a, alpha, alpha, alpha])
Expecting nothing
ok
Trying:
    atoms = Atoms('HHCCHH', [[-1, 1, 0], [-1, -1, 0], [0, 0, 0],
                             [1, 0, 0], [2, 1, 0], [2, -1, 0]])
Expecting nothing
ok
Trying:
    atoms.set_dihedral(1, 2, 3, 4, 210, mask=[0, 0, 0, 1, 1, 1])
Expecting nothing
ok
110 items had no tests:
    ase.atoms
    ase.atoms.Atoms.__add__
    ase.atoms.Atoms.__delitem__
    ase.atoms.Atoms.__eq__
    ase.atoms.Atoms.__getitem__
    ase.atoms.Atoms.__iadd__
    ase.atoms.Atoms.__imul__
    ase.atoms.Atoms.__init__
    ase.atoms.Atoms.__iter__
    ase.atoms.Atoms.__len__
    ase.atoms.Atoms.__mul__
    ase.atoms.Atoms.__ne__
    ase.atoms.Atoms.__repr__
    ase.atoms.Atoms._centering_as_array
    ase.atoms.Atoms._del_constraints
    ase.atoms.Atoms._get_atomic_numbers
    ase.atoms.Atoms._get_constraints
    ase.atoms.Atoms._get_positions
    ase.atoms.Atoms._masked_rotate
    ase.atoms.Atoms._set_positions
    ase.atoms.Atoms.append
    ase.atoms.Atoms.calc
    ase.atoms.Atoms.cell
    ase.atoms.Atoms.center
    ase.atoms.Atoms.constraints
    ase.atoms.Atoms.copy
    ase.atoms.Atoms.edit
    ase.atoms.Atoms.euler_rotate
    ase.atoms.Atoms.extend
    ase.atoms.Atoms.fromdict
    ase.atoms.Atoms.get_all_distances
    ase.atoms.Atoms.get_angle
    ase.atoms.Atoms.get_angles
    ase.atoms.Atoms.get_angular_momentum
    ase.atoms.Atoms.get_array
    ase.atoms.Atoms.get_atomic_numbers
    ase.atoms.Atoms.get_calculator
    ase.atoms.Atoms.get_cell
    ase.atoms.Atoms.get_cell_lengths_and_angles
    ase.atoms.Atoms.get_celldisp
    ase.atoms.Atoms.get_center_of_mass
    ase.atoms.Atoms.get_charges
    ase.atoms.Atoms.get_chemical_formula
    ase.atoms.Atoms.get_chemical_symbols
    ase.atoms.Atoms.get_dihedral
    ase.atoms.Atoms.get_dihedrals
    ase.atoms.Atoms.get_dipole_moment
    ase.atoms.Atoms.get_distance
    ase.atoms.Atoms.get_distances
    ase.atoms.Atoms.get_forces
    ase.atoms.Atoms.get_global_number_of_atoms
    ase.atoms.Atoms.get_initial_charges
    ase.atoms.Atoms.get_initial_magnetic_moments
    ase.atoms.Atoms.get_kinetic_energy
    ase.atoms.Atoms.get_magnetic_moment
    ase.atoms.Atoms.get_magnetic_moments
    ase.atoms.Atoms.get_masses
    ase.atoms.Atoms.get_momenta
    ase.atoms.Atoms.get_moments_of_inertia
    ase.atoms.Atoms.get_number_of_atoms
    ase.atoms.Atoms.get_pbc
    ase.atoms.Atoms.get_positions
    ase.atoms.Atoms.get_potential_energies
    ase.atoms.Atoms.get_potential_energy
    ase.atoms.Atoms.get_properties
    ase.atoms.Atoms.get_reciprocal_cell
    ase.atoms.Atoms.get_scaled_positions
    ase.atoms.Atoms.get_stress
    ase.atoms.Atoms.get_stresses
    ase.atoms.Atoms.get_tags
    ase.atoms.Atoms.get_temperature
    ase.atoms.Atoms.get_total_energy
    ase.atoms.Atoms.get_velocities
    ase.atoms.Atoms.get_volume
    ase.atoms.Atoms.has
    ase.atoms.Atoms.iterimages
    ase.atoms.Atoms.new_array
    ase.atoms.Atoms.number_of_lattice_vectors
    ase.atoms.Atoms.numbers
    ase.atoms.Atoms.pbc
    ase.atoms.Atoms.pop
    ase.atoms.Atoms.positions
    ase.atoms.Atoms.rattle
    ase.atoms.Atoms.repeat
    ase.atoms.Atoms.rotate_dihedral
    ase.atoms.Atoms.set_angle
    ase.atoms.Atoms.set_array
    ase.atoms.Atoms.set_atomic_numbers
    ase.atoms.Atoms.set_calculator
    ase.atoms.Atoms.set_celldisp
    ase.atoms.Atoms.set_center_of_mass
    ase.atoms.Atoms.set_chemical_symbols
    ase.atoms.Atoms.set_constraint
    ase.atoms.Atoms.set_distance
    ase.atoms.Atoms.set_initial_charges
    ase.atoms.Atoms.set_initial_magnetic_moments
    ase.atoms.Atoms.set_masses
    ase.atoms.Atoms.set_momenta
    ase.atoms.Atoms.set_pbc
    ase.atoms.Atoms.set_positions
    ase.atoms.Atoms.set_scaled_positions
    ase.atoms.Atoms.set_tags
    ase.atoms.Atoms.set_velocities
    ase.atoms.Atoms.symbols
    ase.atoms.Atoms.todict
    ase.atoms.Atoms.translate
    ase.atoms.Atoms.wrap
    ase.atoms.Atoms.write
    ase.atoms.default
    ase.atoms.string2vector
4 items passed all tests:
   9 tests in ase.atoms.Atoms
   6 tests in ase.atoms.Atoms.rotate
   8 tests in ase.atoms.Atoms.set_cell
   2 tests in ase.atoms.Atoms.set_dihedral
25 tests in 114 items.
25 passed and 0 failed.
Test passed.
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_doctest_ase_atoms_0
Global seed for "test/test_doctests.py:test_doctest" was: 11075
test_doctests.py::test_doctest[ase.build.tools] Trying:
    import ase
Expecting nothing
ok
Trying:
    from ase.spacegroup import crystal
Expecting nothing
ok
Trying:
    a = 4.05
Expecting nothing
ok
Trying:
    aluminium = crystal('Al', [(0,0,0)], spacegroup=225,
                        cellpar=[a, a, a, 90, 90, 90])
Expecting nothing
ok
Trying:
    al111 = cut(aluminium, (1,-1,0), (0,1,-1), nlayers=3)
Expecting nothing
ok
Trying:
    a = 9.04
Expecting nothing
ok
Trying:
    skutterudite = crystal(
        ('Co', 'Sb'),
        basis=[(0.25,0.25,0.25), (0.0, 0.335, 0.158)],
        spacegroup=204,
        cellpar=[a, a, a, 90, 90, 90])
Expecting nothing
ok
Trying:
    s = cut(skutterudite, origo=(0.25, 0.25, 0.25), extend=1.01)
Expecting nothing
ok
Trying:
    from ase.build import bulk
Expecting nothing
ok
Trying:
    a = 5.64
Expecting nothing
ok
Trying:
    nacl = bulk('NaCl', 'rocksalt', a=a) * (2, 1, 1)
Expecting nothing
ok
Trying:
    nacl.get_chemical_symbols()
Expecting:
    ['Na', 'Cl', 'Na', 'Cl']
ok
Trying:
    nacl_sorted = sort(nacl)
Expecting nothing
ok
Trying:
    nacl_sorted.get_chemical_symbols()
Expecting:
    ['Cl', 'Cl', 'Na', 'Na']
ok
Trying:
    np.all(nacl_sorted.cell == nacl.cell)
Expecting:
    True
ok
Trying:
    import ase
Expecting nothing
ok
Trying:
    from ase.spacegroup import crystal
Expecting nothing
ok
Trying:
    a_ag = 4.09
Expecting nothing
ok
Trying:
    ag = crystal(['Ag'], basis=[(0,0,0)], spacegroup=225,
                 cellpar=[a_ag, a_ag, a_ag, 90., 90., 90.])
Expecting nothing
ok
Trying:
    ag110 = cut(ag, (0, 0, 3), (-1.5, 1.5, 0), nlayers=3)
Expecting nothing
ok
Trying:
    a_si = 5.43
Expecting nothing
ok
Trying:
    si = crystal(['Si'], basis=[(0,0,0)], spacegroup=227,
                 cellpar=[a_si, a_si, a_si, 90., 90., 90.])
Expecting nothing
ok
Trying:
    si110 = cut(si, (0, 0, 2), (-1, 1, 0), nlayers=3)
Expecting nothing
ok
Trying:
    interface = stack(ag110, si110, maxstrain=1)
Expecting nothing
ok
Trying:
    interface2 = stack(ag110, si110,
                       maxstrain=1, distance=2.3)   # doctest:+ELLIPSIS
Expecting:
    Optimization terminated successfully.
        ...
ok
10 items had no tests:
    ase.build.tools
    ase.build.tools.IncompatibleCellError
    ase.build.tools.minimize_tilt
    ase.build.tools.minimize_tilt_ij
    ase.build.tools.niggli_reduce
    ase.build.tools.niggli_reduce_cell
    ase.build.tools.reduce_lattice
    ase.build.tools.rotate
    ase.build.tools.rotation_matrix
    ase.build.tools.update_cell_and_positions
3 items passed all tests:
   8 tests in ase.build.tools.cut
   7 tests in ase.build.tools.sort
  10 tests in ase.build.tools.stack
25 tests in 13 items.
25 passed and 0 failed.
Test passed.
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_doctest_ase_build_tools_0
Global seed for "test/test_doctests.py:test_doctest" was: 11075
test_doctests.py::test_doctest[ase.cell] Trying:
    cell = Cell.fromcellpar([4, 4, 4, 60, 60, 60])
Expecting nothing
ok
Trying:
    cell.bandpath('GXW', npoints=20)
Expecting:
    BandPath(path='GXW', cell=[3x3], special_points={GKLUWX}, kpts=[20x3])
ok
Trying:
    cell = Cell.fromcellpar([4, 4, 4, 60, 60, 60])
Expecting nothing
ok
Trying:
    print(cell.get_bravais_lattice())
Expecting:
    FCC(a=5.65685)
ok
123 items had no tests:
    ase.cell
    ase.cell.Cell
    ase.cell.Cell.T
    ase.cell.Cell.__abs__
    ase.cell.Cell.__add__
    ase.cell.Cell.__array__
    ase.cell.Cell.__bool__
    ase.cell.Cell.__contains__
    ase.cell.Cell.__eq__
    ase.cell.Cell.__ge__
    ase.cell.Cell.__getitem__
    ase.cell.Cell.__gt__
    ase.cell.Cell.__init__
    ase.cell.Cell.__iter__
    ase.cell.Cell.__le__
    ase.cell.Cell.__len__
    ase.cell.Cell.__lt__
    ase.cell.Cell.__matmul__
    ase.cell.Cell.__mul__
    ase.cell.Cell.__ne__
    ase.cell.Cell.__neg__
    ase.cell.Cell.__pos__
    ase.cell.Cell.__pow__
    ase.cell.Cell.__radd__
    ase.cell.Cell.__repr__
    ase.cell.Cell.__rmatmul__
    ase.cell.Cell.__rmul__
    ase.cell.Cell.__rpow__
    ase.cell.Cell.__rsub__
    ase.cell.Cell.__rtruediv__
    ase.cell.Cell.__setitem__
    ase.cell.Cell.__sub__
    ase.cell.Cell.__truediv__
    ase.cell.Cell.all
    ase.cell.Cell.angles
    ase.cell.Cell.any
    ase.cell.Cell.argmax
    ase.cell.Cell.argmin
    ase.cell.Cell.argpartition
    ase.cell.Cell.argsort
    ase.cell.Cell.ascell
    ase.cell.Cell.astype
    ase.cell.Cell.base
    ase.cell.Cell.byteswap
    ase.cell.Cell.cartesian_positions
    ase.cell.Cell.cellpar
    ase.cell.Cell.choose
    ase.cell.Cell.clip
    ase.cell.Cell.complete
    ase.cell.Cell.compress
    ase.cell.Cell.conj
    ase.cell.Cell.conjugate
    ase.cell.Cell.copy
    ase.cell.Cell.ctypes
    ase.cell.Cell.cumprod
    ase.cell.Cell.cumsum
    ase.cell.Cell.data
    ase.cell.Cell.diagonal
    ase.cell.Cell.dot
    ase.cell.Cell.dtype
    ase.cell.Cell.dump
    ase.cell.Cell.dumps
    ase.cell.Cell.fill
    ase.cell.Cell.flags
    ase.cell.Cell.flat
    ase.cell.Cell.flatten
    ase.cell.Cell.fromcellpar
    ase.cell.Cell.getfield
    ase.cell.Cell.handedness
    ase.cell.Cell.imag
    ase.cell.Cell.item
    ase.cell.Cell.itemset
    ase.cell.Cell.itemsize
    ase.cell.Cell.lengths
    ase.cell.Cell.max
    ase.cell.Cell.mean
    ase.cell.Cell.min
    ase.cell.Cell.minkowski_reduce
    ase.cell.Cell.nbytes
    ase.cell.Cell.ndim
    ase.cell.Cell.new
    ase.cell.Cell.newbyteorder
    ase.cell.Cell.niggli_reduce
    ase.cell.Cell.nonzero
    ase.cell.Cell.orthorhombic
    ase.cell.Cell.partition
    ase.cell.Cell.permute_axes
    ase.cell.Cell.prod
    ase.cell.Cell.ptp
    ase.cell.Cell.put
    ase.cell.Cell.rank
    ase.cell.Cell.ravel
    ase.cell.Cell.real
    ase.cell.Cell.reciprocal
    ase.cell.Cell.repeat
    ase.cell.Cell.reshape
    ase.cell.Cell.resize
    ase.cell.Cell.round
    ase.cell.Cell.scaled_positions
    ase.cell.Cell.searchsorted
    ase.cell.Cell.setfield
    ase.cell.Cell.setflags
    ase.cell.Cell.shape
    ase.cell.Cell.size
    ase.cell.Cell.sort
    ase.cell.Cell.squeeze
    ase.cell.Cell.standard_form
    ase.cell.Cell.std
    ase.cell.Cell.strides
    ase.cell.Cell.sum
    ase.cell.Cell.swapaxes
    ase.cell.Cell.take
    ase.cell.Cell.tobytes
    ase.cell.Cell.todict
    ase.cell.Cell.tofile
    ase.cell.Cell.tolist
    ase.cell.Cell.tostring
    ase.cell.Cell.trace
    ase.cell.Cell.transpose
    ase.cell.Cell.uncomplete
    ase.cell.Cell.var
    ase.cell.Cell.view
    ase.cell.Cell.volume
2 items passed all tests:
   2 tests in ase.cell.Cell.bandpath
   2 tests in ase.cell.Cell.get_bravais_lattice
4 tests in 125 items.
4 passed and 0 failed.
Test passed.
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_doctest_ase_cell_0
Global seed for "test/test_doctests.py:test_doctest" was: 11075
test_doctests.py::test_doctest[ase.collections.collection] Trying:
    from ase.collections import s22
Expecting nothing
ok
Trying:
    len(s22)
Expecting:
    22
ok
Trying:
    s22.names[:3]
Expecting:
    ['Ammonia_dimer', 'Water_dimer', 'Formic_acid_dimer']
ok
Trying:
    dimer = s22['Water_dimer']
Expecting nothing
ok
Trying:
    dimer.get_chemical_symbols()
Expecting:
    ['O', 'H', 'H', 'O', 'H', 'H']
ok
Trying:
    s22.data['Ammonia_dimer']
Expecting:
    {'cc_energy': -0.1375}
ok
Trying:
    sum(len(atoms) for atoms in s22)
Expecting:
    414
ok
11 items had no tests:
    ase.collections.collection
    ase.collections.collection.Collection.__getitem__
    ase.collections.collection.Collection.__init__
    ase.collections.collection.Collection.__iter__
    ase.collections.collection.Collection.__len__
    ase.collections.collection.Collection.__repr__
    ase.collections.collection.Collection.__str__
    ase.collections.collection.Collection._read
    ase.collections.collection.Collection.data
    ase.collections.collection.Collection.has
    ase.collections.collection.Collection.names
1 items passed all tests:
   7 tests in ase.collections.collection.Collection
7 tests in 12 items.
7 passed and 0 failed.
Test passed.
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_doctest_ase_collections_c0
Global seed for "test/test_doctests.py:test_doctest" was: 11075
test_doctests.py::test_doctest[ase.dft.kpoints] Trying:
    from ase.lattice import CUB
Expecting nothing
ok
Trying:
    path = CUB(3).bandpath()
Expecting nothing
ok
Trying:
    path
Expecting:
    BandPath(path='GXMGRX,MR', cell=[3x3], special_points={GMRX}, kpts=[40x3])
ok
Trying:
    from ase.io.jsonio import read_json
Expecting nothing
ok
Trying:
    path.write('mybandpath.json')
Expecting nothing
ok
Trying:
    read_json('mybandpath.json')
Expecting:
    BandPath(path='GXMGRX,MR', cell=[3x3], special_points={GMRX}, kpts=[40x3])
ok
Trying:
    parse_path_string('GX')
Expecting:
    [['G', 'X']]
ok
Trying:
    parse_path_string('GX,M1A')
Expecting:
    [['G', 'X'], ['M1', 'A']]
ok
33 items had no tests:
    ase.dft.kpoints
    ase.dft.kpoints.BandPath.__getitem__
    ase.dft.kpoints.BandPath.__init__
    ase.dft.kpoints.BandPath.__iter__
    ase.dft.kpoints.BandPath.__repr__
    ase.dft.kpoints.BandPath._find_special_point_indices
    ase.dft.kpoints.BandPath._scale
    ase.dft.kpoints.BandPath.cartesian_kpts
    ase.dft.kpoints.BandPath.cell
    ase.dft.kpoints.BandPath.free_electron_band_structure
    ase.dft.kpoints.BandPath.get_linear_kpoint_axis
    ase.dft.kpoints.BandPath.icell
    ase.dft.kpoints.BandPath.interpolate
    ase.dft.kpoints.BandPath.kpts
    ase.dft.kpoints.BandPath.path
    ase.dft.kpoints.BandPath.plot
    ase.dft.kpoints.BandPath.special_points
    ase.dft.kpoints.BandPath.todict
    ase.dft.kpoints.BandPath.transform
    ase.dft.kpoints.bandpath
    ase.dft.kpoints.find_bandpath_kinks
    ase.dft.kpoints.get_monkhorst_pack_size_and_offset
    ase.dft.kpoints.get_monkhorst_shape
    ase.dft.kpoints.get_special_points
    ase.dft.kpoints.indices_to_axis_coords
    ase.dft.kpoints.kpoint_convert
    ase.dft.kpoints.labels_from_kpts
    ase.dft.kpoints.monkhorst_pack
    ase.dft.kpoints.monkhorst_pack_interpolate
    ase.dft.kpoints.normalize_special_points
    ase.dft.kpoints.paths2kpts
    ase.dft.kpoints.resolve_custom_points
    ase.dft.kpoints.resolve_kpt_path_string
2 items passed all tests:
   6 tests in ase.dft.kpoints.BandPath
   2 tests in ase.dft.kpoints.parse_path_string
8 tests in 35 items.
8 passed and 0 failed.
Test passed.
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_doctest_ase_dft_kpoints_0
Global seed for "test/test_doctests.py:test_doctest" was: 11075
test_doctests.py::test_doctest[ase.eos] Trying:
    from ase.build import bulk
Expecting nothing
ok
Trying:
    from ase.calculators.emt import EMT
Expecting nothing
ok
Trying:
    a = bulk('Cu', 'fcc', a=3.6)
Expecting nothing
ok
Trying:
    a.calc = EMT()
Expecting nothing
ok
Trying:
    eos = calculate_eos(a, trajectory='Cu.traj')
Expecting nothing
ok
Trying:
    v, e, B = eos.fit()
Expecting nothing
ok
Trying:
    a = (4 * v)**(1 / 3.0)
Expecting nothing
ok
Trying:
    print('{0:.6f}'.format(a))
Expecting:
    3.589825
ok
21 items had no tests:
    ase.eos
    ase.eos.CLICommand
    ase.eos.CLICommand.add_arguments
    ase.eos.CLICommand.run
    ase.eos.EquationOfState
    ase.eos.EquationOfState.__init__
    ase.eos.EquationOfState.fit
    ase.eos.EquationOfState.fit_sjeos
    ase.eos.EquationOfState.getplotdata
    ase.eos.EquationOfState.plot
    ase.eos.antonschmidt
    ase.eos.birch
    ase.eos.birchmurnaghan
    ase.eos.check_birchmurnaghan
    ase.eos.murnaghan
    ase.eos.p3
    ase.eos.parabola
    ase.eos.plot
    ase.eos.pouriertarantola
    ase.eos.taylor
    ase.eos.vinet
1 items passed all tests:
   8 tests in ase.eos.calculate_eos
8 tests in 22 items.
8 passed and 0 failed.
Test passed.
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_doctest_ase_eos_0
Global seed for "test/test_doctests.py:test_doctest" was: 11075
test_doctests.py::test_doctest[ase.formula] Trying:
    'OH' in Formula('H2O')
Expecting:
    True
ok
Trying:
    'O2' in Formula('H2O')
Expecting:
    False
ok
Trying:
    divmod(Formula('H2O'), 'H')
Expecting:
    (2, Formula('O'))
ok
Trying:
    Formula('CO') == Formula('OC')
Expecting:
    True
ok
Trying:
    f = Formula('OH2')
Expecting nothing
ok
Trying:
    '{f}, {f:hill}, {f:latex}'.format(f=f)
Expecting:
    'OH2, H2O, OH$_{2}$'
ok
Trying:
    from ase.formula import Formula
Expecting nothing
ok
Trying:
    w = Formula('H2O')
Expecting nothing
ok
Trying:
    w.count()
Expecting:
    {'H': 2, 'O': 1}
ok
Trying:
    'H' in w
Expecting:
    True
ok
Trying:
    w == 'HOH'
Expecting:
    True
ok
Trying:
    f'{w:latex}'
Expecting:
    'H$_{2}$O'
ok
Trying:
    w.format('latex')
Expecting:
    'H$_{2}$O'
ok
Trying:
    divmod(6 * w + 'Cu', w)
Expecting:
    (6, Formula('Cu'))
ok
Trying:
    Formula('H2O').count()
Expecting:
    {'H': 2, 'O': 1}
ok
Trying:
    Formula('H2O').format('html')
Expecting:
    'H<sub>2</sub>O'
ok
Trying:
    Formula.from_dict({'H': 2})
Expecting:
    Formula('H2')
ok
Trying:
    Formula('2H2O').reduce()
Expecting:
    (Formula('H2O'), 2)
ok
Trying:
    Formula('CO2').stoichiometry()
Expecting:
    (Formula('AB2'), Formula('CO2'), 1)
ok
Trying:
    Formula('(H2O)4').stoichiometry()
Expecting:
    (Formula('AB2'), Formula('OH2'), 4)
ok
28 items had no tests:
    ase.formula
    ase.formula.Formula
    ase.formula.Formula.__add__
    ase.formula.Formula.__floordiv__
    ase.formula.Formula.__getitem__
    ase.formula.Formula.__iter__
    ase.formula.Formula.__len__
    ase.formula.Formula.__mod__
    ase.formula.Formula.__mul__
    ase.formula.Formula.__radd__
    ase.formula.Formula.__rdivmod__
    ase.formula.Formula.__repr__
    ase.formula.Formula.__rfloordiv__
    ase.formula.Formula.__rmod__
    ase.formula.Formula.__rmul__
    ase.formula.Formula.__str__
    ase.formula.Formula._reduce
    ase.formula.Formula._tostr
    ase.formula.Formula.convert
    ase.formula.Formula.from_list
    ase.formula.count_tree
    ase.formula.dict2str
    ase.formula.formula_hill
    ase.formula.formula_metal
    ase.formula.parse
    ase.formula.parse2
    ase.formula.strip_number
    ase.formula.tree2str
10 items passed all tests:
   2 tests in ase.formula.Formula.__contains__
   1 tests in ase.formula.Formula.__divmod__
   1 tests in ase.formula.Formula.__eq__
   2 tests in ase.formula.Formula.__format__
   8 tests in ase.formula.Formula.__init__
   1 tests in ase.formula.Formula.count
   1 tests in ase.formula.Formula.format
   1 tests in ase.formula.Formula.from_dict
   1 tests in ase.formula.Formula.reduce
   2 tests in ase.formula.Formula.stoichiometry
20 tests in 38 items.
20 passed and 0 failed.
Test passed.
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_doctest_ase_formula_0
Global seed for "test/test_doctests.py:test_doctest" was: 11075
test_doctests.py::test_doctest[ase.geometry.cell] Trying:
    cell = cellpar_to_cell([1, 2, 4, 10, 20, 30], (0, 1, 1), (1, 2, 3))
Expecting nothing
ok
Trying:
    np.round(cell, 3)
Expecting:
    array([[ 0.816, -0.408,  0.408],
           [ 1.992, -0.13 ,  0.13 ],
           [ 3.859, -0.745,  0.745]])
ok
8 items had no tests:
    ase.geometry.cell
    ase.geometry.cell.angle
    ase.geometry.cell.cell_to_cellpar
    ase.geometry.cell.complete_cell
    ase.geometry.cell.is_orthorhombic
    ase.geometry.cell.metric_from_cell
    ase.geometry.cell.orthorhombic
    ase.geometry.cell.unit_vector
1 items passed all tests:
   2 tests in ase.geometry.cell.cellpar_to_cell
2 tests in 9 items.
2 passed and 0 failed.
Test passed.
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_doctest_ase_geometry_cell0
Global seed for "test/test_doctests.py:test_doctest" was: 11075
test_doctests.py::test_doctest[ase.geometry.geometry] Trying:
    import numpy as np
Expecting nothing
ok
Trying:
    from ase.spacegroup import crystal
Expecting nothing
ok
Trying:
    atoms = crystal('Al', [(0,0,0)], spacegroup=225, cellpar=4.05)
Expecting nothing
ok
Trying:
    np.round(atoms.positions, decimals=5)
Expecting:
    array([[ 0.   ,  0.   ,  0.   ],
           [ 0.   ,  2.025,  2.025],
           [ 2.025,  0.   ,  2.025],
           [ 2.025,  2.025,  0.   ]])
ok
Trying:
    get_layers(atoms, (0,0,1))  # doctest: +ELLIPSIS
Expecting:
    (array([0, 1, 1, 0]...), array([ 0.   ,  2.025]))
ok
Trying:
    from ase.geometry import wrap_positions
Expecting nothing
ok
Trying:
    wrap_positions([[-0.1, 1.01, -0.5]],
                   [[1, 0, 0], [0, 1, 0], [0, 0, 4]],
                   pbc=[1, 1, 0])
Expecting:
    array([[ 0.9 ,  0.01, -0.5 ]])
ok
15 items had no tests:
    ase.geometry.geometry
    ase.geometry.geometry._row_col_from_pdist
    ase.geometry.geometry.conditional_find_mic
    ase.geometry.geometry.find_mic
    ase.geometry.geometry.general_find_mic
    ase.geometry.geometry.get_angles
    ase.geometry.geometry.get_angles_derivatives
    ase.geometry.geometry.get_dihedrals
    ase.geometry.geometry.get_dihedrals_derivatives
    ase.geometry.geometry.get_distances
    ase.geometry.geometry.get_distances_derivatives
    ase.geometry.geometry.get_duplicate_atoms
    ase.geometry.geometry.naive_find_mic
    ase.geometry.geometry.permute_axes
    ase.geometry.geometry.translate_pretty
2 items passed all tests:
   5 tests in ase.geometry.geometry.get_layers
   2 tests in ase.geometry.geometry.wrap_positions
7 tests in 17 items.
7 passed and 0 failed.
Test passed.
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_doctest_ase_geometry_geom0
Global seed for "test/test_doctests.py:test_doctest" was: 11075
test_doctests.py::test_doctest[ase.io.ulm] Trying:
    import numpy as np
Expecting nothing
ok
Trying:
    import ase.io.ulm as ulm
Expecting nothing
ok
Trying:
    with ulm.open('x.ulm', 'w') as w:
        w.write(a=np.ones(7), b=42, c='abc')
        w.write(d=3.14)
Expecting nothing
ok
Trying:
    r = ulm.open('x.ulm')
Expecting nothing
ok
Trying:
    print(r.c)
Expecting:
    abc
ok
Trying:
    r.close()
Expecting nothing
ok
Trying:
    w = ulm.open('x.ulm', 'a')
Expecting nothing
ok
Trying:
    w.add_array('bigarray', (10, 1000), float)
Expecting nothing
ok
Trying:
    for i in range(10):
        w.fill(np.ones(1000))
Expecting nothing
ok
Trying:
    w.close()
Expecting nothing
ok
Trying:
    with ulm.open('x.ulm') as r:
        print(r.keys())
Expecting:
    dict_keys(['a', 'b', 'c', 'd'])
ok
Trying:
    with ulm.open('x.ulm', index=1) as r:
        print(r.keys())
Expecting:
    dict_keys(['bigarray'])
ok
Trying:
    for i, r in enumerate(ulm.Reader('x.ulm')):
        for k in r.keys():
            print(i, k)
Expecting:
    0 a
    0 b
    0 c
    0 d
    1 bigarray
ok
Trying:
    r.close()
Expecting nothing
ok
Trying:
    r = ulm.Reader('x.ulm')
Expecting nothing
ok
Trying:
    r[1].bigarray.shape
Expecting:
    (10, 1000)
ok
Trying:
    r.close()
Expecting nothing
ok
59 items had no tests:
    ase.io.ulm.CLICommand
    ase.io.ulm.CLICommand.add_arguments
    ase.io.ulm.CLICommand.run
    ase.io.ulm.DummyWriter
    ase.io.ulm.DummyWriter.__enter__
    ase.io.ulm.DummyWriter.__exit__
    ase.io.ulm.DummyWriter.__len__
    ase.io.ulm.DummyWriter.add_array
    ase.io.ulm.DummyWriter.child
    ase.io.ulm.DummyWriter.close
    ase.io.ulm.DummyWriter.fill
    ase.io.ulm.DummyWriter.sync
    ase.io.ulm.DummyWriter.write
    ase.io.ulm.InvalidULMFileError
    ase.io.ulm.NDArrayReader
    ase.io.ulm.NDArrayReader.__getitem__
    ase.io.ulm.NDArrayReader.__init__
    ase.io.ulm.NDArrayReader.__len__
    ase.io.ulm.NDArrayReader.proxy
    ase.io.ulm.NDArrayReader.read
    ase.io.ulm.Reader
    ase.io.ulm.Reader.__contains__
    ase.io.ulm.Reader.__enter__
    ase.io.ulm.Reader.__exit__
    ase.io.ulm.Reader.__getattr__
    ase.io.ulm.Reader.__getitem__
    ase.io.ulm.Reader.__init__
    ase.io.ulm.Reader.__iter__
    ase.io.ulm.Reader.__len__
    ase.io.ulm.Reader.__str__
    ase.io.ulm.Reader._parse_data
    ase.io.ulm.Reader._read_data
    ase.io.ulm.Reader.asdict
    ase.io.ulm.Reader.close
    ase.io.ulm.Reader.get
    ase.io.ulm.Reader.get_tag
    ase.io.ulm.Reader.keys
    ase.io.ulm.Reader.proxy
    ase.io.ulm.Reader.tostr
    ase.io.ulm.Writer
    ase.io.ulm.Writer.__enter__
    ase.io.ulm.Writer.__exit__
    ase.io.ulm.Writer.__init__
    ase.io.ulm.Writer.__len__
    ase.io.ulm.Writer._write_header
    ase.io.ulm.Writer.add_array
    ase.io.ulm.Writer.child
    ase.io.ulm.Writer.close
    ase.io.ulm.Writer.fill
    ase.io.ulm.Writer.sync
    ase.io.ulm.Writer.write
    ase.io.ulm.align
    ase.io.ulm.copy
    ase.io.ulm.file_has_fileno
    ase.io.ulm.open
    ase.io.ulm.print_ulm_info
    ase.io.ulm.read_header
    ase.io.ulm.readints
    ase.io.ulm.writeint
1 items passed all tests:
  17 tests in ase.io.ulm
17 tests in 60 items.
17 passed and 0 failed.
Test passed.
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_doctest_ase_io_ulm_0
Global seed for "test/test_doctests.py:test_doctest" was: 11075
test_doctests.py::test_doctest[ase.lattice] Trying:
    from ase.lattice import FCC, MCL
Expecting nothing
ok
Trying:
    FCC.name
Expecting:
    'FCC'
ok
Trying:
    FCC.longname
Expecting:
    'face-centred cubic'
ok
Trying:
    FCC.pearson_symbol
Expecting:
    'cF'
ok
Trying:
    MCL.parameters
Expecting:
    ('a', 'b', 'c', 'alpha')
ok
Trying:
    MCL(3, 4, 5, 80)
Expecting:
    MCL(a=3, b=4, c=5, alpha=80)
ok
Trying:
    BCT(3, 5).bandpath()
Expecting:
    BandPath(path='GXYSGZS1NPY1Z,XP', cell=[3x3], special_points={GNPSS1XYY1Z}, kpts=[51x3])
ok
Trying:
    BCT(3, 5).special_path
Expecting:
    'GXYSGZS1NPY1Z,XP'
ok
Trying:
    BCT(3, 5).special_point_names
Expecting:
    ['G', 'N', 'P', 'S', 'S1', 'X', 'Y', 'Y1', 'Z']
ok
Trying:
    BCT(3, 5).variant
Expecting:
    'BCT2'
ok
128 items had no tests:
    ase.lattice
    ase.lattice.BCC
    ase.lattice.BCC._cell
    ase.lattice.BCT
    ase.lattice.BCT.__init__
    ase.lattice.BCT._cell
    ase.lattice.BCT._special_points
    ase.lattice.BCT._variant_name
    ase.lattice.BravaisLattice.__format__
    ase.lattice.BravaisLattice.__getattr__
    ase.lattice.BravaisLattice.__init__
    ase.lattice.BravaisLattice.__repr__
    ase.lattice.BravaisLattice.__str__
    ase.lattice.BravaisLattice._cell
    ase.lattice.BravaisLattice._special_points
    ase.lattice.BravaisLattice._variant_name
    ase.lattice.BravaisLattice.cellpar
    ase.lattice.BravaisLattice.conventional
    ase.lattice.BravaisLattice.description
    ase.lattice.BravaisLattice.get_special_points
    ase.lattice.BravaisLattice.get_special_points_array
    ase.lattice.BravaisLattice.get_transformation
    ase.lattice.BravaisLattice.plot_bz
    ase.lattice.BravaisLattice.tocell
    ase.lattice.BravaisLattice.type_description
    ase.lattice.BravaisLattice.vars
    ase.lattice.CRECT
    ase.lattice.CRECT.__init__
    ase.lattice.CRECT._cell
    ase.lattice.CRECT._special_points
    ase.lattice.CUB
    ase.lattice.CUB._cell
    ase.lattice.Cubic
    ase.lattice.Cubic.__init__
    ase.lattice.FCC
    ase.lattice.FCC._cell
    ase.lattice.HEX
    ase.lattice.HEX.__init__
    ase.lattice.HEX._cell
    ase.lattice.HEX2D
    ase.lattice.HEX2D.__init__
    ase.lattice.HEX2D._cell
    ase.lattice.LINE
    ase.lattice.LINE.__init__
    ase.lattice.LINE._cell
    ase.lattice.LatticeChecker
    ase.lattice.LatticeChecker.BCC
    ase.lattice.LatticeChecker.BCT
    ase.lattice.LatticeChecker.CUB
    ase.lattice.LatticeChecker.FCC
    ase.lattice.LatticeChecker.HEX
    ase.lattice.LatticeChecker.MCL
    ase.lattice.LatticeChecker.MCLC
    ase.lattice.LatticeChecker.ORC
    ase.lattice.LatticeChecker.ORCC
    ase.lattice.LatticeChecker.ORCF
    ase.lattice.LatticeChecker.ORCI
    ase.lattice.LatticeChecker.RHL
    ase.lattice.LatticeChecker.TET
    ase.lattice.LatticeChecker.TRI
    ase.lattice.LatticeChecker.__init__
    ase.lattice.LatticeChecker._bct_orci_lengths
    ase.lattice.LatticeChecker._check
    ase.lattice.LatticeChecker._orcc_ab
    ase.lattice.LatticeChecker.match
    ase.lattice.LatticeChecker.query
    ase.lattice.MCL
    ase.lattice.MCL.__init__
    ase.lattice.MCL._cell
    ase.lattice.MCL._special_points
    ase.lattice.MCL._variant_name
    ase.lattice.MCLC
    ase.lattice.MCLC.__init__
    ase.lattice.MCLC._cell
    ase.lattice.MCLC._special_points
    ase.lattice.MCLC._variant_name
    ase.lattice.OBL
    ase.lattice.OBL.__init__
    ase.lattice.OBL._cell
    ase.lattice.OBL._special_points
    ase.lattice.ORC
    ase.lattice.ORC._cell
    ase.lattice.ORCC
    ase.lattice.ORCC.__init__
    ase.lattice.ORCC._cell
    ase.lattice.ORCC._special_points
    ase.lattice.ORCF
    ase.lattice.ORCF._cell
    ase.lattice.ORCF._special_points
    ase.lattice.ORCF._variant_name
    ase.lattice.ORCI
    ase.lattice.ORCI._cell
    ase.lattice.ORCI._special_points
    ase.lattice.Orthorhombic
    ase.lattice.Orthorhombic.__init__
    ase.lattice.RECT
    ase.lattice.RECT.__init__
    ase.lattice.RECT._cell
    ase.lattice.RHL
    ase.lattice.RHL.__init__
    ase.lattice.RHL._cell
    ase.lattice.RHL._special_points
    ase.lattice.RHL._variant_name
    ase.lattice.SQR
    ase.lattice.SQR.__init__
    ase.lattice.SQR._cell
    ase.lattice.TET
    ase.lattice.TET.__init__
    ase.lattice.TET._cell
    ase.lattice.TRI
    ase.lattice.TRI.__init__
    ase.lattice.TRI._cell
    ase.lattice.TRI._special_points
    ase.lattice.TRI._variant_name
    ase.lattice.UnconventionalLattice
    ase.lattice.UnsupportedLattice
    ase.lattice.Variant
    ase.lattice.Variant.__init__
    ase.lattice.Variant.__str__
    ase.lattice.all_variants
    ase.lattice.bravaisclass
    ase.lattice.celldiff
    ase.lattice.check_mcl
    ase.lattice.check_orc
    ase.lattice.get_2d_bravais_lattice
    ase.lattice.get_lattice_from_canonical_cell
    ase.lattice.get_subset_points
    ase.lattice.identify_lattice
5 items passed all tests:
   6 tests in ase.lattice.BravaisLattice
   1 tests in ase.lattice.BravaisLattice.bandpath
   1 tests in ase.lattice.BravaisLattice.special_path
   1 tests in ase.lattice.BravaisLattice.special_point_names
   1 tests in ase.lattice.BravaisLattice.variant
10 tests in 133 items.
10 passed and 0 failed.
Test passed.
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_doctest_ase_lattice_0
Global seed for "test/test_doctests.py:test_doctest" was: 11075
test_doctests.py::test_doctest[ase.phasediagram] Trying:
    from ase.phasediagram import Pourbaix, solvated
Expecting nothing
ok
Trying:
    refs = solvated('CoO') + [
        ('Co', 0.0),
        ('CoO', -2.509),
        ('Co3O4', -9.402)]
Expecting nothing
ok
Trying:
    pb = Pourbaix(refs, Co=3, O=4)
Expecting nothing
ok
Trying:
    coefs, energy = pb.decompose(U=1.5, pH=0,
                                 concentration=1e-6,
                                 verbose=True)
Expecting:
    0    HCoO2-(aq)    -3.974
    1    CoO2--(aq)    -3.098
    2    H2O(aq)       -2.458
    3    CoOH+(aq)     -2.787
    4    CoO(aq)       -2.265
    5    CoOH++(aq)    -1.355
    6    Co++(aq)      -0.921
    7    H+(aq)         0.000
    8    Co+++(aq)      1.030
    9    Co             0.000
    10   CoO           -2.509
    11   Co3O4         -9.402
    12   e-            -1.500
    reference    coefficient      energy
    ------------------------------------
    H2O(aq)                4      -2.458
    Co++(aq)               3      -0.921
    H+(aq)                -8       0.000
    e-                    -2      -1.500
    ------------------------------------
    Total energy:                 -9.596
    ------------------------------------
ok
18 items had no tests:
    ase.phasediagram
    ase.phasediagram.PhaseDiagram
    ase.phasediagram.PhaseDiagram.__init__
    ase.phasediagram.PhaseDiagram.decompose
    ase.phasediagram.PhaseDiagram.plot
    ase.phasediagram.PhaseDiagram.plot2d2
    ase.phasediagram.PhaseDiagram.plot2d3
    ase.phasediagram.PhaseDiagram.plot3d3
    ase.phasediagram.PhaseDiagram.plot3d4
    ase.phasediagram.Pourbaix
    ase.phasediagram.Pourbaix.__init__
    ase.phasediagram.Pourbaix.colorfunction
    ase.phasediagram.Pourbaix.diagram
    ase.phasediagram.bisect
    ase.phasediagram.float2str
    ase.phasediagram.parse_formula
    ase.phasediagram.print_results
    ase.phasediagram.solvated
1 items passed all tests:
   4 tests in ase.phasediagram.Pourbaix.decompose
4 tests in 19 items.
4 passed and 0 failed.
Test passed.
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_doctest_ase_phasediagram_0
Global seed for "test/test_doctests.py:test_doctest" was: 11075
test_doctests.py::test_doctest[ase.spacegroup.spacegroup] Trying:
    from ase.spacegroup import Spacegroup
Expecting nothing
ok
Trying:
    sg = Spacegroup(225)
Expecting nothing
ok
Trying:
    print('Space group', sg.no, sg.symbol)
Expecting:
    Space group 225 F m -3 m
ok
Trying:
    sg.scaled_primitive_cell
Expecting:
    array([[ 0. ,  0.5,  0.5],
           [ 0.5,  0. ,  0.5],
           [ 0.5,  0.5,  0. ]])
ok
Trying:
    sites, kinds = sg.equivalent_sites([[0,0,0]])
Expecting nothing
ok
Trying:
    sites
Expecting:
    array([[ 0. ,  0. ,  0. ],
           [ 0. ,  0.5,  0.5],
           [ 0.5,  0. ,  0.5],
           [ 0.5,  0.5,  0. ]])
ok
Trying:
    from ase.spacegroup import Spacegroup
Expecting nothing
ok
Trying:
    sg = Spacegroup(225)  # fcc
Expecting nothing
ok
Trying:
    sg.equivalent_lattice_points([[0, 0, 2]])
Expecting:
    array([[ 0,  0, -2],
           [ 0, -2,  0],
           [-2,  0,  0],
           [ 2,  0,  0],
           [ 0,  2,  0],
           [ 0,  0,  2]])
ok
Trying:
    from ase.spacegroup import Spacegroup
Expecting nothing
ok
Trying:
    sg = Spacegroup(225)  # fcc
Expecting nothing
ok
Trying:
    sg.equivalent_reflections([[0, 0, 2]])
Expecting:
    array([[ 0,  0, -2],
           [ 0, -2,  0],
           [-2,  0,  0],
           [ 2,  0,  0],
           [ 0,  2,  0],
           [ 0,  0,  2]])
ok
Trying:
    from ase.spacegroup import Spacegroup
Expecting nothing
ok
Trying:
    sg = Spacegroup(225)  # fcc
Expecting nothing
ok
Trying:
    sites, kinds = sg.equivalent_sites([[0, 0, 0], [0.5, 0.0, 0.0]])
Expecting nothing
ok
Trying:
    sites
Expecting:
    array([[ 0. ,  0. ,  0. ],
           [ 0. ,  0.5,  0.5],
           [ 0.5,  0. ,  0.5],
           [ 0.5,  0.5,  0. ],
           [ 0.5,  0. ,  0. ],
           [ 0. ,  0.5,  0. ],
           [ 0. ,  0. ,  0.5],
           [ 0.5,  0.5,  0.5]])
ok
Trying:
    kinds
Expecting:
    [0, 0, 0, 0, 1, 1, 1, 1]
ok
Trying:
    from ase.spacegroup import Spacegroup
Expecting nothing
ok
Trying:
    sg = Spacegroup(225)  # fcc
Expecting nothing
ok
Trying:
    sg.symmetry_normalised_reflections([[2, 0, 0], [0, 2, 0]])
Expecting:
    array([[ 0,  0, -2],
           [ 0,  0, -2]])
ok
Trying:
    from ase.spacegroup import Spacegroup
Expecting nothing
ok
Trying:
    sg = Spacegroup(225)  # fcc
Expecting nothing
ok
Trying:
    sg.symmetry_normalised_sites([[0.0, 0.5, 0.5], [1.0, 1.0, 0.0]])
Expecting:
    array([[ 0.,  0.,  0.],
           [ 0.,  0.,  0.]])
ok
Trying:
    from ase.spacegroup import Spacegroup
Expecting nothing
ok
Trying:
    sg = Spacegroup(225)  # fcc
Expecting nothing
ok
Trying:
    sg.tag_sites([[0.0, 0.0, 0.0],
                  [0.5, 0.5, 0.0],
                  [1.0, 0.0, 0.0],
                  [0.5, 0.0, 0.0]])
Expecting:
    array([0, 0, 0, 1])
ok
Trying:
    from ase.spacegroup import Spacegroup
Expecting nothing
ok
Trying:
    sg = Spacegroup(225)  # fcc
Expecting nothing
ok
Trying:
    sg.unique_reflections([[ 2,  0,  0],
                           [ 0, -2,  0],
                           [ 2,  2,  0],
                           [ 0, -2, -2]])
Expecting:
    array([[2, 0, 0],
           [2, 2, 0]])
ok
Trying:
    from ase.spacegroup import Spacegroup
Expecting nothing
ok
Trying:
    sg = Spacegroup(225)  # fcc
Expecting nothing
ok
Trying:
    sg.unique_sites([[0.0, 0.0, 0.0],
                     [0.5, 0.5, 0.0],
                     [1.0, 0.0, 0.0],
                     [0.5, 0.0, 0.0]])
Expecting:
    array([[ 0. ,  0. ,  0. ],
           [ 0.5,  0. ,  0. ]])
ok
Trying:
    symlist = [
        'x,y,z',
        '-y+1/2,x+1/2,z',
        '-y,-x,-z',
        'x-1/4, y-1/4, -z'
    ]
Expecting nothing
ok
Trying:
    rot, trans = parse_sitesym(symlist)
Expecting nothing
ok
Trying:
    rot
Expecting:
    array([[[ 1,  0,  0],
            [ 0,  1,  0],
            [ 0,  0,  1]],
    <BLANKLINE>
           [[ 0, -1,  0],
            [ 1,  0,  0],
            [ 0,  0,  1]],
    <BLANKLINE>
           [[ 0, -1,  0],
            [-1,  0,  0],
            [ 0,  0, -1]],
    <BLANKLINE>
           [[ 1,  0,  0],
            [ 0,  1,  0],
            [ 0,  0, -1]]])
ok
Trying:
    trans
Expecting:
    array([[ 0.  ,  0.  ,  0.  ],
           [ 0.5 ,  0.5 ,  0.  ],
           [ 0.  ,  0.  ,  0.  ],
           [-0.25, -0.25,  0.  ]])
ok
Trying:
    parse_sitesym_element("x")
Expecting:
    ([(0, 1)], 0.0)
ok
Trying:
    parse_sitesym_element("-1/2-y")
Expecting:
    ([(1, -1)], -0.5)
ok
Trying:
    parse_sitesym_element("z+0.25")
Expecting:
    ([(2, 1)], 0.25)
ok
Trying:
    parse_sitesym_element("x-z+0.5")
Expecting:
    ([(0, 1), (2, -1)], 0.5)
ok
37 items had no tests:
    ase.spacegroup.spacegroup
    ase.spacegroup.spacegroup.Spacegroup.__eq__
    ase.spacegroup.spacegroup.Spacegroup.__index__
    ase.spacegroup.spacegroup.Spacegroup.__init__
    ase.spacegroup.spacegroup.Spacegroup.__lt__
    ase.spacegroup.spacegroup.Spacegroup.__ne__
    ase.spacegroup.spacegroup.Spacegroup.__repr__
    ase.spacegroup.spacegroup.Spacegroup.__str__
    ase.spacegroup.spacegroup.Spacegroup._get_nsymop
    ase.spacegroup.spacegroup.Spacegroup.centrosymmetric
    ase.spacegroup.spacegroup.Spacegroup.get_op
    ase.spacegroup.spacegroup.Spacegroup.get_rotations
    ase.spacegroup.spacegroup.Spacegroup.get_symop
    ase.spacegroup.spacegroup.Spacegroup.lattice
    ase.spacegroup.spacegroup.Spacegroup.no
    ase.spacegroup.spacegroup.Spacegroup.nsubtrans
    ase.spacegroup.spacegroup.Spacegroup.nsymop
    ase.spacegroup.spacegroup.Spacegroup.reciprocal_cell
    ase.spacegroup.spacegroup.Spacegroup.rotations
    ase.spacegroup.spacegroup.Spacegroup.scaled_primitive_cell
    ase.spacegroup.spacegroup.Spacegroup.setting
    ase.spacegroup.spacegroup.Spacegroup.subtrans
    ase.spacegroup.spacegroup.Spacegroup.symbol
    ase.spacegroup.spacegroup.Spacegroup.todict
    ase.spacegroup.spacegroup.Spacegroup.translations
    ase.spacegroup.spacegroup.SpacegroupError
    ase.spacegroup.spacegroup.SpacegroupNotFoundError
    ase.spacegroup.spacegroup.SpacegroupValueError
    ase.spacegroup.spacegroup._read_datafile
    ase.spacegroup.spacegroup._read_datafile_entry
    ase.spacegroup.spacegroup._skip_to_blank
    ase.spacegroup.spacegroup._skip_to_nonblank
    ase.spacegroup.spacegroup.format_symbol
    ase.spacegroup.spacegroup.get_datafile
    ase.spacegroup.spacegroup.get_spacegroup
    ase.spacegroup.spacegroup.parse_sitesym_single
    ase.spacegroup.spacegroup.spacegroup_from_data
11 items passed all tests:
   6 tests in ase.spacegroup.spacegroup.Spacegroup
   3 tests in ase.spacegroup.spacegroup.Spacegroup.equivalent_lattice_points
   3 tests in ase.spacegroup.spacegroup.Spacegroup.equivalent_reflections
   5 tests in ase.spacegroup.spacegroup.Spacegroup.equivalent_sites
   3 tests in ase.spacegroup.spacegroup.Spacegroup.symmetry_normalised_reflections
   3 tests in ase.spacegroup.spacegroup.Spacegroup.symmetry_normalised_sites
   3 tests in ase.spacegroup.spacegroup.Spacegroup.tag_sites
   3 tests in ase.spacegroup.spacegroup.Spacegroup.unique_reflections
   3 tests in ase.spacegroup.spacegroup.Spacegroup.unique_sites
   4 tests in ase.spacegroup.spacegroup.parse_sitesym
   4 tests in ase.spacegroup.spacegroup.parse_sitesym_element
40 tests in 48 items.
40 passed and 0 failed.
Test passed.
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_doctest_ase_spacegroup_sp0
Global seed for "test/test_doctests.py:test_doctest" was: 11075
test_doctests.py::test_doctest[ase.spacegroup.xtal] Trying:
    diamond = crystal('C', [(0,0,0)], spacegroup=227,
        cellpar=[3.57, 3.57, 3.57, 90, 90, 90], size=(2,1,1))
Expecting nothing
ok
Trying:
    skutterudite = crystal(('Co', 'Sb'),
        basis=[(0.25,0.25,0.25), (0.0, 0.335, 0.158)],
        spacegroup=204, cellpar=[9.04, 9.04, 9.04, 90, 90, 90])
Expecting nothing
ok
Trying:
    len(skutterudite)
Expecting:
    32
ok
2 items had no tests:
    ase.spacegroup.xtal
    ase.spacegroup.xtal.parse_symbols
1 items passed all tests:
   3 tests in ase.spacegroup.xtal.crystal
3 tests in 3 items.
3 passed and 0 failed.
Test passed.
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_doctest_ase_spacegroup_xt0
Global seed for "test/test_doctests.py:test_doctest" was: 11075
test_doctests.py::test_doctest[ase.symbols] Trying:
    from ase.build import molecule
Expecting nothing
ok
Trying:
    atoms = molecule('CH3CH2OH')
Expecting nothing
ok
Trying:
    atoms.symbols
Expecting:
    Symbols('C2OH6')
ok
Trying:
    atoms.symbols[:3]
Expecting:
    Symbols('C2O')
ok
Trying:
    atoms.symbols == 'H'
Expecting:
    array([False, False, False,  True,  True,  True,  True,  True,  True], dtype=bool)
ok
Trying:
    atoms.symbols[-3:] = 'Pu'
Expecting nothing
ok
Trying:
    atoms.symbols
Expecting:
    Symbols('C2OH3Pu3')
ok
Trying:
    atoms.symbols[3:6] = 'Mo2U'
Expecting nothing
ok
Trying:
    atoms.symbols
Expecting:
    Symbols('C2OMo2UPu3')
ok
Trying:
    atoms.symbols.formula
Expecting:
    Formula('C2OMo2UPu3')
ok
Trying:
    from ase.build import molecule
Expecting nothing
ok
Trying:
    atoms = molecule('CH3CH2OH')
Expecting nothing
ok
Trying:
    atoms.symbols.indices()
Expecting:
    {'C': array([0, 1]), 'O': array([2]), 'H': array([3, 4, 5, 6, 7, 8])}
ok
16 items had no tests:
    ase.symbols
    ase.symbols.Symbols.__eq__
    ase.symbols.Symbols.__getitem__
    ase.symbols.Symbols.__init__
    ase.symbols.Symbols.__iter__
    ase.symbols.Symbols.__len__
    ase.symbols.Symbols.__repr__
    ase.symbols.Symbols.__setitem__
    ase.symbols.Symbols.__str__
    ase.symbols.Symbols.formula
    ase.symbols.Symbols.fromsymbols
    ase.symbols.Symbols.get_chemical_formula
    ase.symbols.Symbols.search
    ase.symbols.Symbols.species
    ase.symbols.string2symbols
    ase.symbols.symbols2numbers
2 items passed all tests:
  10 tests in ase.symbols.Symbols
   3 tests in ase.symbols.Symbols.indices
13 tests in 18 items.
13 passed and 0 failed.
Test passed.
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_doctest_ase_symbols_0
Global seed for "test/test_doctests.py:test_doctest" was: 11075
test_dos.py::test_dos 1 0.9299626898963925 0.18743848860920487
2 0.9927495451884892 0.030735387638790024
3 0.9992955629260614 0.060287773052963956
PASSEDGlobal seed for "test/test_dos.py:test_dos" was: 8232
test_eam.py::test_eam Cohesive Energy for Al =  -3.3662847608919377  eV
read/write check error =  -2.4143771740762467e-08
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_eam0
Global seed for "test/test_eam.py:test_eam" was: 1709
test_eam_run.py::test_eam_run PASSEDGlobal seed for "test/test_eam_run.py:test_eam_run" was: 10300
test_eos.py::test_eos sj                   31.86600646 -0.00976172 0.24674496 
taylor               31.86551108 -0.00976228 0.24698302 
murnaghan            31.86614695 -0.00976145 0.24665974 
birch                31.86576826 -0.00976213 0.24687770 
birchmurnaghan       31.86576826 -0.00976213 0.24687770 
pouriertarantola     31.86609821 -0.00976151 0.24668405 
vinet                31.86606907 -0.00976149 0.24668778 
p3                   31.86551135 -0.00976228 0.24698311 
[6.35869880e-04 8.29123695e-07 3.23364930e-04]
[ 3.18658600e+01 -9.76187373e-03  2.46812256e-01]
PASSEDGlobal seed for "test/test_eos.py:test_eos" was: 2762
test_example.py::test_example                 Step[ FC]     Time          Energy          fmax
BFGSLineSearch:    0[  0] 09:18:30       -9.478877        7.6030
BFGSLineSearch:    1[  3] 09:18:30      -11.689694        1.6288
BFGSLineSearch:    2[  5] 09:18:30      -11.699567        0.1494
BFGSLineSearch:    3[  7] 09:18:30      -11.699621        0.0730
BFGSLineSearch:    4[  9] 09:18:30      -11.699646        0.0007
Atoms(symbols='H7', pbc=False, constraint=FixAtoms(indices=[0, 1, 2, 3, 4, 5]), calculator=MorsePotential(...))
Atoms(symbols='H6', pbc=False, constraint=FixAtoms(indices=[0, 1, 2, 3, 4, 5]), calculator=MorsePotential(...))
Atoms(symbols='H5', pbc=False, constraint=FixAtoms(indices=[0, 1, 2, 3, 4]), calculator=MorsePotential(...))
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_example0
Global seed for "test/test_example.py:test_example" was: 10997
test_external_viewer.py::test_view_ase PASSEDGlobal seed for "test/test_external_viewer.py:test_view_ase" was: 7205
test_external_viewer.py::test_view_ase_via_cli PASSEDGlobal seed for "test/test_external_viewer.py:test_view_ase_via_cli" was: 6540
test_external_viewer.py::test_bad_viewer PASSEDGlobal seed for "test/test_external_viewer.py:test_bad_viewer" was: 7886
test_external_viewer.py::test_py_viewer_mock viewing Atoms(symbols='Au', pbc=True, cell=[[0.0, 2.04, 2.04], [2.04, 0.0, 2.04], [2.04, 2.04, 0.0]]) with mock "sage"
viewing Atoms(symbols='Au8', pbc=True, cell=[[0.0, 4.08, 4.08], [4.08, 0.0, 4.08], [4.08, 4.08, 0.0]]) with mock "sage"
PASSEDGlobal seed for "test/test_external_viewer.py:test_py_viewer_mock" was: 10738
test_external_viewer.py::test_cli_viewer_tempfile[viewer0] PASSEDGlobal seed for "test/test_external_viewer.py:test_cli_viewer_tempfile" was: 12265
test_external_viewer.py::test_cli_viewer_tempfile[viewer1] PASSEDGlobal seed for "test/test_external_viewer.py:test_cli_viewer_tempfile" was: 12265
test_external_viewer.py::test_cli_viewer_tempfile[viewer2] PASSEDGlobal seed for "test/test_external_viewer.py:test_cli_viewer_tempfile" was: 12265
test_external_viewer.py::test_cli_viewer_tempfile[viewer3] PASSEDGlobal seed for "test/test_external_viewer.py:test_cli_viewer_tempfile" was: 12265
test_external_viewer.py::test_cli_viewer_tempfile[viewer4] PASSEDGlobal seed for "test/test_external_viewer.py:test_cli_viewer_tempfile" was: 12265
test_external_viewer.py::test_cli_viewer_tempfile[viewer5] PASSEDGlobal seed for "test/test_external_viewer.py:test_cli_viewer_tempfile" was: 12265
test_external_viewer.py::test_cli_viewer_blocking /tmp/ase-view-mpomw88v/atoms.traj: ASE trajectory (traj)
PASSEDGlobal seed for "test/test_external_viewer.py:test_cli_viewer_blocking" was: 4075
test_external_viewer.py::test_cli_viewer <frozen runpy>:128: RuntimeWarning: 'ase.visualize.external' found in sys.modules after import of package 'ase.visualize', but prior to execution of 'ase.visualize.external'; this may result in unpredictable behaviour
/tmp/ase-view-bz7tqnae/atoms.traj: ASE trajectory (traj)
PASSEDGlobal seed for "test/test_external_viewer.py:test_cli_viewer" was: 7872
test_filecache.py::test_basic PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_basic0
Global seed for "test/test_filecache.py:test_basic" was: 8936
test_filecache.py::test_cache[dct0] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_cache_dct0_0
Global seed for "test/test_filecache.py:test_cache" was: 5534
test_filecache.py::test_cache[dct1] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_cache_dct1_0
Global seed for "test/test_filecache.py:test_cache" was: 5534
test_filecache.py::test_combine PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_combine0
Global seed for "test/test_filecache.py:test_combine" was: 3790
test_filecache.py::test_split PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_split0
Global seed for "test/test_filecache.py:test_split" was: 3149
test_filecache.py::test_lock PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_lock0
Global seed for "test/test_filecache.py:test_lock" was: 11190
test_filecache.py::test_already_locked PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_already_locked0
Global seed for "test/test_filecache.py:test_already_locked" was: 12099
test_filecache.py::test_no_overwrite_combine PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_no_overwrite_combine0
Global seed for "test/test_filecache.py:test_no_overwrite_combine" was: 8038
test_forcecurve.py::test_forcecurve SKIPPED (could not import 'matpl...)
test_formula.py::test_formula_things PASSEDGlobal seed for "test/test_formula.py:test_formula_things" was: 11524
test_formula.py::test_atoms_formula_things PASSEDGlobal seed for "test/test_formula.py:test_atoms_formula_things" was: 6234
test_formula.py::test_h0c1 PASSEDGlobal seed for "test/test_formula.py:test_h0c1" was: 10323
test_formula.py::test_formula '' -> ''
'' -> ''
'' -> ''
'' -> ''
'' -> ''
'' -> ''
'Pu' -> 'Pu'
'Pu' -> 'Pu'
'Pu' -> 'Pu'
'Pu' -> 'Pu'
'Pu' -> 'Pu'
'Pu' -> 'Pu'
'Pu2' -> 'PuPu'
'Pu2' -> 'Pu2'
'Pu2' -> 'Pu2'
'Pu2' -> 'Pu'
'Pu2' -> 'Pu2'
'Pu2' -> 'Pu'
'U2Pu2' -> 'UUPuPu'
'U2Pu2' -> 'U2Pu2'
'U2Pu2' -> 'Pu2U2'
'U2Pu2' -> 'PuU'
'U2Pu2' -> 'Pu2U2'
'U2Pu2' -> 'PuU'
'U2((Pu2)2H)' -> 'UUPuPuPuPuH'
'U2((Pu2)2H)' -> 'U2Pu4H'
'U2((Pu2)2H)' -> 'HPu4U2'
'U2((Pu2)2H)' -> 'HPu4U2'
'U2((Pu2)2H)' -> 'Pu4U2H'
'U2((Pu2)2H)' -> 'Pu4U2H'
PASSEDGlobal seed for "test/test_formula.py:test_formula" was: 6655
test_formula.py::test_convert PASSEDGlobal seed for "test/test_formula.py:test_convert" was: 9239
test_formula.py::test_formulas[H2O] {'H': 2, 'O': 1} H$_{2}$O
PASSEDGlobal seed for "test/test_formula.py:test_formulas" was: 5700
test_formula.py::test_formulas[10H2O] {'H': 20, 'O': 10} 10H$_{2}$O
PASSEDGlobal seed for "test/test_formula.py:test_formulas" was: 5700
test_formula.py::test_formulas[2(CuO2(H2O)2)10] {'Cu': 20, 'O': 80, 'H': 80} 2(CuO$_{2}$(H$_{2}$O)$_{2}$)$_{10}$
PASSEDGlobal seed for "test/test_formula.py:test_formulas" was: 5700
test_formula.py::test_formulas[Cu20+H2] {'Cu': 20, 'H': 2} Cu$_{20}$+H$_{2}$
PASSEDGlobal seed for "test/test_formula.py:test_formulas" was: 5700
test_formula.py::test_formulas[HHHHHHHHHHHHHHH] {'H': 15} HHHHHHHHHHHHHHH
PASSEDGlobal seed for "test/test_formula.py:test_formulas" was: 5700
test_formula.py::test_formulas[AuBC2] {'Au': 1, 'B': 1, 'C': 2} AuBC$_{2}$
PASSEDGlobal seed for "test/test_formula.py:test_formulas" was: 5700
test_formula.py::test_formulas[] {} 
PASSEDGlobal seed for "test/test_formula.py:test_formulas" was: 5700
test_geometry.py::test_geometry PASSEDGlobal seed for "test/test_geometry.py:test_geometry" was: 7359
test_geometry_derivatives.py::test_atoms_angle PASSEDGlobal seed for "test/test_geometry_derivatives.py:test_atoms_angle" was: 3644
test_hcp.py::test_hcp 2.4890 1.633
Optimization terminated successfully.
         Current function value: -0.029765
         Iterations: 2
         Function evaluations: 15
         Gradient evaluations: 5
2.4657 1.632
Optimization terminated successfully.
         Current function value: -0.029749
         Iterations: 2
         Function evaluations: 15
         Gradient evaluations: 5
2.4665 1.632
Optimization terminated successfully.
         Current function value: -0.029741
         Iterations: 2
         Function evaluations: 12
         Gradient evaluations: 4
2.4665 1.632
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_hcp0
Global seed for "test/test_hcp.py:test_hcp" was: 8078
test_imports.py::test_imports PASSEDGlobal seed for "test/test_imports.py:test_imports" was: 10421
test_isotopes.py::test_isotopes PASSEDGlobal seed for "test/test_isotopes.py:test_isotopes" was: 9233
test_issue276.py::test_issue276 PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_issue2760
Global seed for "test/test_issue276.py:test_issue276" was: 3968
test_kpts.py::test_kpts BandPath(path='GX,GX', cell=[3x3], special_points={GMRX}, kpts=[6x3])
PASSEDGlobal seed for "test/test_kpts.py:test_kpts" was: 9584
test_kpts2kpts.py::test_kpts2kpts[lat0] 
CUB(a=3)
cell Cell([3.0, 3.0, 3.0])
Original BandPath(path='GXMGRX,MR', cell=[3x3], special_points={GMRX}, kpts=[40x3])
path {'path': 'GXMGRX,MR'}
Produced by kpts2kpts BandPath(path='GXMGRX,MR', cell=[3x3], special_points={GMRX}, kpts=[40x3])
PASSEDGlobal seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045
test_kpts2kpts.py::test_kpts2kpts[lat1] 
FCC(a=3)
cell Cell([[0.0, 1.5, 1.5], [1.5, 0.0, 1.5], [1.5, 1.5, 0.0]])
Original BandPath(path='GXWKGLUWLK,UX', cell=[3x3], special_points={GKLUWX}, kpts=[67x3])
path {'path': 'GXWKGLUWLK,UX'}
Produced by kpts2kpts BandPath(path='GXWKGLUWLK,UX', cell=[3x3], special_points={GKLUWX}, kpts=[67x3])
PASSEDGlobal seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045
test_kpts2kpts.py::test_kpts2kpts[lat2] 
BCC(a=3)
cell Cell([[-1.5, 1.5, 1.5], [1.5, -1.5, 1.5], [1.5, 1.5, -1.5]])
Original BandPath(path='GHNGPH,PN', cell=[3x3], special_points={GHNP}, kpts=[49x3])
path {'path': 'GHNGPH,PN'}
Produced by kpts2kpts BandPath(path='GHNGPH,PN', cell=[3x3], special_points={GHNP}, kpts=[49x3])
PASSEDGlobal seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045
test_kpts2kpts.py::test_kpts2kpts[lat3] 
TET(a=3, c=5)
cell Cell([3.0, 3.0, 5.0])
Original BandPath(path='GXMGZRAZ,XR,MA', cell=[3x3], special_points={AGMRXZ}, kpts=[45x3])
path {'path': 'GXMGZRAZ,XR,MA'}
Produced by kpts2kpts BandPath(path='GXMGZRAZ,XR,MA', cell=[3x3], special_points={AGMRXZ}, kpts=[45x3])
PASSEDGlobal seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045
test_kpts2kpts.py::test_kpts2kpts[lat4] 
BCT(a=6, c=5)
cell Cell([[-3.0, 3.0, 2.5], [3.0, -3.0, 2.5], [3.0, 3.0, -2.5]])
Original BandPath(path='GXMGZPNZ1M,XP', cell=[3x3], special_points={GMNPXZZ1}, kpts=[32x3])
path {'path': 'GXMGZPNZ1M,XP'}
Produced by kpts2kpts BandPath(path='GXMGZPNZ1M,XP', cell=[3x3], special_points={GMNPXZZ1}, kpts=[32x3])
PASSEDGlobal seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045
test_kpts2kpts.py::test_kpts2kpts[lat5] 
BCT(a=3, c=5)
cell Cell([[-1.5, 1.5, 2.5], [1.5, -1.5, 2.5], [1.5, 1.5, -2.5]])
Original BandPath(path='GXYSGZS1NPY1Z,XP', cell=[3x3], special_points={GNPSS1XYY1Z}, kpts=[51x3])
path {'path': 'GXYSGZS1NPY1Z,XP'}
Produced by kpts2kpts BandPath(path='GXYSGZS1NPY1Z,XP', cell=[3x3], special_points={GNPSS1XYY1Z}, kpts=[51x3])
PASSEDGlobal seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045
test_kpts2kpts.py::test_kpts2kpts[lat6] 
ORC(a=3, b=4, c=5)
cell Cell([3.0, 4.0, 5.0])
Original BandPath(path='GXSYGZURTZ,YT,UX,SR', cell=[3x3], special_points={GRSTUXYZ}, kpts=[49x3])
path {'path': 'GXSYGZURTZ,YT,UX,SR'}
Produced by kpts2kpts BandPath(path='GXSYGZURTZ,YT,UX,SR', cell=[3x3], special_points={GRSTUXYZ}, kpts=[49x3])
PASSEDGlobal seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045
test_kpts2kpts.py::test_kpts2kpts[lat7] 
ORCF(a=1.56174, b=4, c=5)
cell Cell([[0.0, 2.0, 2.5], [0.7808688094430303, 0.0, 2.5], [0.7808688094430303, 2.0, 0.0]])
Original BandPath(path='GYTZGXA1Y,TX1,XAZ,LG', cell=[3x3], special_points={AA1GLTXX1YZ}, kpts=[95x3])
path {'path': 'GYTZGXA1Y,TX1,XAZ,LG'}
Produced by kpts2kpts BandPath(path='GYTZGXA1Y,TX1,XAZ,LG', cell=[3x3], special_points={AA1GLTXX1YZ}, kpts=[95x3])
PASSEDGlobal seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045
test_kpts2kpts.py::test_kpts2kpts[lat8] 
ORCF(a=3.74817, b=4, c=5)
cell Cell([[0.0, 2.0, 2.5], [1.8740851426632725, 0.0, 2.5], [1.8740851426632725, 2.0, 0.0]])
Original BandPath(path='GYCDXGZD1HC,C1Z,XH1,HY,LG', cell=[3x3], special_points={CC1DD1GHH1LXYZ}, kpts=[68x3])
path {'path': 'GYCDXGZD1HC,C1Z,XH1,HY,LG'}
Produced by kpts2kpts BandPath(path='GYCDXGZD1HC,C1Z,XH1,HY,LG', cell=[3x3], special_points={CC1DD1GHH1LXYZ}, kpts=[68x3])
PASSEDGlobal seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045
test_kpts2kpts.py::test_kpts2kpts[lat9] 
ORCF(a=3.12348, b=4, c=5)
cell Cell([[0.0, 2.0, 2.5], [1.5617376188860606, 0.0, 2.5], [1.5617376188860606, 2.0, 0.0]])
Original BandPath(path='GYTZGXA1Y,XAZ,LG', cell=[3x3], special_points={AA1GLTXX1YZ}, kpts=[73x3])
path {'path': 'GYTZGXA1Y,XAZ,LG'}
Produced by kpts2kpts BandPath(path='GYTZGXA1Y,XAZ,LG', cell=[3x3], special_points={AA1GLTXX1YZ}, kpts=[73x3])
PASSEDGlobal seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045
test_kpts2kpts.py::test_kpts2kpts[lat10] 
ORCI(a=3, b=4, c=5)
cell Cell([[-1.5, 2.0, 2.5], [1.5, -2.0, 2.5], [1.5, 2.0, -2.5]])
Original BandPath(path='GXLTWRX1ZGYSW,L1Y,Y1Z', cell=[3x3], special_points={GLL1L2RSTWXX1YY1Z}, kpts=[53x3])
path {'path': 'GXLTWRX1ZGYSW,L1Y,Y1Z'}
Produced by kpts2kpts BandPath(path='GXLTWRX1ZGYSW,L1Y,Y1Z', cell=[3x3], special_points={GLL1L2RSTWXX1YY1Z}, kpts=[53x3])
PASSEDGlobal seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045
test_kpts2kpts.py::test_kpts2kpts[lat11] 
ORCC(a=3, b=4, c=5)
cell Cell([[1.5, -2.0, 0.0], [1.5, 2.0, 0.0], [0.0, 0.0, 5.0]])
Original BandPath(path='GXSRAZGYX1A1TY,ZT', cell=[3x3], special_points={AA1GRSTXX1YZ}, kpts=[59x3])
path {'path': 'GXSRAZGYX1A1TY,ZT'}
Produced by kpts2kpts BandPath(path='GXSRAZGYX1A1TY,ZT', cell=[3x3], special_points={AA1GRSTXX1YZ}, kpts=[59x3])
PASSEDGlobal seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045
test_kpts2kpts.py::test_kpts2kpts[lat12] 
HEX(a=3, c=5)
cell Cell([[1.5, -2.598076211353316, 0.0], [1.5, 2.598076211353316, 0.0], [0.0, 0.0, 5.0]])
Original BandPath(path='GMKGALHA,LM,KH', cell=[3x3], special_points={AGHKLM}, kpts=[42x3])
path {'path': 'GMKGALHA,LM,KH'}
Produced by kpts2kpts BandPath(path='GMKGALHA,LM,KH', cell=[3x3], special_points={AGHKLM}, kpts=[42x3])
PASSEDGlobal seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045
test_kpts2kpts.py::test_kpts2kpts[lat13] 
RHL(a=3, alpha=55)
cell Cell([[2.6610324995346653, -1.3852458397051017, 0.0], [2.6610324995346653, 1.3852458397051017, 0.0], [1.9399191584703033, 0.0, 2.2883866934152253]])
Original BandPath(path='GLB1,BZGX,QFP1Z,LP', cell=[3x3], special_points={BB1FGLL1PP1P2QXZ}, kpts=[48x3])
path {'path': 'GLB1,BZGX,QFP1Z,LP'}
Produced by kpts2kpts BandPath(path='GLB1,BZGX,QFP1Z,LP', cell=[3x3], special_points={BB1FGLL1PP1P2QXZ}, kpts=[48x3])
PASSEDGlobal seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045
test_kpts2kpts.py::test_kpts2kpts[lat14] 
RHL(a=3, alpha=105)
cell Cell([[1.826284287026162, -2.3800600208737057, 0.0], [1.826284287026162, 2.3800600208737057, 0.0], [-1.2754703210614213, 0.0, 2.7153591769950944]])
Original BandPath(path='GPZQGFP1Q1LZ', cell=[3x3], special_points={FGLPP1QQ1Z}, kpts=[52x3])
path {'path': 'GPZQGFP1Q1LZ'}
Produced by kpts2kpts BandPath(path='GPZQGFP1Q1LZ', cell=[3x3], special_points={FGLPP1QQ1Z}, kpts=[52x3])
PASSEDGlobal seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045
test_kpts2kpts.py::test_kpts2kpts[lat15] 
MCL(a=3, b=4, c=5, alpha=70)
cell Cell([[3.0, 0.0, 0.0], [0.0, 4.0, 0.0], [0.0, 1.7101007166283442, 4.698463103929542]])
Original BandPath(path='GYHCEM1AXH1,MDZ,YD', cell=[3x3], special_points={ACDD1EGHH1H2MM1M2XYY1Z}, kpts=[36x3])
path {'path': 'GYHCEM1AXH1,MDZ,YD'}
Produced by kpts2kpts BandPath(path='GYHCEM1AXH1,MDZ,YD', cell=[3x3], special_points={ACDD1EGHH1H2MM1M2XYY1Z}, kpts=[36x3])
PASSEDGlobal seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045
test_kpts2kpts.py::test_kpts2kpts[lat16] 
MCLC(a=3, b=4, c=5, alpha=80)
cell Cell([[1.5, 2.0, 0.0], [-1.5, 2.0, 0.0], [0.0, 0.8682408883346521, 4.92403876506104]])
Original BandPath(path='GYFLI,I1ZF1,YX1,XGN,MG', cell=[3x3], special_points={FF1F2F3GII1LMNN1XX1X2YY1Z}, kpts=[53x3])
path {'path': 'GYFLI,I1ZF1,YX1,XGN,MG'}
Produced by kpts2kpts BandPath(path='GYFLI,I1ZF1,YX1,XGN,MG', cell=[3x3], special_points={FF1F2F3GII1LMNN1XX1X2YY1Z}, kpts=[53x3])
PASSEDGlobal seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045
test_kpts2kpts.py::test_kpts2kpts[lat17] 
MCLC(a=5.4, b=4, c=10, alpha=80)
cell Cell([[2.7, 2.0, 0.0], [-2.7, 2.0, 0.0], [0.0, 1.7364817766693041, 9.84807753012208]])
Original BandPath(path='GYFHZIF1,H1Y1XGN,MG', cell=[3x3], special_points={FF1F2GHH1H2IMNN1XYY1Y2Y3Z}, kpts=[40x3])
path {'path': 'GYFHZIF1,H1Y1XGN,MG'}
Produced by kpts2kpts BandPath(path='GYFHZIF1,H1Y1XGN,MG', cell=[3x3], special_points={FF1F2GHH1H2IMNN1XYY1Y2Y3Z}, kpts=[40x3])
PASSEDGlobal seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045
test_kpts2kpts.py::test_kpts2kpts[lat18] 
MCLC(a=4, b=4, c=4.4, alpha=70)
cell Cell([[2.0, 2.0, 0.0], [-2.0, 2.0, 0.0], [0.0, 1.504888630632943, 4.134647531457997]])
Original BandPath(path='GYFLI,I1ZHF1,H1Y1XGN,MG', cell=[3x3], special_points={FF1F2GHH1H2II1LMNN1XYY1Y2Y3Z}, kpts=[49x3])
path {'path': 'GYFLI,I1ZHF1,H1Y1XGN,MG'}
Produced by kpts2kpts BandPath(path='GYFLI,I1ZHF1,H1Y1XGN,MG', cell=[3x3], special_points={FF1F2GHH1H2II1LMNN1XYY1Y2Y3Z}, kpts=[49x3])
PASSEDGlobal seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045
test_kpts2kpts.py::test_kpts2kpts[lat19] 
TRI(a=4.69894, b=4.24887, c=3.81674, alpha=52.8089, beta=59.8129, gamma=64.9431)
cell Cell([[4.698939955776828, 0.0, 0.0], [1.7994760209596927, 3.849001794597504, 0.0], [1.9191555212352256, 1.649572197684643, 2.8571428571428568]])
Original BandPath(path='XGY,LGZ,NGM,RG', cell=[3x3], special_points={GLMNRXYZ}, kpts=[35x3])
path {'path': 'XGY,LGZ,NGM,RG'}
Produced by kpts2kpts BandPath(path='XGY,LGZ,NGM,RG', cell=[3x3], special_points={GLMNRXYZ}, kpts=[35x3])
PASSEDGlobal seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045
test_kpts2kpts.py::test_kpts2kpts[lat20] 
TRI(a=4.62104, b=4.35346, c=4.04896, alpha=125.431, beta=112.904, gamma=91.7817)
cell Cell([[4.6210361858277755, 0.0, 0.0], [-0.13535438518689638, 4.3513576311075965, 0.0], [-1.57579510489717, -2.397427517649374, 2.8571428571428554]])
Original BandPath(path='XGY,LGZ,NGM,RG', cell=[3x3], special_points={GLMNRXYZ}, kpts=[33x3])
path {'path': 'XGY,LGZ,NGM,RG'}
Produced by kpts2kpts BandPath(path='XGY,LGZ,NGM,RG', cell=[3x3], special_points={GLMNRXYZ}, kpts=[33x3])
PASSEDGlobal seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045
test_kpts2kpts.py::test_kpts2kpts[lat21] 
TRI(a=4.35393, b=3.93691, c=3.59106, alpha=57.8533, beta=66.7383, gamma=77.8695)
cell Cell([[4.353927019882799, 0.0, 0.0], [0.8272948574276792, 3.849001794597502, 0.0], [1.418219755590302, 1.6495721976846436, 2.857142857142858]])
Original BandPath(path='XGY,LGZ,NGM,RG', cell=[3x3], special_points={GLMNRXYZ}, kpts=[36x3])
path {'path': 'XGY,LGZ,NGM,RG'}
Produced by kpts2kpts BandPath(path='XGY,LGZ,NGM,RG', cell=[3x3], special_points={GLMNRXYZ}, kpts=[36x3])
PASSEDGlobal seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045
test_kpts2kpts.py::test_kpts2kpts[lat22] 
TRI(a=5.27974, b=4.97402, c=4.92301, alpha=137.921, beta=130.746, gamma=61.0233)
cell Cell([[5.279738173763635, 0.0, 0.0], [2.40968740679927, 4.351357631107598, 0.0], [-3.213264097751237, -2.3974275176493727, 2.8571428571428554]])
Original BandPath(path='XGY,LGZ,NGM,RG', cell=[3x3], special_points={GLMNRXYZ}, kpts=[33x3])
path {'path': 'XGY,LGZ,NGM,RG'}
Produced by kpts2kpts BandPath(path='XGY,LGZ,NGM,RG', cell=[3x3], special_points={GLMNRXYZ}, kpts=[33x3])
PASSEDGlobal seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045
test_kpts2kpts.py::test_kpts2kpts[lat23] 
OBL(a=3, b=4, alpha=55)
cell Cell([[3.0, 0.0, 0.0], [2.2943057454041846, 3.276608177155967, 0.0], [0.0, 0.0, 1.0]])
Original BandPath(path='GYHCH1XG', cell=[3x3], special_points={CGHH1XY}, kpts=[25x3])
path {'path': 'GYHCH1XG'}
Produced by kpts2kpts BandPath(path='GYHCH1XG', cell=[3x3], special_points={CGHH1XY}, kpts=[25x3])
PASSEDGlobal seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045
test_kpts2kpts.py::test_kpts2kpts[lat24] 
RECT(a=3, b=4)
cell Cell([3.0, 4.0, 1.0])
Original BandPath(path='GXSYGS', cell=[3x3], special_points={GSXY}, kpts=[25x3])
path {'path': 'GXSYGS'}
Produced by kpts2kpts BandPath(path='GXSYGS', cell=[3x3], special_points={GSXY}, kpts=[25x3])
PASSEDGlobal seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045
test_kpts2kpts.py::test_kpts2kpts[lat25] 
CRECT(a=3, alpha=55)
cell Cell([[3.0, 0.0, 0.0], [1.7207293090531386, 2.4574561328669753, 0.0], [0.0, 0.0, 1.0]])
Original BandPath(path='GXA1YG', cell=[3x3], special_points={A1GXY}, kpts=[24x3])
path {'path': 'GXA1YG'}
Produced by kpts2kpts BandPath(path='GXA1YG', cell=[3x3], special_points={A1GXY}, kpts=[24x3])
PASSEDGlobal seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045
test_kpts2kpts.py::test_kpts2kpts[lat26] 
HEX2D(a=3)
cell Cell([[3.0, 0.0, 0.0], [-1.5, 2.598076211353316, 0.0], [0.0, -0.0, 1.0]])
Original BandPath(path='GMKG', cell=[3x3], special_points={GKM}, kpts=[17x3])
path {'path': 'GMKG'}
Produced by kpts2kpts BandPath(path='GMKG', cell=[3x3], special_points={GKM}, kpts=[17x3])
PASSEDGlobal seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045
test_kpts2kpts.py::test_kpts2kpts[lat27] 
SQR(a=3)
cell Cell([3.0, 3.0, 1.0])
Original BandPath(path='MGXM', cell=[3x3], special_points={GMX}, kpts=[18x3])
path {'path': 'MGXM'}
Produced by kpts2kpts BandPath(path='MGXM', cell=[3x3], special_points={GMX}, kpts=[18x3])
PASSEDGlobal seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045
test_kpts2kpts.py::test_kpts2kpts[lat28] 
LINE(a=3)
cell Cell([3.0, 1.0, 1.0])
Original BandPath(path='GX', cell=[3x3], special_points={GX}, kpts=[5x3])
path {'path': 'GX'}
Produced by kpts2kpts BandPath(path='GX', cell=[3x3], special_points={GX}, kpts=[5x3])
PASSEDGlobal seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045
test_kpts2kpts.py::test_kpts2kpts[lat29] 
OBL(a=3, b=4, alpha=110)
cell Cell([[3.0, 0.0, 0.0], [-1.3680805733026749, 3.7587704831436337, 0.0], [0.0, -0.0, 1.0]])
Original BandPath(path='GYHCH1XG', cell=[3x3], special_points={CGHH1XY}, kpts=[21x3])
path {'path': 'GYHCH1XG'}
Produced by kpts2kpts BandPath(path='GYHCH1XG', cell=[3x3], special_points={CGHH1XY}, kpts=[21x3])
PASSEDGlobal seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045
test_kpts2kpts.py::test_kpts2kpts[lat30] 
CRECT(a=3, alpha=110)
cell Cell([[3.0, 0.0, 0.0], [-1.0260604299770062, 2.8190778623577253, 0.0], [0.0, -0.0, 1.0]])
Original BandPath(path='GXA1YG', cell=[3x3], special_points={A1GXY}, kpts=[23x3])
path {'path': 'GXA1YG'}
Produced by kpts2kpts BandPath(path='GXA1YG', cell=[3x3], special_points={A1GXY}, kpts=[23x3])
PASSEDGlobal seed for "test/test_kpts2kpts.py:test_kpts2kpts" was: 3045
test_lattice_lindep.py::test_miller_lindep PASSEDGlobal seed for "test/test_lattice_lindep.py:test_miller_lindep" was: 11772
test_lattice_lindep.py::test_fcc_ok Cell([[3.61, 0.0, 0.0], [-1.805, 1.805, 0.0], [0.0, 0.0, 3.61]])
PASSEDGlobal seed for "test/test_lattice_lindep.py:test_fcc_ok" was: 11884
test_lattice_lindep.py::test_fcc_directions_linearly_dependent[directions0] PASSEDGlobal seed for "test/test_lattice_lindep.py:test_fcc_directions_linearly_dependent" was: 758
test_lattice_lindep.py::test_fcc_directions_linearly_dependent[directions1] PASSEDGlobal seed for "test/test_lattice_lindep.py:test_fcc_directions_linearly_dependent" was: 758
test_lattice_lindep.py::test_fcc_directions_ok Cell([[2.5526554800834367, 0.0, 0.0], [2.5526554800834362, 2.5526554800834367, 0.0], [0.0, 0.0, 3.61]])
PASSEDGlobal seed for "test/test_lattice_lindep.py:test_fcc_directions_ok" was: 915
test_lattice_lindep.py::test_hcp_miller_lienarly_dependent PASSEDGlobal seed for "test/test_lattice_lindep.py:test_hcp_miller_lienarly_dependent" was: 6935
test_lattice_lindep.py::test_hcp_cell_linearly_dependent PASSEDGlobal seed for "test/test_lattice_lindep.py:test_hcp_cell_linearly_dependent" was: 5923
test_lattice_lindep.py::test_hcp Cell([[5.559883092296095, 0.0, 0.0], [2.7799415461480477, 4.815, 0.0], [0.0, 0.0, 5.21304]])
PASSEDGlobal seed for "test/test_lattice_lindep.py:test_hcp" was: 95
test_linesearch_maxstep.py::test_linesearch[BFGS-BFGS] PASSEDGlobal seed for "test/test_linesearch_maxstep.py:test_linesearch" was: 5832
test_linesearch_maxstep.py::test_linesearch[BFGSLineSearch-BFGSLineSearch] PASSEDGlobal seed for "test/test_linesearch_maxstep.py:test_linesearch" was: 5832
test_linesearch_maxstep.py::test_linesearch[PreconLBFGS-PreconLBFGS_Armijo] PASSEDGlobal seed for "test/test_linesearch_maxstep.py:test_linesearch" was: 5832
test_linesearch_maxstep.py::test_linesearch[PreconLBFGS-PreconLBFGS_Wolff] PASSEDGlobal seed for "test/test_linesearch_maxstep.py:test_linesearch" was: 5832
test_lock.py::test_cannot_acquire_lock_twice PASSEDGlobal seed for "test/test_lock.py:test_cannot_acquire_lock_twice" was: 4919
test_lock.py::test_lock_close_file_descriptor PASSEDGlobal seed for "test/test_lock.py:test_lock_close_file_descriptor" was: 9670
test_loggingcalc.py::test_loggingcalc SKIPPED (could not import 'mat...)
test_makebandpath.py::test_makebandpath BandPath(path='GXL', cell=[3x3], special_points={GKLUWX}, kpts=[14x3])
BandPath(path='GL', cell=[3x3], special_points={GKLUWX}, kpts=[50x3])
BandPath(path='GKpt0Kpt1', cell=[3x3], special_points={GKpt0Kpt1}, kpts=[50x3])
PASSEDGlobal seed for "test/test_makebandpath.py:test_makebandpath" was: 5888
test_matplotlib_plot.py::test_matplotlib_plot_info_occupancies SKIPPED
test_matplotlib_plot.py::test_matplotlib_plot SKIPPED (could not imp...)
test_matplotlib_plot.py::TestPlotManager::test_plot_manager_error SKIPPED
test_matplotlib_plot.py::TestPlotManager::test_plot_manager_no_file SKIPPED
test_matplotlib_plot.py::TestPlotManager::test_plot_manager_axis_file SKIPPED
test_minimum_image_convention.py::test_minimum_image_convention[2] PASSEDGlobal seed for "test/test_minimum_image_convention.py:test_minimum_image_convention" was: 8263
test_minimum_image_convention.py::test_minimum_image_convention[3] PASSEDGlobal seed for "test/test_minimum_image_convention.py:test_minimum_image_convention" was: 8263
test_minimum_image_convention.py::test_numpy_array PASSEDGlobal seed for "test/test_minimum_image_convention.py:test_numpy_array" was: 7444
test_mixingcalc.py::test_mixingcalc PASSEDGlobal seed for "test/test_mixingcalc.py:test_mixingcalc" was: 2528
test_mpi.py::test_mpi_unused_on_import PASSEDGlobal seed for "test/test_mpi.py:test_mpi_unused_on_import" was: 9780
test_noncollinear.py::test_noncollinear PASSEDGlobal seed for "test/test_noncollinear.py:test_noncollinear" was: 8972
test_nwchem_writer.py::test_echo PASSEDGlobal seed for "test/test_nwchem_writer.py:test_echo" was: 11437
test_nwchem_writer.py::test_params PASSEDGlobal seed for "test/test_nwchem_writer.py:test_params" was: 6798
test_parsemath.py::test_parsemath PASSEDGlobal seed for "test/test_parsemath.py:test_parsemath" was: 5621
test_pathlib_support.py::test_pathlib_support PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_pathlib_support0
Global seed for "test/test_pathlib_support.py:test_pathlib_support" was: 1353
test_phasediagram.py::test_phasediagram Species: Cu, Au
References: 5
0    Cu             0.000
1    Au             0.000
2    CuAu2         -0.200
3    CuAu          -0.500
4    Cu2Au         -0.700
Simplices: 3
reference    coefficient      energy
------------------------------------
Cu2Au                  1      -0.700
Cu                     1       0.000
------------------------------------
Total energy:                 -0.700
------------------------------------
PASSEDGlobal seed for "test/test_phasediagram.py:test_phasediagram" was: 1018
test_potential_energies.py::test_potential_energies PASSEDGlobal seed for "test/test_potential_energies.py:test_potential_energies" was: 8945
test_pourbaix.py::test_pourbaix [('HZnO2-(aq)', -4.801273583873681), ('ZnO2--(aq)', -4.045437252886342), ('ZnOH+(aq)', -3.5207315956891634), ('ZnO(aq)', -2.923607884977995), ('H2O(aq)', -2.45831105012463), ('Zn++(aq)', -1.5264164573008816), ('H+(aq)', 0.0)]
0    HZnO2-(aq)    -5.158
1    ZnO2--(aq)    -4.403
2    ZnOH+(aq)     -3.878
3    ZnO(aq)       -3.281
4    H2O(aq)       -2.458
5    Zn++(aq)      -1.884
6    H+(aq)        -0.417
7    Zn             0.000
8    ZnO           -3.323
9    ZnO2(aq)      -3.278
10   e-             1.000
reference    coefficient      energy
------------------------------------
H2O(aq)                1      -2.458
H+(aq)                -2      -0.417
Zn                     1       0.000
e-                    -2       1.000
------------------------------------
Total energy:                 -3.625
------------------------------------
[[0 0 0 0 0 0 0 0 0 0 0]
 [2 2 4 4 5 3 3 6 6 6 6]
 [1 1 1 1 1 1 1 1 1 1 1]] ['Zn', 'ZnO2(aq)', 'Zn++(aq)', 'HZnO2-(aq)', 'ZnOH+(aq)', 'ZnO', 'ZnO2--(aq)'] [(-2.0, 11.0, 'Zn'), (2.0, 11.0, 'ZnO$_{2}$(aq)'), (0.0, 6.5, 'Zn$^{++}$(aq)'), (0.0, 11.5, 'HZnO$_{2}$$^{-}$(aq)'), (0.0, 8.5, 'ZnOH$^{+}$(aq)'), (0.0, 10.0, 'ZnO'), (0.0, 14.5, 'ZnO$_{2}$$^{--}$(aq)')]
PASSEDGlobal seed for "test/test_pourbaix.py:test_pourbaix" was: 3050
test_properties.py::test_properties PASSEDGlobal seed for "test/test_properties.py:test_properties" was: 125
test_pubchem.py::test_pubchem PASSEDGlobal seed for "test/test_pubchem.py:test_pubchem" was: 8276
test_quaternions.py::test_quaternions_rotations PASSEDGlobal seed for "test/test_quaternions.py:test_quaternions_rotations" was: 796
test_quaternions.py::test_quaternions_gimbal PASSEDGlobal seed for "test/test_quaternions.py:test_quaternions_gimbal" was: 7620
test_quaternions.py::test_quaternions_overload PASSEDGlobal seed for "test/test_quaternions.py:test_quaternions_overload" was: 10082
test_quaternions.py::test_quaternions_euler PASSEDGlobal seed for "test/test_quaternions.py:test_quaternions_euler" was: 11397
test_quaternions.py::test_quaternions_rotm PASSEDGlobal seed for "test/test_quaternions.py:test_quaternions_rotm" was: 7606
test_quaternions.py::test_quaternions_axang PASSEDGlobal seed for "test/test_quaternions.py:test_quaternions_axang" was: 5259
test_root_surf.py::test_root_surf PASSEDGlobal seed for "test/test_root_surf.py:test_root_surf" was: 9892
test_s22.py::test_s22 <s22-collection, 22 systems: Ammonia_dimer, Water_dimer, ...>
Atoms(symbols='NH3NH3', pbc=False)
Atoms(symbols='OH2OH2', pbc=False)
Atoms(symbols='CO2H2CO2H2', pbc=False)
Atoms(symbols='CONH3CONH3', pbc=False)
Atoms(symbols='OCNC3NOH4OCNC3NOH4', pbc=False)
Atoms(symbols='ONC5H5NC5H4NH2', pbc=False)
Atoms(symbols='NC3NCNCN2H5NC3NC2O2H6', pbc=False)
Atoms(symbols='CH4CH4', pbc=False)
Atoms(symbols='C2H4C2H4', pbc=False)
Atoms(symbols='C6H6CH4', pbc=False)
Atoms(symbols='C6H6C6H6', pbc=False)
Atoms(symbols='C2NC2NH4C2NC2NH4', pbc=False)
Atoms(symbols='NCHCHCONHCOHNCHCHCONHCOH', pbc=False)
Atoms(symbols='C6H7C2HC2HCNC2HCH3', pbc=False)
Atoms(symbols='NCHNC2NH2NCHNCHNCHC2H3CONHCOH', pbc=False)
Atoms(symbols='C2H4C2H2', pbc=False)
Atoms(symbols='C6H6OH2', pbc=False)
Atoms(symbols='C6H6NH3', pbc=False)
Atoms(symbols='C6H6NCH', pbc=False)
Atoms(symbols='C6H6C6H6', pbc=False)
Atoms(symbols='C6H7NC8H6', pbc=False)
Atoms(symbols='COHC5H5OCHC5H5', pbc=False)
PASSEDGlobal seed for "test/test_s22.py:test_s22" was: 9589
test_singlepoint_dft_calc.py::test_singlepoint_dft_calc PASSEDGlobal seed for "test/test_singlepoint_dft_calc.py:test_singlepoint_dft_calc" was: 2234
test_singlepointcalc.py::test_singlepointcalc PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_singlepointcalc0
Global seed for "test/test_singlepointcalc.py:test_singlepointcalc" was: 4407
test_springcalc.py::test_springcalc              eps         max(abs(df))
  0.100000000000       0.000000000000
  0.010000000000       0.000000000000
  0.001000000000       0.000000000000
  0.000100000000       0.000000000000
  0.000010000000       0.000000000000
  0.000001000000       0.000000000000
  0.000000100000       0.000000000000
  0.000000010000       0.000000000000
PASSEDGlobal seed for "test/test_springcalc.py:test_springcalc" was: 7040
test_stm.py::test_stm PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_stm0
Global seed for "test/test_stm.py:test_stm" was: 9696
test_stress.py::test_stress_voigt_shape PASSEDGlobal seed for "test/test_stress.py:test_stress_voigt_shape" was: 797
test_stress.py::test_stress Analytical stress:
 [-0.77895227  1.2288922  -1.22307094 -1.37861825  5.74494294 -0.2421896 ]
Numerical stress:
 [-0.77895229  1.22889219 -1.22307096 -1.37861826  5.74494297 -0.2421896 ]
Percent error in stress:
 [ 1.76859923e-06 -9.49590928e-07  1.38792943e-06  5.22451747e-07
  5.11184793e-07  3.71698638e-08]
      Step     Time          Energy         fmax
BFGS:    0 09:18:36      -45.377826        5.7316
BFGS:    1 09:18:36      -46.073452        6.7543
BFGS:    2 09:18:36      -46.960385        8.7206
BFGS:    3 09:18:36      -46.603274       15.5421
BFGS:    4 09:18:36      -47.077003       11.0048
BFGS:    5 09:18:36      -44.157756       26.1211
BFGS:    6 09:18:36      -46.921895       13.3198
BFGS:    7 09:18:36      -29.002125      176.4821
BFGS:    8 09:18:36      -45.018653       33.5744
BFGS:    9 09:18:36      -28.246845      186.3859
BFGS:   10 09:18:36      -34.780827      109.1039
BFGS:   11 09:18:36      -39.216154       57.6896
BFGS:   12 09:18:36      -30.621670      177.7396
BFGS:   13 09:18:36       -2.786662      342.8842
BFGS:   14 09:18:36      -34.531319       57.2142
BFGS:   15 09:18:36      -38.188546       48.4382
BFGS:   16 09:18:36      -38.121936       27.0514
BFGS:   17 09:18:36      -40.400927       17.9908
BFGS:   18 09:18:36      -41.115306       18.9874
BFGS:   19 09:18:36      -42.419418       15.3635
BFGS:   20 09:18:36      -44.133243       29.7971
BFGS:   21 09:18:36      -45.416943       18.9142
BFGS:   22 09:18:36      -45.736654       18.9709
BFGS:   23 09:18:36      -46.143747       11.0364
BFGS:   24 09:18:36      -46.534944       16.9248
BFGS:   25 09:18:36      -47.102529        8.0732
BFGS:   26 09:18:36      -47.326454        5.4449
BFGS:   27 09:18:36      -47.459799        4.6426
BFGS:   28 09:18:36      -47.537479        3.4686
BFGS:   29 09:18:36      -47.575524        1.5592
BFGS:   30 09:18:36      -47.602932        1.4128
BFGS:   31 09:18:36      -47.613430        1.4715
BFGS:   32 09:18:36      -47.619902        0.9862
BFGS:   33 09:18:36      -47.624158        0.5480
BFGS:   34 09:18:36      -47.625399        0.4083
BFGS:   35 09:18:36      -47.626326        0.3290
BFGS:   36 09:18:36      -47.627144        0.1781
BFGS:   37 09:18:36      -47.627287        0.1138
BFGS:   38 09:18:36      -47.627370        0.0874
BFGS:   39 09:18:37      -47.627395        0.0601
BFGS:   40 09:18:37      -47.627408        0.0260
BFGS:   41 09:18:37      -47.627413        0.0209
BFGS:   42 09:18:37      -47.627418        0.0249
BFGS:   43 09:18:37      -47.627422        0.0195
BFGS:   44 09:18:37      -47.627423        0.0086
BFGS:   45 09:18:37      -47.627423        0.0029
BFGS:   46 09:18:37      -47.627423        0.0020
BFGS:   47 09:18:37      -47.627423        0.0012
BFGS:   48 09:18:37      -47.627423        0.0005
Minimized Niggli tensor:
 [[ 1.19564513  1.19564424  1.79346742]
 [ 1.19564424  4.78257703  3.58693722]
 [ 1.79346742  3.58693722 10.76080804]]
Theoretical Niggli tensor:
 [[ 1.18847708  1.18847708  1.78271562]
 [ 1.18847708  4.75390831  3.56543124]
 [ 1.78271562  3.56543124 10.69629371]]
Percent error in Niggli tensor:
 [[0.60312938 0.60305441 0.60311346]
 [0.60305441 0.60305574 0.6031805 ]
 [0.60311346 0.6031805  0.60314661]]
PASSEDGlobal seed for "test/test_stress.py:test_stress" was: 3493
test_structure_comparator.py::test_compare PASSEDGlobal seed for "test/test_structure_comparator.py:test_compare" was: 1780
test_structure_comparator.py::test_fcc_bcc PASSEDGlobal seed for "test/test_structure_comparator.py:test_fcc_bcc" was: 195
test_structure_comparator.py::test_single_impurity PASSEDGlobal seed for "test/test_structure_comparator.py:test_single_impurity" was: 7742
test_structure_comparator.py::test_translations PASSEDGlobal seed for "test/test_structure_comparator.py:test_translations" was: 11055
test_structure_comparator.py::test_rot_60_deg PASSEDGlobal seed for "test/test_structure_comparator.py:test_rot_60_deg" was: 10532
test_structure_comparator.py::test_rot_120_deg PASSEDGlobal seed for "test/test_structure_comparator.py:test_rot_120_deg" was: 8699
test_structure_comparator.py::test_rotations_to_standard PASSEDGlobal seed for "test/test_structure_comparator.py:test_rotations_to_standard" was: 27
test_structure_comparator.py::test_point_inversion PASSEDGlobal seed for "test/test_structure_comparator.py:test_point_inversion" was: 6215
test_structure_comparator.py::test_mirror_plane PASSEDGlobal seed for "test/test_structure_comparator.py:test_mirror_plane" was: 7643
test_structure_comparator.py::test_hcp_symmetry_ops PASSEDGlobal seed for "test/test_structure_comparator.py:test_hcp_symmetry_ops" was: 165
test_structure_comparator.py::test_fcc_symmetry_ops PASSEDGlobal seed for "test/test_structure_comparator.py:test_fcc_symmetry_ops" was: 11711
test_structure_comparator.py::test_bcc_symmetry_ops PASSEDGlobal seed for "test/test_structure_comparator.py:test_bcc_symmetry_ops" was: 2358
test_structure_comparator.py::test_bcc_translation PASSEDGlobal seed for "test/test_structure_comparator.py:test_bcc_translation" was: 819
test_structure_comparator.py::test_one_atom_out_of_pos PASSEDGlobal seed for "test/test_structure_comparator.py:test_one_atom_out_of_pos" was: 471
test_structure_comparator.py::test_reduce_to_primitive PASSEDGlobal seed for "test/test_structure_comparator.py:test_reduce_to_primitive" was: 3537
test_structure_comparator.py::test_order_of_candidates PASSEDGlobal seed for "test/test_structure_comparator.py:test_order_of_candidates" was: 10518
test_structure_comparator.py::test_original_paper_structures PASSEDGlobal seed for "test/test_structure_comparator.py:test_original_paper_structures" was: 12006
test_structure_comparator.py::test_symmetrical_one_element_out PASSEDGlobal seed for "test/test_structure_comparator.py:test_symmetrical_one_element_out" was: 3808
test_structure_comparator.py::test_one_vs_many PASSEDGlobal seed for "test/test_structure_comparator.py:test_one_vs_many" was: 5457
test_structure_comparator.py::test_supercell_w_periodic_atom_removed PASSEDGlobal seed for "test/test_structure_comparator.py:test_supercell_w_periodic_atom_removed" was: 12145
test_symbols.py::test_symbols_indexing C2OH6
Atoms(symbols='XCPu2H2Au2H', pbc=False)
[ 0  6 94 94  1  1 79 79  1]
PASSEDGlobal seed for "test/test_symbols.py:test_symbols_indexing" was: 9224
test_symbols.py::test_symbols_vs_get_chemical_symbols PASSEDGlobal seed for "test/test_symbols.py:test_symbols_vs_get_chemical_symbols" was: 8797
test_symbols.py::test_str_roundtrip PASSEDGlobal seed for "test/test_symbols.py:test_str_roundtrip" was: 8118
test_symbols.py::test_manipulation_with_string Au2Ag
PASSEDGlobal seed for "test/test_symbols.py:test_manipulation_with_string" was: 758
test_symbols.py::test_search PASSEDGlobal seed for "test/test_symbols.py:test_search" was: 4298
test_symbols.py::test_search_two PASSEDGlobal seed for "test/test_symbols.py:test_search_two" was: 714
test_symbols.py::test_species PASSEDGlobal seed for "test/test_symbols.py:test_species" was: 4355
test_symbols.py::test_indices PASSEDGlobal seed for "test/test_symbols.py:test_indices" was: 4276
test_symbols.py::test_symbols_to_symbols PASSEDGlobal seed for "test/test_symbols.py:test_symbols_to_symbols" was: 5203
test_symbols.py::test_symbols_to_atoms PASSEDGlobal seed for "test/test_symbols.py:test_symbols_to_atoms" was: 4257
test_symbols.py::test_symbols_to_formula PASSEDGlobal seed for "test/test_symbols.py:test_symbols_to_formula" was: 1307
test_thermochemistry.py::test_ideal_gas_thermo                 Step[ FC]     Time          Energy          fmax
*Force-consistent energies used in optimization.
BFGSLineSearch:    0[  0] 09:18:40        0.440344*       3.2518
BFGSLineSearch:    1[  2] 09:18:40        0.265703*       0.4702
BFGSLineSearch:    2[  3] 09:18:40        0.262932*       0.1103
BFGSLineSearch:    3[  4] 09:18:40        0.262777*       0.0027
Enthalpy components at T = 298.15 K:
===============================
E_pot                  0.263 eV
E_ZPE                  0.076 eV
Cv_trans (0->T)        0.039 eV
Cv_rot (0->T)          0.026 eV
Cv_vib (0->T)          0.000 eV
(C_v -> C_p)           0.026 eV
-------------------------------
H                      0.429 eV
===============================
Entropy components at T = 298.15 K and P = 202650.0 Pa:
=================================================
                           S               T*S
S_trans (1 bar)    0.0015590 eV/K        0.465 eV
S_rot              0.0004101 eV/K        0.122 eV
S_elec             0.0000000 eV/K        0.000 eV
S_vib              0.0000016 eV/K        0.000 eV
S (1 bar -> P)    -0.0000609 eV/K       -0.018 eV
-------------------------------------------------
S                  0.0019098 eV/K        0.569 eV
=================================================
Free energy components at T = 298.15 K and P = 202650.0 Pa:
=======================
    H          0.429 eV
 -T*S         -0.569 eV
-----------------------
    G         -0.140 eV
=======================
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ideal_gas_thermo0
Global seed for "test/test_thermochemistry.py:test_ideal_gas_thermo" was: 5059
test_thermochemistry.py::test_harmonic_thermo                 Step[ FC]     Time          Energy          fmax
*Force-consistent energies used in optimization.
BFGSLineSearch:    0[  0] 09:18:40        4.347608*       2.8794
BFGSLineSearch:    1[  1] 09:18:40        4.127714*       0.4392
BFGSLineSearch:    2[  2] 09:18:40        4.120759*       0.0823
BFGSLineSearch:    3[  3] 09:18:40        4.120517*       0.0035
---------------------
  #    meV     cm^-1
---------------------
  0    9.6      77.4
  1    9.6      77.4
  2   17.4     140.5
---------------------
Zero-point energy: 0.018 eV
Internal energy components at T = 298.15 K:
===============================
E_pot                  4.121 eV
E_ZPE                  0.018 eV
Cv_harm (0->T)         0.060 eV
-------------------------------
U                      4.199 eV
===============================
Entropy components at T = 298.15 K:
=================================================
                           S               T*S
S_harm             0.0004644 eV/K        0.138 eV
-------------------------------------------------
S                  0.0004644 eV/K        0.138 eV
=================================================
Free energy components at T = 298.15 K:
=======================
    U          4.199 eV
 -T*S         -0.138 eV
-----------------------
    F          4.061 eV
=======================
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_harmonic_thermo0
Global seed for "test/test_thermochemistry.py:test_harmonic_thermo" was: 807
test_thermochemistry.py::test_crystal_thermo SKIPPED (could not impo...)
test_thermochemistry.py::test_hindered_thermo Internal energy components at T = 298.15 K:
===============================
E_pot                  0.000 eV
E_trans                0.049 eV
E_rot                  0.018 eV
E_vib                  0.076 eV
E_ZPE                  1.969 eV
-------------------------------
U                      2.112 eV
===============================
Entropy components at T = 298.15 K:
=================================================
                           S               T*S
S_trans            0.0005074 eV/K        0.151 eV
S_rot              0.0002287 eV/K        0.068 eV
S_vib              0.0005004 eV/K        0.149 eV
S_con              0.0005044 eV/K        0.150 eV
-------------------------------------------------
S                  0.0017409 eV/K        0.519 eV
=================================================
Free energy components at T = 298.15 K:
=======================
    U          2.112 eV
 -T*S         -0.519 eV
-----------------------
    F          1.593 eV
=======================
PASSEDGlobal seed for "test/test_thermochemistry.py:test_hindered_thermo" was: 12257
test_things.py::test_things 27.211386024367243 0.5291772105638411 0.010364269574711572 0.04336410390059322 0.02585199101165164 0.09822694788464063 10.180505671156725
PASSEDGlobal seed for "test/test_things.py:test_things" was: 738
test_timing.py::test_timer 0
1
2
3
4
Timing:     incl.     excl.
----------------------------------
run:        0.005     0.000   0.4% |
 yield:     0.005     0.005  99.4% |---------------------------------------|
Other:      0.000     0.000   0.1% |
----------------------------------
Total:                0.005 100.0%
PASSEDGlobal seed for "test/test_timing.py:test_timer" was: 1307
test_util.py::test_deprecated_decorator PASSEDGlobal seed for "test/test_util.py:test_deprecated_decorator" was: 10699
test_util.py::test_deprecated_devnull PASSEDGlobal seed for "test/test_util.py:test_deprecated_devnull" was: 1123
test_util.py::test_tokenize_version_lessthan[1-2] PASSEDGlobal seed for "test/test_util.py:test_tokenize_version_lessthan" was: 4306
test_util.py::test_tokenize_version_lessthan[a-b] PASSEDGlobal seed for "test/test_util.py:test_tokenize_version_lessthan" was: 4306
test_util.py::test_tokenize_version_lessthan[9.0-10.0] PASSEDGlobal seed for "test/test_util.py:test_tokenize_version_lessthan" was: 4306
test_util.py::test_tokenize_version_lessthan[3.8.0-3.8.1] PASSEDGlobal seed for "test/test_util.py:test_tokenize_version_lessthan" was: 4306
test_util.py::test_tokenize_version_lessthan[3a-3b] PASSEDGlobal seed for "test/test_util.py:test_tokenize_version_lessthan" was: 4306
test_util.py::test_tokenize_version_lessthan[3-3a] PASSEDGlobal seed for "test/test_util.py:test_tokenize_version_lessthan" was: 4306
test_util.py::test_tokenize_version_equal PASSEDGlobal seed for "test/test_util.py:test_tokenize_version_equal" was: 10724
test_wannier.py::test_gram_schmidt PASSEDGlobal seed for "test/test_wannier.py:test_gram_schmidt" was: 4026
test_wannier.py::test_lowdin PASSEDGlobal seed for "test/test_wannier.py:test_lowdin" was: 8596
test_wannier.py::test_random_orthogonal_matrix PASSEDGlobal seed for "test/test_wannier.py:test_random_orthogonal_matrix" was: 7321
test_wannier.py::test_neighbor_k_search PASSEDGlobal seed for "test/test_wannier.py:test_neighbor_k_search" was: 8991
test_wannier.py::test_calculate_weights[lat0] PASSEDGlobal seed for "test/test_wannier.py:test_calculate_weights" was: 10842
test_wannier.py::test_calculate_weights[lat1] PASSEDGlobal seed for "test/test_wannier.py:test_calculate_weights" was: 10842
test_wannier.py::test_calculate_weights[lat2] PASSEDGlobal seed for "test/test_wannier.py:test_calculate_weights" was: 10842
test_wannier.py::test_calculate_weights[lat3] PASSEDGlobal seed for "test/test_wannier.py:test_calculate_weights" was: 10842
test_wannier.py::test_calculate_weights[lat4] PASSEDGlobal seed for "test/test_wannier.py:test_calculate_weights" was: 10842
test_wannier.py::test_calculate_weights[lat5] PASSEDGlobal seed for "test/test_wannier.py:test_calculate_weights" was: 10842
test_wannier.py::test_calculate_weights[lat6] PASSEDGlobal seed for "test/test_wannier.py:test_calculate_weights" was: 10842
test_wannier.py::test_calculate_weights[lat7] PASSEDGlobal seed for "test/test_wannier.py:test_calculate_weights" was: 10842
test_wannier.py::test_calculate_weights[lat8] PASSEDGlobal seed for "test/test_wannier.py:test_calculate_weights" was: 10842
test_wannier.py::test_calculate_weights[lat9] PASSEDGlobal seed for "test/test_wannier.py:test_calculate_weights" was: 10842
test_wannier.py::test_calculate_weights[lat10] PASSEDGlobal seed for "test/test_wannier.py:test_calculate_weights" was: 10842
test_wannier.py::test_calculate_weights[lat11] PASSEDGlobal seed for "test/test_wannier.py:test_calculate_weights" was: 10842
test_wannier.py::test_calculate_weights[lat12] PASSEDGlobal seed for "test/test_wannier.py:test_calculate_weights" was: 10842
test_wannier.py::test_calculate_weights[lat13] PASSEDGlobal seed for "test/test_wannier.py:test_calculate_weights" was: 10842
test_wannier.py::test_calculate_weights[lat14] PASSEDGlobal seed for "test/test_wannier.py:test_calculate_weights" was: 10842
test_wannier.py::test_calculate_weights[lat15] PASSEDGlobal seed for "test/test_wannier.py:test_calculate_weights" was: 10842
test_wannier.py::test_calculate_weights[lat16] PASSEDGlobal seed for "test/test_wannier.py:test_calculate_weights" was: 10842
test_wannier.py::test_calculate_weights[lat17] PASSEDGlobal seed for "test/test_wannier.py:test_calculate_weights" was: 10842
test_wannier.py::test_calculate_weights[lat18] PASSEDGlobal seed for "test/test_wannier.py:test_calculate_weights" was: 10842
test_wannier.py::test_calculate_weights[lat19] PASSEDGlobal seed for "test/test_wannier.py:test_calculate_weights" was: 10842
test_wannier.py::test_steepest_descent PASSEDGlobal seed for "test/test_wannier.py:test_steepest_descent" was: 1984
test_wannier.py::test_md_min PASSEDGlobal seed for "test/test_wannier.py:test_md_min" was: 3293
test_wannier.py::test_rotation_from_projection PASSEDGlobal seed for "test/test_wannier.py:test_rotation_from_projection" was: 11639
test_wannier.py::test_save SKIPPED (Not installed: gpaw)
test_wannier.py::test_get_radii[lat0] SKIPPED (Not installed: gpaw)
test_wannier.py::test_get_radii[lat1] SKIPPED (Not installed: gpaw)
test_wannier.py::test_get_radii[lat2] SKIPPED (Not installed: gpaw)
test_wannier.py::test_get_radii[lat3] SKIPPED (Not installed: gpaw)
test_wannier.py::test_get_radii[lat4] SKIPPED (Not installed: gpaw)
test_wannier.py::test_get_radii[lat5] SKIPPED (Not installed: gpaw)
test_wannier.py::test_get_radii[lat6] SKIPPED (Not installed: gpaw)
test_wannier.py::test_get_radii[lat7] SKIPPED (Not installed: gpaw)
test_wannier.py::test_get_radii[lat8] SKIPPED (Not installed: gpaw)
test_wannier.py::test_get_radii[lat9] SKIPPED (Not installed: gpaw)
test_wannier.py::test_get_radii[lat10] SKIPPED (Not installed: gpaw)
test_wannier.py::test_get_radii[lat11] SKIPPED (Not installed: gpaw)
test_wannier.py::test_get_radii[lat12] SKIPPED (Not installed: gpaw)
test_wannier.py::test_get_radii[lat13] SKIPPED (Not installed: gpaw)
test_wannier.py::test_get_radii[lat14] SKIPPED (Not installed: gpaw)
test_wannier.py::test_get_radii[lat15] SKIPPED (Not installed: gpaw)
test_wannier.py::test_get_radii[lat16] SKIPPED (Not installed: gpaw)
test_wannier.py::test_get_radii[lat17] SKIPPED (Not installed: gpaw)
test_wannier.py::test_get_radii[lat18] SKIPPED (Not installed: gpaw)
test_wannier.py::test_get_radii[lat19] SKIPPED (Not installed: gpaw)
test_wannier.py::test_get_functional_value SKIPPED (Not installed: gpaw)
test_wannier.py::test_get_centers[gpaw] SKIPPED (Not installed: gpaw)Global seed for "test/test_wannier.py:test_get_centers" was: 860
test_wannier.py::test_write_cube SKIPPED (Not installed: gpaw)
test_wannier.py::test_localize SKIPPED (Not installed: gpaw)
test_wannier.py::test_get_spectral_weight_bloch SKIPPED (Not install...)
test_wannier.py::test_get_spectral_weight_random SKIPPED (Not instal...)
test_wannier.py::test_get_pdos SKIPPED (Not installed: gpaw)
test_wannier.py::test_translate SKIPPED (Not installed: gpaw)
test_wannier.py::test_translate_to_cell SKIPPED (Not installed: gpaw)
test_wannier.py::test_translate_all_to_cell SKIPPED (Not installed: ...)
test_wannier.py::test_distances SKIPPED (Not installed: gpaw)
test_wannier.py::test_get_hopping_bloch SKIPPED (Not installed: gpaw)
test_wannier.py::test_get_hopping_random SKIPPED (Not installed: gpaw)
test_wannier.py::test_get_hamiltonian_bloch SKIPPED (Not installed: ...)
test_wannier.py::test_get_hamiltonian_random SKIPPED (Not installed:...)
test_wannier.py::test_get_hamiltonian_kpoint SKIPPED (Not installed:...)
test_wannier.py::test_get_function SKIPPED (Not installed: gpaw)
test_wannier.py::test_get_gradients SKIPPED (Not installed: gpaw)
test_x3d.py::test_x3d SKIPPED (could not import 'IPython': No module...)Global seed for "test/test_x3d.py:test_x3d" was: 7462
test_xrdebye.py::test_get PASSEDGlobal seed for "test/test_xrdebye.py:test_get" was: 4642
test_xrdebye.py::test_xrd PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_xrd0
Global seed for "test/test_xrdebye.py:test_xrd" was: 2572
test_xrdebye.py::test_saxs_and_files SKIPPED (could not import 'matp...)
test_xwopen.py::test_xwopen PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_xwopen0
Global seed for "test/test_xwopen.py:test_xwopen" was: 9448
test_xwopen.py::test_xwopen_locked PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_xwopen_locked0
Global seed for "test/test_xwopen.py:test_xwopen_locked" was: 9000
test_xwopen.py::test_xwopen_fail PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_xwopen_fail0
Global seed for "test/test_xwopen.py:test_xwopen_fail" was: 2481
test_zmatrix.py::test_zmatrix_diborane[b;h 1 1.31;h 1 1.31 2 97;b 2 1.31 1 83 3 0;h 1 1.19 4 120 2 90;h 1 1.19 4 120 3 90;h 4 1.19 1 120 2 90;h 4 1.19 1 120 3 90-None] PASSEDGlobal seed for "test/test_zmatrix.py:test_zmatrix_diborane" was: 164
test_zmatrix.py::test_zmatrix_diborane[zmat1-defs1] PASSEDGlobal seed for "test/test_zmatrix.py:test_zmatrix_diborane" was: 164
test_zmatrix.py::test_zmatrix_diborane[B\nH 1 rBH1\nH 1 rBH1 2 aHBH1\nB 1 rBB 2 aBBH 3 0\nH 1 rBH2 4 aHBH2 2 dHBBH\nH 1 rBH2 4 aHBH2 3 dHBBH\nH 4 rBH2 1 aHBH2 2 dHBBH\nH 4 rBH2 1 aHBH2 3 dHBBH-rBH1 1.31\nrBH2 1.19\nrBB 1.736\naHBH1 97\naHBH2 120\naBBH 48.5\ndHBBH 90] PASSEDGlobal seed for "test/test_zmatrix.py:test_zmatrix_diborane" was: 164
test_zmatrix.py::test_zmatrix_diborane[zmat3-defs3] PASSEDGlobal seed for "test/test_zmatrix.py:test_zmatrix_diborane" was: 164
atoms/test_atom.py::test_atom Li
H
Atoms(symbols='H', pbc=False)
PASSEDGlobal seed for "test/atoms/test_atom.py:test_atom" was: 4667
atoms/test_atom.py::test_repr Atom('Si', [0.0, 0.0, 0.0], charge=7)
PASSEDGlobal seed for "test/atoms/test_atom.py:test_repr" was: 7900
atoms/test_atom_scaled_pos.py::test_abc_and_scaled_position PASSEDGlobal seed for "test/atoms/test_atom_scaled_pos.py:test_abc_and_scaled_position" was: 10498
atoms/test_atom_scaled_pos.py::test_set_scaled_position PASSEDGlobal seed for "test/atoms/test_atom_scaled_pos.py:test_set_scaled_position" was: 11416
atoms/test_atom_scaled_pos.py::test_set_abc PASSEDGlobal seed for "test/atoms/test_atom_scaled_pos.py:test_set_abc" was: 11600
atoms/test_atoms.py::test_atoms Atoms(symbols='', pbc=False)
Atoms(symbols='H2O', pbc=False)
PASSEDGlobal seed for "test/atoms/test_atoms.py:test_atoms" was: 11749
atoms/test_atoms.py::test_numbers_input PASSEDGlobal seed for "test/atoms/test_atoms.py:test_numbers_input" was: 7095
atoms/test_atoms.py::test_bad_array_shape PASSEDGlobal seed for "test/atoms/test_atoms.py:test_bad_array_shape" was: 8268
atoms/test_atoms.py::test_set_masses PASSEDGlobal seed for "test/atoms/test_atoms.py:test_set_masses" was: 3522
atoms/test_atoms.py::test_com[0] PASSEDGlobal seed for "test/atoms/test_atoms.py:test_com" was: 8774
atoms/test_atoms.py::test_com[10] PASSEDGlobal seed for "test/atoms/test_atoms.py:test_com" was: 8774
atoms/test_atoms_angle.py::test_atoms_angle PASSEDGlobal seed for "test/atoms/test_atoms_angle.py:test_atoms_angle" was: 10970
atoms/test_atoms_distance.py::test_atoms_distance PASSEDGlobal seed for "test/atoms/test_atoms_distance.py:test_atoms_distance" was: 5464
atoms/test_atoms_distance.py::test_antisymmetry PASSEDGlobal seed for "test/atoms/test_atoms_distance.py:test_antisymmetry" was: 574
atoms/test_atoms_formula.py::test_atoms_formula PASSEDGlobal seed for "test/atoms/test_atoms_formula.py:test_atoms_formula" was: 2970
atoms/test_atoms_get_duplicates.py::test_atoms_get_duplicates PASSEDGlobal seed for "test/atoms/test_atoms_get_duplicates.py:test_atoms_get_duplicates" was: 10981
atoms/test_atoms_get_positions.py::test_positions PASSEDGlobal seed for "test/atoms/test_atoms_get_positions.py:test_positions" was: 8985
atoms/test_atoms_get_positions.py::test_positions_wrapped PASSEDGlobal seed for "test/atoms/test_atoms_get_positions.py:test_positions_wrapped" was: 10078
atoms/test_atoms_get_positions.py::test_wrapped_positions PASSEDGlobal seed for "test/atoms/test_atoms_get_positions.py:test_wrapped_positions" was: 6818
atoms/test_atoms_getitem.py::test_atoms_getitem PASSEDGlobal seed for "test/atoms/test_atoms_getitem.py:test_atoms_getitem" was: 2269
atoms/test_atoms_info_copy.py::test_atoms_info_copy PASSEDGlobal seed for "test/atoms/test_atoms_info_copy.py:test_atoms_info_copy" was: 5671
atoms/test_atoms_instantiation.py::test_atoms PASSEDGlobal seed for "test/atoms/test_atoms_instantiation.py:test_atoms" was: 2122
atoms/test_atoms_instantiation.py::test_symbols PASSEDGlobal seed for "test/atoms/test_atoms_instantiation.py:test_symbols" was: 2912
atoms/test_atoms_instantiation.py::test_momenta PASSEDGlobal seed for "test/atoms/test_atoms_instantiation.py:test_momenta" was: 11193
atoms/test_atoms_instantiation.py::test_positions PASSEDGlobal seed for "test/atoms/test_atoms_instantiation.py:test_positions" was: 2502
atoms/test_build.py::test_build [[1. 1. 1.]] [[1. 1. 1.]]
[0. 0. 0. 0. 0. 1.]
29
[29 29]
[29 29  6]
[29 29  6]
['Cu', 'Cu', 'Cu', 'Cu', 'C', 'H']
['Cu', 'Cu', 'Cu', 'C', 'H']
['Cu', 'Cu', 'Cu']
PASSEDGlobal seed for "test/atoms/test_build.py:test_build" was: 5647
atoms/test_center.py::test_vacuum_one_direction PASSEDGlobal seed for "test/atoms/test_center.py:test_vacuum_one_direction" was: 9051
atoms/test_center.py::test_vacuum_all_directions PASSEDGlobal seed for "test/atoms/test_center.py:test_vacuum_all_directions" was: 2014
atoms/test_center.py::test_general_unit_cell PASSEDGlobal seed for "test/atoms/test_center.py:test_general_unit_cell" was: 3827
atoms/test_center.py::test_vacuum_one_direction_guc PASSEDGlobal seed for "test/atoms/test_center.py:test_vacuum_one_direction_guc" was: 4357
atoms/test_center.py::test_center_empty PASSEDGlobal seed for "test/atoms/test_center.py:test_center_empty" was: 10316
atoms/test_center.py::test_center_nocell PASSEDGlobal seed for "test/atoms/test_center.py:test_center_nocell" was: 8878
atoms/test_center_nonperiodic.py::test_center_nonperiodic Cell([0.0, 0.0, 0.0])
[[0. 0. 0.]]
Atoms(symbols='H', pbc=False, cell=[0.0, 2.0, 0.0])
[[0. 1. 0.]]
[[ 0. -1.  1.]]
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Cell([0.0, 2.0, 4.0])
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atoms/test_compare_atoms.py::test_compare_atoms PASSEDGlobal seed for "test/atoms/test_compare_atoms.py:test_compare_atoms" was: 7232
atoms/test_deprecated_get_set.py::test_set_calculator PASSEDGlobal seed for "test/atoms/test_deprecated_get_set.py:test_set_calculator" was: 9391
atoms/test_deprecated_get_set.py::test_get_calculator PASSEDGlobal seed for "test/atoms/test_deprecated_get_set.py:test_get_calculator" was: 11071
atoms/test_deprecated_get_set.py::test_del_calculator PASSEDGlobal seed for "test/atoms/test_deprecated_get_set.py:test_del_calculator" was: 3632
atoms/test_get_angles.py::test_get_angles PASSEDGlobal seed for "test/atoms/test_get_angles.py:test_get_angles" was: 10768
atoms/test_h2.py::test_h2 PASSEDGlobal seed for "test/atoms/test_h2.py:test_h2" was: 445
atoms/test_mic.py::test_mic PASSEDGlobal seed for "test/atoms/test_mic.py:test_mic" was: 6439
atoms/test_momenta_velocities.py::test_momenta_fixatoms PASSEDGlobal seed for "test/atoms/test_momenta_velocities.py:test_momenta_fixatoms" was: 2385
atoms/test_momenta_velocities.py::test_momenta_hookean PASSEDGlobal seed for "test/atoms/test_momenta_velocities.py:test_momenta_hookean" was: 11990
atoms/test_momenta_velocities.py::test_get_set_velocities PASSEDGlobal seed for "test/atoms/test_momenta_velocities.py:test_get_set_velocities" was: 1477
atoms/test_permute_axes.py::test_permute_axes PASSEDGlobal seed for "test/atoms/test_permute_axes.py:test_permute_axes" was: 7450
atoms/test_rotate.py::test_rotate 10z
0.0x,0.0y,10.0z
155x,43y,190z
155.0x,43.0y,-170.0z
55x,90y,190z
55.0x,90.0y,-170.0z
180x,-90y,45z
180.0x,-90.0y,45.0z
-180y
180.0x,-7.016709298534876e-15y,180.0z
40z,50x
42.39408604486465x,-29.49870423110366y,28.340774423333194z
PASSEDGlobal seed for "test/atoms/test_rotate.py:test_rotate" was: 10897
atoms/test_rotate_euler.py::test_rotate_euler PASSEDGlobal seed for "test/atoms/test_rotate_euler.py:test_rotate_euler" was: 8639
atoms/test_scaled_positions.py::test_scaled_positions PASSEDGlobal seed for "test/atoms/test_scaled_positions.py:test_scaled_positions" was: 1998
atoms/test_set_get_angle.py::test_set_get_angle PASSEDGlobal seed for "test/atoms/test_set_get_angle.py:test_set_get_angle" was: 1834
bandstructure/test_bandpath.py::test_cartesian_kpts PASSEDGlobal seed for "test/bandstructure/test_bandpath.py:test_cartesian_kpts" was: 1352
bandstructure/test_bandpath.py::test_interpolate_npoints PASSEDGlobal seed for "test/bandstructure/test_bandpath.py:test_interpolate_npoints" was: 9732
bandstructure/test_bandpath.py::test_interpolate_density PASSEDGlobal seed for "test/bandstructure/test_bandpath.py:test_interpolate_density" was: 10241
bandstructure/test_bandpath.py::test_zero_npoints PASSEDGlobal seed for "test/bandstructure/test_bandpath.py:test_zero_npoints" was: 4284
bandstructure/test_bandpath.py::test_custom_points BandPath(path='KK1,KpointKpoint1', cell=[3x3], special_points={KK1KpointKpoint1}, kpts=[42x3])
PASSEDGlobal seed for "test/bandstructure/test_bandpath.py:test_custom_points" was: 11260
bandstructure/test_bandpath.py::test_autolabel_kpoints PASSEDGlobal seed for "test/bandstructure/test_bandpath.py:test_autolabel_kpoints" was: 4764
bandstructure/test_bandpath.py::test_bad_kpointlist PASSEDGlobal seed for "test/bandstructure/test_bandpath.py:test_bad_kpointlist" was: 9424
bandstructure/test_bandstructure.py::test_bandstructure SKIPPED (cou...)
bandstructure/test_bandstructure.py::test_print_bs BandStructure(path=BandPath(path='GLB1,BZGX,QFP1Z,LP', cell=[3x3], special_points={BB1FGLL1PP1P2QXZ}, kpts=[33x3]), energies=[1x33x20 values], reference=0.0)
PASSEDGlobal seed for "test/bandstructure/test_bandstructure.py:test_print_bs" was: 2884
bandstructure/test_bandstructure.py::test_subtract_ref PASSEDGlobal seed for "test/bandstructure/test_bandstructure.py:test_subtract_ref" was: 687
bandstructure/test_bandstructure_json.py::test_bandstructure_json PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_bandstructure_json0
Global seed for "test/bandstructure/test_bandstructure_json.py:test_bandstructure_json" was: 4948
bandstructure/test_bandstructure_many.py::test_lattice_bandstructure[CUB] SKIPPED
bandstructure/test_bandstructure_many.py::test_lattice_bandstructure[FCC] SKIPPED
bandstructure/test_bandstructure_many.py::test_lattice_bandstructure[BCC] SKIPPED
bandstructure/test_bandstructure_many.py::test_lattice_bandstructure[TET] SKIPPED
bandstructure/test_bandstructure_many.py::test_lattice_bandstructure[BCT1] SKIPPED
bandstructure/test_bandstructure_many.py::test_lattice_bandstructure[BCT2] SKIPPED
bandstructure/test_bandstructure_many.py::test_lattice_bandstructure[ORC] SKIPPED
bandstructure/test_bandstructure_many.py::test_lattice_bandstructure[ORCF1] SKIPPED
bandstructure/test_bandstructure_many.py::test_lattice_bandstructure[ORCF2] SKIPPED
bandstructure/test_bandstructure_many.py::test_lattice_bandstructure[ORCF3] SKIPPED
bandstructure/test_bandstructure_many.py::test_lattice_bandstructure[ORCI] SKIPPED
bandstructure/test_bandstructure_many.py::test_lattice_bandstructure[ORCC] SKIPPED
bandstructure/test_bandstructure_many.py::test_lattice_bandstructure[HEX] SKIPPED
bandstructure/test_bandstructure_many.py::test_lattice_bandstructure[RHL1] SKIPPED
bandstructure/test_bandstructure_many.py::test_lattice_bandstructure[RHL2] SKIPPED
bandstructure/test_bandstructure_many.py::test_lattice_bandstructure[MCL] SKIPPED
bandstructure/test_bandstructure_many.py::test_lattice_bandstructure[MCLC1] SKIPPED
bandstructure/test_bandstructure_many.py::test_lattice_bandstructure[MCLC3] SKIPPED
bandstructure/test_bandstructure_many.py::test_lattice_bandstructure[MCLC5] SKIPPED
bandstructure/test_bandstructure_many.py::test_lattice_bandstructure[TRI1a] SKIPPED
bandstructure/test_bandstructure_many.py::test_lattice_bandstructure[TRI1b] SKIPPED
bandstructure/test_bandstructure_many.py::test_lattice_bandstructure[TRI2a] SKIPPED
bandstructure/test_bandstructure_many.py::test_lattice_bandstructure[TRI2b] SKIPPED
bandstructure/test_bandstructure_transform_mcl.py::test_bandstructure_transform_mcl [  3.   5.   4.  90. 110.  90.]
[ 5.  3.  4. 70. 90. 90.]
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_bandstructure_transform_m0
Global seed for "test/bandstructure/test_bandstructure_transform_mcl.py:test_bandstructure_transform_mcl" was: 10146
bandstructure/test_resolve_custom_kpoints.py::test_str PASSEDGlobal seed for "test/bandstructure/test_resolve_custom_kpoints.py:test_str" was: 2148
bandstructure/test_resolve_custom_kpoints.py::test_recognize_points_from_coords PASSEDGlobal seed for "test/bandstructure/test_resolve_custom_kpoints.py:test_recognize_points_from_coords" was: 5982
bandstructure/test_resolve_custom_kpoints.py::test_autolabel_points_from_coords[kptcoords0] PASSEDGlobal seed for "test/bandstructure/test_resolve_custom_kpoints.py:test_autolabel_points_from_coords" was: 7758
bandstructure/test_resolve_custom_kpoints.py::test_autolabel_points_from_coords[kptcoords1] PASSEDGlobal seed for "test/bandstructure/test_resolve_custom_kpoints.py:test_autolabel_points_from_coords" was: 7758
bandstructure/test_resolve_custom_kpoints.py::test_bad_shape PASSEDGlobal seed for "test/bandstructure/test_resolve_custom_kpoints.py:test_bad_shape" was: 10906
bravais/test_2d_cell_pbc.py::test_bravais_2d_cell_pbc [ 1.          1.00498756  0.         90.         90.         84.28940686]
OBL(a=1, b=1.00499, alpha=84.2894)
MCL(a=7, b=1, c=1.00499, alpha=84.2894)
OBL(a=1, b=1.00499, alpha=84.2894)
BandPath(path='GYHCEM1AXH1,MDZ,YD', cell=[3x3], special_points={ACDD1EGHH1H2MM1M2XYY1Z}, kpts=[99x3])
BandPath(path='GYHCH1XG', cell=[3x3], special_points={CGHH1XY}, kpts=[64x3])
PASSEDGlobal seed for "test/bravais/test_2d_cell_pbc.py:test_bravais_2d_cell_pbc" was: 1246
bravais/test_classification_engine.py::test_generate_niggli_table[FCC-1] Working on FCC...
Found 1 ops for FCC
                       [1 0 0 0 1 0 0 0 1]: 1
{'FCC': [(1, 0, 0, 0, 1, 0, 0, 0, 1)]}
FCC: 1
PASSEDGlobal seed for "test/bravais/test_classification_engine.py:test_generate_niggli_table" was: 2927
bravais/test_classification_engine.py::test_generate_niggli_table[BCC-1] Working on BCC...
Found 1 ops for BCC
                       [1 0 0 0 1 0 0 0 1]: 1
{'BCC': [(1, 0, 0, 0, 1, 0, 0, 0, 1)]}
BCC: 1
PASSEDGlobal seed for "test/bravais/test_classification_engine.py:test_generate_niggli_table" was: 2927
bravais/test_classification_engine.py::test_generate_niggli_table[CUB-1] Working on CUB...
Found 1 ops for CUB
                       [1 0 0 0 1 0 0 0 1]: 1
{'CUB': [(1, 0, 0, 0, 1, 0, 0, 0, 1)]}
CUB: 1
PASSEDGlobal seed for "test/bravais/test_classification_engine.py:test_generate_niggli_table" was: 2927
bravais/test_classification_engine.py::test_generate_niggli_table[TET-2] Working on TET...
Found 2 ops for TET
                       [0 1 0 0 0 1 1 0 0]: 30
                       [1 0 0 0 1 0 0 0 1]: 30
{'TET': [(0, 1, 0, 0, 0, 1, 1, 0, 0), (1, 0, 0, 0, 1, 0, 0, 0, 1)]}
TET: 2
PASSEDGlobal seed for "test/bravais/test_classification_engine.py:test_generate_niggli_table" was: 2927
bravais/test_classification_engine.py::test_generate_niggli_table[BCT-5] Working on BCT...
Found 5 ops for BCT
              [ 1  1  0  1  0  0  0  0 -1]: 27
                       [1 0 0 0 1 0 0 0 1]: 3
                       [0 1 0 0 0 1 1 0 0]: 4
              [ 0  1  0  1  0  0  1  1 -1]: 7
              [-1  0  1  0  1  0 -1  1  0]: 19
{'BCT': [(1, 1, 0, 1, 0, 0, 0, 0, -1),
         (1, 0, 0, 0, 1, 0, 0, 0, 1),
         (0, 1, 0, 0, 0, 1, 1, 0, 0),
         (0, 1, 0, 1, 0, 0, 1, 1, -1),
         (-1, 0, 1, 0, 1, 0, -1, 1, 0)]}
BCT: 5
PASSEDGlobal seed for "test/bravais/test_classification_engine.py:test_generate_niggli_table" was: 2927
bravais/test_classification_engine.py::test_generate_niggli_table[HEX-2] Working on HEX...
Found 2 ops for HEX
                       [0 1 0 0 0 1 1 0 0]: 30
                       [1 0 0 0 1 0 0 0 1]: 30
{'HEX': [(0, 1, 0, 0, 0, 1, 1, 0, 0), (1, 0, 0, 0, 1, 0, 0, 0, 1)]}
HEX: 2
PASSEDGlobal seed for "test/bravais/test_classification_engine.py:test_generate_niggli_table" was: 2927
bravais/test_classification_engine.py::test_generate_niggli_table[ORC-1] Working on ORC...
Found 1 ops for ORC
                       [1 0 0 0 1 0 0 0 1]: 435
{'ORC': [(1, 0, 0, 0, 1, 0, 0, 0, 1)]}
ORC: 1
PASSEDGlobal seed for "test/bravais/test_classification_engine.py:test_generate_niggli_table" was: 2927
bravais/test_classification_engine.py::test_generate_niggli_table[ORCC-5] Working on ORCC...
Found 5 ops for ORCC
                       [0 1 0 0 0 1 1 0 0]: 194
                       [1 0 0 0 1 0 0 0 1]: 226
              [ 0 -1  1  0 -1  0  1  0  0]: 690
              [-1  1  0 -1  0  0  0  0  1]: 455
              [ 1  0 -1  1  0  0  0 -1  0]: 235
{'ORCC': [(0, 1, 0, 0, 0, 1, 1, 0, 0),
          (1, 0, 0, 0, 1, 0, 0, 0, 1),
          (0, -1, 1, 0, -1, 0, 1, 0, 0),
          (-1, 1, 0, -1, 0, 0, 0, 0, 1),
          (1, 0, -1, 1, 0, 0, 0, -1, 0)]}
ORCC: 5
PASSEDGlobal seed for "test/bravais/test_classification_engine.py:test_generate_niggli_table" was: 2927
bravais/test_classification_engine.py::test_generate_niggli_table[ORCF-2] Working on ORCF...
Found 2 ops for ORCF
              [ 0 -1  0  0  1 -1  1  0  0]: 182
              [-1  0  0  1  0  1  1  1  0]: 253
{'ORCF': [(0, -1, 0, 0, 1, -1, 1, 0, 0), (-1, 0, 0, 1, 0, 1, 1, 1, 0)]}
ORCF: 2
PASSEDGlobal seed for "test/bravais/test_classification_engine.py:test_generate_niggli_table" was: 2927
bravais/test_classification_engine.py::test_generate_niggli_table[ORCI-4] Working on ORCI...
Found 4 ops for ORCI
              [ 0  0 -1  0 -1  0 -1  0  0]: 5
              [ 0  0  1 -1  0  0 -1 -1  0]: 148
              [ 0  1  0  1  0  0  1  1 -1]: 52
              [ 0 -1  0  1  0 -1  1 -1  0]: 230
{'ORCI': [(0, 0, -1, 0, -1, 0, -1, 0, 0),
          (0, 0, 1, -1, 0, 0, -1, -1, 0),
          (0, 1, 0, 1, 0, 0, 1, 1, -1),
          (0, -1, 0, 1, 0, -1, 1, -1, 0)]}
ORCI: 4
PASSEDGlobal seed for "test/bravais/test_classification_engine.py:test_generate_niggli_table" was: 2927
bravais/test_classification_engine.py::test_generate_niggli_table[RHL-3] Working on RHL...
Found 3 ops for RHL
              [ 0 -1  0  1  1  1 -1  0  0]: 50
                       [1 0 0 0 1 0 0 0 1]: 81
              [ 1 -1  0  1  0 -1  1  0  0]: 17
{'RHL': [(0, -1, 0, 1, 1, 1, -1, 0, 0),
         (1, 0, 0, 0, 1, 0, 0, 0, 1),
         (1, -1, 0, 1, 0, -1, 1, 0, 0)]}
RHL: 3
PASSEDGlobal seed for "test/bravais/test_classification_engine.py:test_generate_niggli_table" was: 2927
bravais/test_eps.py::test_bravais_eps MCLC(a=4.41858, b=4.41866, c=7.12772, alpha=21.5832)
BCT(a=3.12444, c=5.24389)
PASSEDGlobal seed for "test/bravais/test_eps.py:test_bravais_eps" was: 3199
bravais/test_eps.py::test_mclc_eps MCLC(a=3.07972, b=12.4412, c=12.4412, alpha=27.2904)
PASSEDGlobal seed for "test/bravais/test_eps.py:test_mclc_eps" was: 5020
bravais/test_hex.py::test_bravais_hex PASSEDGlobal seed for "test/bravais/test_hex.py:test_bravais_hex" was: 9837
bravais/test_lattices.py::test_bravais_lattices CUB
a 3.0
cell Cell([3.0, 3.0, 3.0])
cellpar [ 3.  3.  3. 90. 90. 90.]
special path GXMGRX,MR
CUB(a=3)
FCC
a 3.0
cell Cell([[0.0, 1.5, 1.5], [1.5, 0.0, 1.5], [1.5, 1.5, 0.0]])
cellpar [ 2.12132034  2.12132034  2.12132034 60.         60.         60.        ]
special path GXWKGLUWLK,UX
FCC(a=3)
BCC
a 3.0
cell Cell([[-1.5, 1.5, 1.5], [1.5, -1.5, 1.5], [1.5, 1.5, -1.5]])
cellpar [  2.59807621   2.59807621   2.59807621 109.47122063 109.47122063
 109.47122063]
special path GHNGPH,PN
BCC(a=3)
TET
a 3.0
c 5.0
cell Cell([3.0, 3.0, 5.0])
cellpar [ 3.  3.  5. 90. 90. 90.]
special path GXMGZRAZ,XR,MA
TET(a=3, c=5)
BCT1
a 6.0
c 5.0
cell Cell([[-3.0, 3.0, 2.5], [3.0, -3.0, 2.5], [3.0, 3.0, -2.5]])
cellpar [  4.9244289    4.9244289    4.9244289  104.93552705 104.93552705
 118.98208227]
special path GXMGZPNZ1M,XP
BCT(a=6, c=5)
BCT2
a 3.0
c 5.0
cell Cell([[-1.5, 1.5, 2.5], [1.5, -1.5, 2.5], [1.5, 1.5, -2.5]])
cellpar [  3.27871926   3.27871926   3.27871926 125.548744   125.548744
  80.63108442]
special path GXYSGZS1NPY1Z,XP
BCT(a=3, c=5)
ORC
a 3.0
b 4.0
c 5.0
cell Cell([3.0, 4.0, 5.0])
cellpar [ 3.  4.  5. 90. 90. 90.]
special path GXSYGZURTZ,YT,UX,SR
ORC(a=3, b=4, c=5)
ORCF1
a 1.5617376188860606
b 4.0
c 5.0
cell Cell([[0.0, 2.0, 2.5], [0.7808688094430303, 0.0, 2.5], [0.7808688094430303, 2.0, 0.0]])
cellpar [ 3.20156212  2.61911361  2.14703426 83.77498756 54.41469754 41.8103149 ]
special path GYTZGXA1Y,TX1,XAZ,LG
ORCF(a=1.56174, b=4, c=5)
ORCF2
a 3.748170285326545
b 4.0
c 5.0
cell Cell([[0.0, 2.0, 2.5], [1.8740851426632725, 0.0, 2.5], [1.8740851426632725, 2.0, 0.0]])
cellpar [ 3.20156212  3.12445117  2.7408384  65.78700296 62.88085723 51.33213981]
special path GYCDXGZD1HC,C1Z,XH1,HY,LG
ORCF(a=3.74817, b=4, c=5)
ORCF3
a 3.123475237772121
b 4.0
c 5.0
cell Cell([[0.0, 2.0, 2.5], [1.5617376188860606, 0.0, 2.5], [1.5617376188860606, 2.0, 0.0]])
cellpar [ 3.20156212  2.94771511  2.53752328 70.96914281 60.5037915  48.52706569]
special path GYTZGXA1Y,XAZ,LG
ORCF(a=3.12348, b=4, c=5)
ORCI
a 3.0
b 4.0
c 5.0
cell Cell([[-1.5, 2.0, 2.5], [1.5, -2.0, 2.5], [1.5, 2.0, -2.5]])
cellpar [  3.53553391   3.53553391   3.53553391 129.7918195  111.10019602
  90.        ]
special path GXLTWRX1ZGYSW,L1Y,Y1Z
ORCI(a=3, b=4, c=5)
ORCC
a 3.0
b 4.0
c 5.0
cell Cell([[1.5, -2.0, 0.0], [1.5, 2.0, 0.0], [0.0, 0.0, 5.0]])
cellpar [  2.5          2.5          5.          90.          90.
 106.26020471]
special path GXSRAZGYX1A1TY,ZT
ORCC(a=3, b=4, c=5)
HEX
a 3.0
c 5.0
cell Cell([[1.5, -2.598076211353316, 0.0], [1.5, 2.598076211353316, 0.0], [0.0, 0.0, 5.0]])
cellpar [  3.   3.   5.  90.  90. 120.]
special path GMKGALHA,LM,KH
HEX(a=3, c=5)
RHL1
a 3.0
alpha 55.0
cell Cell([[2.6610324995346653, -1.3852458397051017, 0.0], [2.6610324995346653, 1.3852458397051017, 0.0], [1.9399191584703033, 0.0, 2.2883866934152253]])
cellpar [ 3.  3.  3. 55. 55. 55.]
special path GLB1,BZGX,QFP1Z,LP
RHL(a=3, alpha=55)
RHL2
a 3.0
alpha 105.0
cell Cell([[1.826284287026162, -2.3800600208737057, 0.0], [1.826284287026162, 2.3800600208737057, 0.0], [-1.2754703210614213, 0.0, 2.7153591769950944]])
cellpar [  3.   3.   3. 105. 105. 105.]
special path GPZQGFP1Q1LZ
RHL(a=3, alpha=105)
MCL
a 3.0
b 4.0
c 5.0
alpha 70.0
cell Cell([[3.0, 0.0, 0.0], [0.0, 4.0, 0.0], [0.0, 1.7101007166283442, 4.698463103929542]])
cellpar [ 3.  4.  5. 70. 90. 90.]
special path GYHCEM1AXH1,MDZ,YD
MCL(a=3, b=4, c=5, alpha=70)
MCLC1
a 3.0
b 4.0
c 5.0
alpha 80.0
cell Cell([[1.5, 2.0, 0.0], [-1.5, 2.0, 0.0], [0.0, 0.8682408883346521, 4.92403876506104]])
cellpar [ 2.5         2.5         5.         82.01472822 82.01472822 73.73979529]
special path GYFLI,I1ZF1,YX1,XGN,MG
MCLC(a=3, b=4, c=5, alpha=80)
MCLC3
a 5.4
b 4.0
c 10.0
alpha 80.0
cell Cell([[2.7, 2.0, 0.0], [-2.7, 2.0, 0.0], [0.0, 1.7364817766693041, 9.84807753012208]])
cellpar [  3.36005952   3.36005952  10.          84.0673023   84.0673023
 106.94228927]
special path GYFHZIF1,H1Y1XGN,MG
MCLC(a=5.4, b=4, c=10, alpha=80)
MCLC5
a 4.0
b 4.0
c 4.4
alpha 70.0
cell Cell([[2.0, 2.0, 0.0], [-2.0, 2.0, 0.0], [0.0, 1.504888630632943, 4.134647531457997]])
cellpar [ 2.82842712  2.82842712  4.4        76.00455464 76.00455464 90.        ]
special path GYFLI,I1ZHF1,H1Y1XGN,MG
MCLC(a=4, b=4, c=4.4, alpha=70)
TRI1a
a 4.698939955776828
b 4.248873823123456
c 3.8167409731581525
alpha 52.80892817220544
beta 59.81287523174559
gamma 64.94308436907447
cell Cell([[4.698939955776828, 0.0, 0.0], [1.7994760209596927, 3.849001794597504, 0.0], [1.9191555212352256, 1.649572197684643, 2.8571428571428568]])
cellpar [ 4.69893996  4.24887382  3.81674097 52.80892817 59.81287523 64.94308437]
special path XGY,LGZ,NGM,RG
TRI(a=4.69894, b=4.24887, c=3.81674, alpha=52.8089, beta=59.8129, gamma=64.9431)
TRI1b
a 4.6210361858277755
b 4.353462305267801
c 4.048957176992955
alpha 125.43108863021611
beta 112.90382343192935
gamma 91.78168190269837
cell Cell([[4.6210361858277755, 0.0, 0.0], [-0.13535438518689638, 4.3513576311075965, 0.0], [-1.57579510489717, -2.397427517649374, 2.8571428571428554]])
cellpar [  4.62103619   4.35346231   4.04895718 125.43108863 112.90382343
  91.7816819 ]
special path XGY,LGZ,NGM,RG
TRI(a=4.62104, b=4.35346, c=4.04896, alpha=125.431, beta=112.904, gamma=91.7817)
TRI2a
a 4.353927019882799
b 3.936906348383344
c 3.5910584813733144
alpha 57.85329859951989
beta 66.7383389733717
gamma 77.86954215542333
cell Cell([[4.353927019882799, 0.0, 0.0], [0.8272948574276792, 3.849001794597502, 0.0], [1.418219755590302, 1.6495721976846436, 2.857142857142858]])
cellpar [ 4.35392702  3.93690635  3.59105848 57.8532986  66.73833897 77.86954216]
special path XGY,LGZ,NGM,RG
TRI(a=4.35393, b=3.93691, c=3.59106, alpha=57.8533, beta=66.7383, gamma=77.8695)
TRI2b
a 5.279738173763635
b 4.97402318373018
c 4.923006212712101
alpha 137.92148593329694
beta 130.74575661832304
gamma 61.023267768850964
cell Cell([[5.279738173763635, 0.0, 0.0], [2.40968740679927, 4.351357631107598, 0.0], [-3.213264097751237, -2.3974275176493727, 2.8571428571428554]])
cellpar [  5.27973817   4.97402318   4.92300621 137.92148593 130.74575662
  61.02326777]
special path XGY,LGZ,NGM,RG
TRI(a=5.27974, b=4.97402, c=4.92301, alpha=137.921, beta=130.746, gamma=61.0233)
OBL
a 3.0
b 4.0
alpha 55.0
cell Cell([[3.0, 0.0, 0.0], [2.2943057454041846, 3.276608177155967, 0.0], [0.0, 0.0, 0.0]])
cellpar [ 3.  4.  0. 90. 90. 55.]
special path GYHCH1XG
OBL(a=3, b=4, alpha=55)
RECT
a 3.0
b 4.0
cell Cell([3.0, 4.0, 0.0])
cellpar [ 3.  4.  0. 90. 90. 90.]
special path GXSYGS
RECT(a=3, b=4)
CRECT
a 3.0
alpha 55.0
cell Cell([[3.0, 0.0, 0.0], [1.7207293090531386, 2.4574561328669753, 0.0], [0.0, 0.0, 0.0]])
cellpar [ 3.  3.  0. 90. 90. 55.]
special path GXA1YG
CRECT(a=3, alpha=55)
HEX2D
a 3.0
cell Cell([[3.0, 0.0, 0.0], [-1.5, 2.598076211353316, 0.0], [0.0, 0.0, 0.0]])
cellpar [  3.   3.   0.  90.  90. 120.]
special path GMKG
HEX2D(a=3)
SQR
a 3.0
cell Cell([3.0, 3.0, 0.0])
cellpar [ 3.  3.  0. 90. 90. 90.]
special path MGXM
SQR(a=3)
LINE
a 3.0
cell Cell([3.0, 0.0, 0.0])
cellpar [ 3.  0.  0. 90. 90. 90.]
special path GX
LINE(a=3)
OBL
a 3.0
b 4.0
alpha 110.0
cell Cell([[3.0, 0.0, 0.0], [-1.3680805733026749, 3.7587704831436337, 0.0], [0.0, 0.0, 0.0]])
cellpar [  3.   4.   0.  90.  90. 110.]
special path GYHCH1XG
OBL(a=3, b=4, alpha=110)
CRECT
a 3.0
alpha 110.0
cell Cell([[3.0, 0.0, 0.0], [-1.0260604299770062, 2.8190778623577253, 0.0], [0.0, 0.0, 0.0]])
cellpar [  3.   3.   0.  90.  90. 110.]
special path GXA1YG
CRECT(a=3, alpha=110)
PASSEDGlobal seed for "test/bravais/test_lattices.py:test_bravais_lattices" was: 8113
bravais/test_line_lattice.py::test_line_lattice [[0.  0.  0. ]
 [0.5 0.  0. ]]
[[0.  0.  0. ]
 [0.  0.  0.5]]
PASSEDGlobal seed for "test/bravais/test_line_lattice.py:test_line_lattice" was: 425
bravais/test_main.py::test_bravais_check TEST Cell([3.3, 3.3, 3.3]) [ True  True  True]
cub@012 --> cub OK [ 3.3  3.3  3.3 90.  90.  90. ]
TEST Cell([[0.0, 0.0, 3.3], [3.3, 0.0, 0.0], [0.0, 3.3, 0.0]]) [ True  True  True]
cub@201 --> cub OK [ 3.3  3.3  3.3 90.  90.  90. ]
TEST Cell([[0.0, 3.3, 0.0], [0.0, 0.0, 3.3], [3.3, 0.0, 0.0]]) [ True  True  True]
cub@120 --> cub OK [ 3.3  3.3  3.3 90.  90.  90. ]
TEST Cell([[0.0, 1.7, 1.7], [1.7, 0.0, 1.7], [1.7, 1.7, 0.0]]) [ True  True  True]
fcc@012 --> fcc OK [ 2.40416306  2.40416306  2.40416306 60.         60.         60.        ]
TEST Cell([[1.7, 1.7, 0.0], [0.0, 1.7, 1.7], [1.7, 0.0, 1.7]]) [ True  True  True]
fcc@201 --> fcc OK [ 2.40416306  2.40416306  2.40416306 60.         60.         60.        ]
TEST Cell([[1.7, 0.0, 1.7], [1.7, 1.7, 0.0], [0.0, 1.7, 1.7]]) [ True  True  True]
fcc@120 --> fcc OK [ 2.40416306  2.40416306  2.40416306 60.         60.         60.        ]
TEST Cell([[0.0, 2.04, 2.04], [2.04, 0.0, 2.04], [2.04, 2.04, 0.0]]) [ True  True  True]
fcc@012 --> fcc OK [ 2.88499567  2.88499567  2.88499567 60.         60.         60.        ]
TEST Cell([[2.04, 2.04, 0.0], [0.0, 2.04, 2.04], [2.04, 0.0, 2.04]]) [ True  True  True]
fcc@201 --> fcc OK [ 2.88499567  2.88499567  2.88499567 60.         60.         60.        ]
TEST Cell([[2.04, 0.0, 2.04], [2.04, 2.04, 0.0], [0.0, 2.04, 2.04]]) [ True  True  True]
fcc@120 --> fcc OK [ 2.88499567  2.88499567  2.88499567 60.         60.         60.        ]
TEST Cell([[-1.75, 1.75, 1.75], [1.75, -1.75, 1.75], [1.75, 1.75, -1.75]]) [ True  True  True]
bcc@012 --> bcc OK [  3.03108891   3.03108891   3.03108891 109.47122063 109.47122063
 109.47122063]
TEST Cell([[1.75, 1.75, -1.75], [-1.75, 1.75, 1.75], [1.75, -1.75, 1.75]]) [ True  True  True]
bcc@201 --> bcc OK [  3.03108891   3.03108891   3.03108891 109.47122063 109.47122063
 109.47122063]
TEST Cell([[1.75, -1.75, 1.75], [1.75, 1.75, -1.75], [-1.75, 1.75, 1.75]]) [ True  True  True]
bcc@120 --> bcc OK [  3.03108891   3.03108891   3.03108891 109.47122063 109.47122063
 109.47122063]
TEST Cell([[-1.435, 1.435, 1.435], [1.435, -1.435, 1.435], [1.435, 1.435, -1.435]]) [ True  True  True]
bcc@012 --> bcc OK [  2.48549291   2.48549291   2.48549291 109.47122063 109.47122063
 109.47122063]
TEST Cell([[1.435, 1.435, -1.435], [-1.435, 1.435, 1.435], [1.435, -1.435, 1.435]]) [ True  True  True]
bcc@201 --> bcc OK [  2.48549291   2.48549291   2.48549291 109.47122063 109.47122063
 109.47122063]
TEST Cell([[1.435, -1.435, 1.435], [1.435, 1.435, -1.435], [-1.435, 1.435, 1.435]]) [ True  True  True]
bcc@120 --> bcc OK [  2.48549291   2.48549291   2.48549291 109.47122063 109.47122063
 109.47122063]
TEST Cell([4.0, 4.0, 5.0]) [ True  True  True]
tet@012 --> tet OK [ 4.  4.  5. 90. 90. 90.]
TEST Cell([[0.0, 0.0, 5.0], [4.0, 0.0, 0.0], [0.0, 4.0, 0.0]]) [ True  True  True]
tet@201 --> tet OK [ 5.  4.  4. 90. 90. 90.]
TEST Cell([[0.0, 4.0, 0.0], [0.0, 0.0, 5.0], [4.0, 0.0, 0.0]]) [ True  True  True]
tet@120 --> tet OK [ 4.  5.  4. 90. 90. 90.]
TEST Cell([4.0, 5.0, 5.0]) [ True  True  True]
tet@012 --> tet OK [ 4.  5.  5. 90. 90. 90.]
TEST Cell([[0.0, 0.0, 5.0], [4.0, 0.0, 0.0], [0.0, 5.0, 0.0]]) [ True  True  True]
tet@201 --> tet OK [ 5.  4.  5. 90. 90. 90.]
TEST Cell([[0.0, 5.0, 0.0], [0.0, 0.0, 5.0], [4.0, 0.0, 0.0]]) [ True  True  True]
tet@120 --> tet OK [ 5.  5.  4. 90. 90. 90.]
TEST Cell([5.0, 4.0, 5.0]) [ True  True  True]
tet@012 --> tet OK [ 5.  4.  5. 90. 90. 90.]
TEST Cell([[0.0, 0.0, 5.0], [5.0, 0.0, 0.0], [0.0, 4.0, 0.0]]) [ True  True  True]
tet@201 --> tet OK [ 5.  5.  4. 90. 90. 90.]
TEST Cell([[0.0, 4.0, 0.0], [0.0, 0.0, 5.0], [5.0, 0.0, 0.0]]) [ True  True  True]
tet@120 --> tet OK [ 4.  5.  5. 90. 90. 90.]
TEST Cell([5.0, 5.0, 4.0]) [ True  True  True]
tet@012 --> tet OK [ 5.  5.  4. 90. 90. 90.]
TEST Cell([[0.0, 0.0, 4.0], [5.0, 0.0, 0.0], [0.0, 5.0, 0.0]]) [ True  True  True]
tet@201 --> tet OK [ 4.  5.  5. 90. 90. 90.]
TEST Cell([[0.0, 5.0, 0.0], [0.0, 0.0, 4.0], [5.0, 0.0, 0.0]]) [ True  True  True]
tet@120 --> tet OK [ 5.  4.  5. 90. 90. 90.]
TEST Cell([[-1.5, 1.5, 2.0], [1.5, -1.5, 2.0], [1.5, 1.5, -2.0]]) [ True  True  True]
bct@012 --> bct OK [  2.91547595   2.91547595   2.91547595 118.07248694 118.07248694
  93.37228668]
TEST Cell([[1.5, 1.5, -2.0], [-1.5, 1.5, 2.0], [1.5, -1.5, 2.0]]) [ True  True  True]
bct@201 --> bct OK [  2.91547595   2.91547595   2.91547595  93.37228668 118.07248694
 118.07248694]
TEST Cell([[1.5, -1.5, 2.0], [1.5, 1.5, -2.0], [-1.5, 1.5, 2.0]]) [ True  True  True]
bct@120 --> bct OK [  2.91547595   2.91547595   2.91547595 118.07248694  93.37228668
 118.07248694]
TEST Cell([3.0, 4.0, 5.0]) [ True  True  True]
orc@012 --> orc OK [ 3.  4.  5. 90. 90. 90.]
TEST Cell([[0.0, 0.0, 5.0], [3.0, 0.0, 0.0], [0.0, 4.0, 0.0]]) [ True  True  True]
orc@201 --> orc OK [ 5.  3.  4. 90. 90. 90.]
TEST Cell([[0.0, 4.0, 0.0], [0.0, 0.0, 5.0], [3.0, 0.0, 0.0]]) [ True  True  True]
orc@120 --> orc OK [ 4.  5.  3. 90. 90. 90.]
TEST Cell([[0.0, 2.5, 3.5], [2.0, 0.0, 3.5], [2.0, 2.5, 0.0]]) [ True  True  True]
orcf@012 --> orcf OK [ 4.30116263  4.03112887  3.20156212 71.94465426 63.0076985  45.04764724]
TEST Cell([[2.0, 2.5, 0.0], [0.0, 2.5, 3.5], [2.0, 0.0, 3.5]]) [ True  True  True]
orcf@201 --> orcf OK [ 3.20156212  4.30116263  4.03112887 45.04764724 71.94465426 63.0076985 ]
TEST Cell([[2.0, 0.0, 3.5], [2.0, 2.5, 0.0], [0.0, 2.5, 3.5]]) [ True  True  True]
orcf@120 --> orcf OK [ 4.03112887  3.20156212  4.30116263 63.0076985  45.04764724 71.94465426]
TEST Cell([[-1.0, 2.5, 3.0], [1.0, -2.5, 3.0], [1.0, 2.5, -3.0]]) [ True  True  True]
orci@012 --> orci OK [  4.03112887   4.03112887   4.03112887 151.27339465 103.3423638
  83.81769576]
TEST Cell([[1.0, 2.5, -3.0], [-1.0, 2.5, 3.0], [1.0, -2.5, 3.0]]) [ True  True  True]
orci@201 --> orci OK [  4.03112887   4.03112887   4.03112887  83.81769576 151.27339465
 103.3423638 ]
TEST Cell([[1.0, -2.5, 3.0], [1.0, 2.5, -3.0], [-1.0, 2.5, 3.0]]) [ True  True  True]
orci@120 --> orci OK [  4.03112887   4.03112887   4.03112887 103.3423638   83.81769576
 151.27339465]
TEST Cell([[1.5, -2.0, 0.0], [1.5, 2.0, 0.0], [0.0, 0.0, 5.0]]) [ True  True  True]
orcc@012 --> orcc OK [  2.5          2.5          5.          90.          90.
 106.26020471]
TEST Cell([[0.0, 0.0, 5.0], [1.5, -2.0, 0.0], [1.5, 2.0, 0.0]]) [ True  True  True]
orcc@201 --> orcc OK [  5.           2.5          2.5        106.26020471  90.
  90.        ]
TEST Cell([[1.5, 2.0, 0.0], [0.0, 0.0, 5.0], [1.5, -2.0, 0.0]]) [ True  True  True]
orcc@120 --> orcc OK [  2.5          5.           2.5         90.         106.26020471
  90.        ]
TEST Cell([[2.8849956672411143, 0.0, 0.0], [1.4424978336205572, 2.4984795376388416, 0.0], [0.0, 0.0, 7.06676729488102]]) [ True  True  True]
hex@012 --> hex OK [ 2.88499567  2.88499567  7.06676729 90.         90.         60.        ]
TEST Cell([[0.0, 0.0, 7.06676729488102], [2.8849956672411143, 0.0, 0.0], [1.4424978336205572, 2.4984795376388416, 0.0]]) [ True  True  True]
hex@201 --> hex OK [ 7.06676729  2.88499567  2.88499567 60.         90.         90.        ]
TEST Cell([[1.4424978336205572, 2.4984795376388416, 0.0], [0.0, 0.0, 7.06676729488102], [2.8849956672411143, 0.0, 0.0]]) [ True  True  True]
hex@120 --> hex OK [ 2.88499567  7.06676729  2.88499567 90.         60.         90.        ]
TEST Cell([[2.5, -4.330127018922193, 0.0], [2.5, 4.330127018922193, 0.0], [0.0, 0.0, 6.0]]) [ True  True  True]
hex@012 --> hex OK [  5.   5.   6.  90.  90. 120.]
TEST Cell([[0.0, 0.0, 6.0], [2.5, -4.330127018922193, 0.0], [2.5, 4.330127018922193, 0.0]]) [ True  True  True]
hex@201 --> hex OK [  6.   5.   5. 120.  90.  90.]
TEST Cell([[2.5, 4.330127018922193, 0.0], [0.0, 0.0, 6.0], [2.5, -4.330127018922193, 0.0]]) [ True  True  True]
hex@120 --> hex OK [  5.   6.   5.  90. 120.  90.]
TEST Cell([[3.5640260967534716, -1.815961998958187, 0.0], [3.5640260967534716, 1.815961998958187, 0.0], [2.6387472429694996, 0.0, 3.0061625018819034]]) [ True  True  True]
rhl@012 --> rhl OK [ 4.  4.  4. 54. 54. 54.]
TEST Cell([[2.6387472429694996, 0.0, 3.0061625018819034], [3.5640260967534716, -1.815961998958187, 0.0], [3.5640260967534716, 1.815961998958187, 0.0]]) [ True  True  True]
rhl@201 --> rhl OK [ 4.  4.  4. 54. 54. 54.]
TEST Cell([[3.5640260967534716, 1.815961998958187, 0.0], [2.6387472429694996, 0.0, 3.0061625018819034], [3.5640260967534716, -1.815961998958187, 0.0]]) [ True  True  True]
rhl@120 --> rhl OK [ 4.  4.  4. 54. 54. 54.]
TEST Cell([[2.0, 0.0, 0.0], [0.0, 3.0, 0.0], [0.0, 1.8778862511435634, 3.5317903714357075]]) [ True  True  True]
mcl@012 --> mcl OK [ 2.  3.  4. 62. 90. 90.]
TEST Cell([[0.0, 1.8778862511435634, 3.5317903714357075], [2.0, 0.0, 0.0], [0.0, 3.0, 0.0]]) [ True  True  True]
mcl@201 --> mcl OK [ 4.  2.  3. 90. 62. 90.]
TEST Cell([[0.0, 3.0, 0.0], [0.0, 1.8778862511435634, 3.5317903714357075], [2.0, 0.0, 0.0]]) [ True  True  True]
mcl@120 --> mcl OK [ 3.  4.  2. 90. 90. 62.]
TEST Cell([[1.5, 2.0, 0.0], [-1.5, 2.0, 0.0], [0.0, 1.2940952255126037, 4.8296291314453415]]) [ True  True  True]
mclc@012 --> mclc OK [ 2.5         2.5         5.         78.05016286 78.05016286 73.73979529]
TEST Cell([[0.0, 1.2940952255126037, 4.8296291314453415], [1.5, 2.0, 0.0], [-1.5, 2.0, 0.0]]) [ True  True  True]
mclc@201 --> mclc OK [ 5.          2.5         2.5        73.73979529 78.05016286 78.05016286]
TEST Cell([[-1.5, 2.0, 0.0], [0.0, 1.2940952255126037, 4.8296291314453415], [1.5, 2.0, 0.0]]) [ True  True  True]
mclc@120 --> mclc OK [ 2.5         5.          2.5        78.05016286 73.73979529 78.05016286]
TEST Cell([[7.0, 0.0, 0.0], [1.0418890660015825, 5.908846518073248, 0.0], [1.7101007166283442, 1.8441522521315485, 4.321418518258254]]) [ True  True  True]
tri@012 --> tri OK [ 7.  6.  5. 65. 70. 80.]
TEST Cell([[1.7101007166283442, 1.8441522521315485, 4.321418518258254], [7.0, 0.0, 0.0], [1.0418890660015825, 5.908846518073248, 0.0]]) [ True  True  True]
tri@201 --> tri OK [ 5.  7.  6. 80. 65. 70.]
TEST Cell([[1.0418890660015825, 5.908846518073248, 0.0], [1.7101007166283442, 1.8441522521315485, 4.321418518258254], [7.0, 0.0, 0.0]]) [ True  True  True]
tri@120 --> tri OK [ 6.  5.  7. 70. 80. 65.]
TEST Cell([3.0, 3.0, 0.0]) [ True  True False]
sqr@012 --> sqr OK [ 3.  3.  0. 90. 90. 90.]
TEST Cell([3.0, 3.0, 10.0]) [ True  True False]
sqr@012 --> sqr OK [ 3.  3. 10. 90. 90. 90.]
TEST Cell([[0.0, 0.0, 10.0], [3.0, 0.0, 0.0], [0.0, 3.0, 0.0]]) [False  True  True]
TEST Cell([[0.0, 3.0, 0.0], [0.0, 0.0, 10.0], [3.0, 0.0, 0.0]]) [ True False  True]
TEST Cell([[3.0, 0.0, 0.0], [2.298133329356934, 1.9283628290596178, 0.0], [0.0, 0.0, 0.0]]) [ True  True False]
crect@012 --> crect OK [ 3.  3.  0. 90. 90. 40.]
TEST Cell([[3.0, 0.0, 0.0], [2.298133329356934, 1.9283628290596178, 0.0], [0.0, 0.0, 10.0]]) [1 1 0]
crect@012 --> crect OK [ 3.  3. 10. 90. 90. 40.]
TEST Cell([[0.0, 0.0, 10.0], [3.0, 0.0, 0.0], [2.298133329356934, 1.9283628290596178, 0.0]]) [0 1 1]
TEST Cell([[2.298133329356934, 1.9283628290596178, 0.0], [0.0, 0.0, 10.0], [3.0, 0.0, 0.0]]) [1 0 1]
TEST Cell([3.0, 4.0, 0.0]) [ True  True False]
rect@012 --> rect OK [ 3.  4.  0. 90. 90. 90.]
TEST Cell([3.0, 4.0, 10.0]) [1 1 0]
rect@012 --> rect OK [ 3.  4. 10. 90. 90. 90.]
TEST Cell([[0.0, 0.0, 10.0], [3.0, 0.0, 0.0], [0.0, 4.0, 0.0]]) [0 1 1]
TEST Cell([[0.0, 4.0, 0.0], [0.0, 0.0, 10.0], [3.0, 0.0, 0.0]]) [1 0 1]
TEST Cell([[3.0, 0.0, 0.0], [-1.5, 2.598076211353316, 0.0], [0.0, 0.0, 0.0]]) [ True  True False]
hex2d@012 --> hex2d OK [  3.   3.   0.  90.  90. 120.]
TEST Cell([[3.0, 0.0, 0.0], [-1.5, 2.598076211353316, 0.0], [0.0, 0.0, 0.0]]) [ True  True False]
hex2d@012 --> hex2d OK [  3.   3.   0.  90.  90. 120.]
TEST Cell([[3.0, 0.0, 0.0], [3.064177772475912, 2.571150438746157, 0.0], [0.0, 0.0, 0.0]]) [ True  True False]
obl@012 --> obl OK [ 3.  4.  0. 90. 90. 40.]
TEST Cell([[3.0, 0.0, 0.0], [3.064177772475912, 2.571150438746157, 0.0], [0.0, 0.0, 10.0]]) [ True  True False]
obl@012 --> obl OK [ 3.  4. 10. 90. 90. 40.]
TEST Cell([[0.0, 0.0, 10.0], [3.0, 0.0, 0.0], [3.064177772475912, 2.571150438746157, 0.0]]) [False  True  True]
TEST Cell([[3.064177772475912, 2.571150438746157, 0.0], [0.0, 0.0, 10.0], [3.0, 0.0, 0.0]]) [ True False  True]
TEST Cell([3.0, 0.0, 0.0]) [ True False False]
line@012 --> line OK [ 3.  0.  0. 90. 90. 90.]
TEST Cell([3.0, 1.0, 1.0]) [1 0 0]
line@012 --> line OK [ 3.  1.  1. 90. 90. 90.]
TEST Cell([0.0, 0.0, 3.0]) [False False  True]
line@012 --> line OK [ 0.  0.  3. 90. 90. 90.]
TEST Cell([1.0, 1.0, 3.0]) [0 0 1]
line@012 --> line OK [ 1.  1.  3. 90. 90. 90.]
PASSEDGlobal seed for "test/bravais/test_main.py:test_bravais_check" was: 3936
bravais/test_orcc_mcl.py::test_bravais_orcc_mcl 218.75148019650794 218.75148019650794
cellpar1 [ 1.          2.          3.04138127 90.         99.46232221 90.        ]
cellpar2 [ 1.          2.          3.04138127 90.         99.46232221 90.        ]
[ 1.          2.          3.04121703 90.         99.44373879 90.        ]
[ 1.          2.          3.04121703 90.         99.44373879 90.        ]
PASSEDGlobal seed for "test/bravais/test_orcc_mcl.py:test_bravais_orcc_mcl" was: 177
bravais/test_standard_form.py::test_lattice[lat0] check CUB(a=3) --> CUB(a=3)
check CUB(a=3) --> CUB(a=3)
check CUB(a=3) --> CUB(a=3)
PASSEDGlobal seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
bravais/test_standard_form.py::test_lattice[lat1] check FCC(a=3) --> FCC(a=3)
check FCC(a=3) --> FCC(a=3)
check FCC(a=3) --> FCC(a=3)
PASSEDGlobal seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
bravais/test_standard_form.py::test_lattice[lat2] check BCC(a=3) --> BCC(a=3.0000000000000004441)
check BCC(a=3) --> BCC(a=3.0000000000000004441)
check BCC(a=3) --> BCC(a=3.0000000000000004441)
PASSEDGlobal seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
bravais/test_standard_form.py::test_lattice[lat3] check TET(a=3, c=5) --> TET(a=3, c=5)
check TET(a=3, c=5) --> TET(a=3, c=5)
check TET(a=3, c=5) --> TET(a=3, c=5)
PASSEDGlobal seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
bravais/test_standard_form.py::test_lattice[lat4] check BCT(a=6, c=5) --> BCT(a=6, c=5)
check BCT(a=6, c=5) --> BCT(a=6, c=4.9999999999999982236)
check BCT(a=6, c=5) --> BCT(a=6, c=4.9999999999999982236)
PASSEDGlobal seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
bravais/test_standard_form.py::test_lattice[lat5] check BCT(a=3, c=5) --> BCT(a=3, c=5)
check BCT(a=3, c=5) --> BCT(a=2.9999999999999995559, c=5)
check BCT(a=3, c=5) --> BCT(a=2.9999999999999995559, c=5)
PASSEDGlobal seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
bravais/test_standard_form.py::test_lattice[lat6] check ORC(a=3, b=4, c=5) --> ORC(a=3, b=4, c=5)
check ORC(a=3, b=4, c=5) --> ORC(a=3, b=4, c=5)
check ORC(a=3, b=4, c=5) --> ORC(a=3, b=4, c=5)
PASSEDGlobal seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
bravais/test_standard_form.py::test_lattice[lat7] check ORCF(a=1.5617376188860605524, b=4, c=5) --> ORCF(a=1.5617376188860605524, b=4, c=5)
check ORCF(a=1.5617376188860605524, b=4, c=5) --> ORCF(a=1.5617376188860605524, b=4, c=5)
check ORCF(a=1.5617376188860605524, b=4, c=5) --> ORCF(a=1.5617376188860605524, b=3.9999999999999995559, c=5)
PASSEDGlobal seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
bravais/test_standard_form.py::test_lattice[lat8] check ORCF(a=3.7481702853265450592, b=4, c=5) --> ORCF(a=3.7481702853265450592, b=4, c=5)
check ORCF(a=3.7481702853265450592, b=4, c=5) --> ORCF(a=3.7481702853265450592, b=4, c=4.9999999999999991118)
check ORCF(a=3.7481702853265450592, b=4, c=5) --> ORCF(a=3.7481702853265450592, b=4, c=4.9999999999999991118)
PASSEDGlobal seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
bravais/test_standard_form.py::test_lattice[lat9] check ORCF(a=3.1234752377721211047, b=4, c=5) --> ORCF(a=3.1234752377721211047, b=4, c=5)
check ORCF(a=3.1234752377721211047, b=4, c=5) --> ORCF(a=3.1234752377721215488, b=3.9999999999999995559, c=5)
check ORCF(a=3.1234752377721211047, b=4, c=5) --> ORCF(a=3.1234752377721215488, b=3.9999999999999995559, c=5)
PASSEDGlobal seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
bravais/test_standard_form.py::test_lattice[lat10] check ORCI(a=3, b=4, c=5) --> ORCI(a=3, b=4, c=5)
check ORCI(a=3, b=4, c=5) --> ORCI(a=2.9999999999999995559, b=4, c=5.0000000000000008882)
check ORCI(a=3, b=4, c=5) --> ORCI(a=2.9999999999999995559, b=4, c=5.0000000000000008882)
PASSEDGlobal seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
bravais/test_standard_form.py::test_lattice[lat11] check ORCC(a=3, b=4, c=5) --> ORCC(a=3, b=4, c=5)
check ORCC(a=3, b=4, c=5) --> ORCC(a=2.9999999999999995559, b=4, c=5)
check ORCC(a=3, b=4, c=5) --> ORCC(a=2.9999999999999995559, b=4, c=5)
PASSEDGlobal seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
bravais/test_standard_form.py::test_lattice[lat12] check HEX(a=3, c=5) --> HEX(a=3, c=5)
check HEX(a=3, c=5) --> HEX(a=3, c=5)
check HEX(a=3, c=5) --> HEX(a=3, c=5)
PASSEDGlobal seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
bravais/test_standard_form.py::test_lattice[lat13] check RHL(a=3, alpha=55) --> RHL(a=3, alpha=54.999999999999985789)
check RHL(a=3, alpha=55) --> RHL(a=3.0000000000000004441, alpha=54.999999999999985789)
check RHL(a=3, alpha=55) --> RHL(a=3.0000000000000004441, alpha=54.999999999999985789)
PASSEDGlobal seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
bravais/test_standard_form.py::test_lattice[lat14] check RHL(a=3, alpha=105) --> RHL(a=3.0000000000000004441, alpha=105.00000000000001421)
check RHL(a=3, alpha=105) --> RHL(a=3.0000000000000004441, alpha=105.00000000000001421)
check RHL(a=3, alpha=105) --> RHL(a=3.0000000000000004441, alpha=105.00000000000001421)
PASSEDGlobal seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
bravais/test_standard_form.py::test_lattice[lat15] check MCL(a=3, b=4, c=5, alpha=70) --> MCL(a=3, b=4, c=5, alpha=70)
check MCL(a=3, b=4, c=5, alpha=70) --> MCL(a=3, b=4, c=5.0000000000000008882, alpha=70.000000000000014211)
check MCL(a=3, b=4, c=5, alpha=70) --> MCL(a=3, b=4, c=5.0000000000000008882, alpha=70.000000000000014211)
PASSEDGlobal seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
bravais/test_standard_form.py::test_lattice[lat16] check MCLC(a=3, b=4, c=5, alpha=80) --> MCLC(a=3, b=4, c=4.9999999999999991118, alpha=80)
check MCLC(a=3, b=4, c=5, alpha=80) --> MCLC(a=3, b=4, c=4.9999999999999991118, alpha=79.999999999999985789)
check MCLC(a=3, b=4, c=5, alpha=80) --> MCLC(a=3, b=4, c=4.9999999999999991118, alpha=79.999999999999985789)
PASSEDGlobal seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
bravais/test_standard_form.py::test_lattice[lat17] check MCLC(a=5.4000000000000003553, b=4, c=10, alpha=80) --> MCLC(a=5.4000000000000003553, b=4, c=9.9999999999999982236, alpha=80)
check MCLC(a=5.4000000000000003553, b=4, c=10, alpha=80) --> MCLC(a=5.4000000000000012434, b=3.9999999999999995559, c=9.9999999999999982236, alpha=79.999999999999985789)
check MCLC(a=5.4000000000000003553, b=4, c=10, alpha=80) --> MCLC(a=5.4000000000000012434, b=3.9999999999999995559, c=9.9999999999999982236, alpha=79.999999999999985789)
PASSEDGlobal seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
bravais/test_standard_form.py::test_lattice[lat18] check MCLC(a=4, b=4, c=4.4000000000000003553, alpha=70) --> MCLC(a=4, b=4, c=4.4000000000000003553, alpha=70)
check MCLC(a=4, b=4, c=4.4000000000000003553, alpha=70) --> MCLC(a=4, b=4, c=4.4000000000000003553, alpha=70)
check MCLC(a=4, b=4, c=4.4000000000000003553, alpha=70) --> MCLC(a=4, b=4, c=4.4000000000000003553, alpha=70)
PASSEDGlobal seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
bravais/test_standard_form.py::test_lattice[lat19] check TRI(a=4.6989399557768276594, b=4.2488738231234561837, c=3.8167409731581525278, alpha=52.808928172205440887, beta=59.812875231745593396, gamma=64.943084369074469464) --> TRI(a=4.6989399557768276594, b=4.2488738231234561837, c=3.8167409731581525278, alpha=52.808928172205455098, beta=59.812875231745593396, gamma=64.943084369074469464)
PASSEDGlobal seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
bravais/test_standard_form.py::test_lattice[lat20] check TRI(a=4.6210361858277755331, b=4.3534623052678007582, c=4.0489571769929550982, alpha=125.43108863021610944, beta=112.90382343192935366, gamma=91.781681902698366571) --> TRI(a=4.6210361858277755331, b=4.3534623052678007582, c=4.0489571769929550982, alpha=125.43108863021610944, beta=112.90382343192935366, gamma=91.781681902698366571)
PASSEDGlobal seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
bravais/test_standard_form.py::test_lattice[lat21] check TRI(a=4.3539270198827990654, b=3.9369063483833439676, c=3.5910584813733144038, alpha=57.853298599519888512, beta=66.738338973371696738, gamma=77.869542155423332019) --> TRI(a=4.3539270198827990654, b=3.9369063483833439676, c=3.5910584813733144038, alpha=57.853298599519888512, beta=66.738338973371696738, gamma=77.869542155423332019)
PASSEDGlobal seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
bravais/test_standard_form.py::test_lattice[lat22] check TRI(a=5.2797381737636346344, b=4.9740231837301802642, c=4.9230062127121012594, alpha=137.9214859332969354, beta=130.74575661832304263, gamma=61.023267768850963932) --> TRI(a=5.2797381737636346344, b=4.9740231837301811524, c=4.9230062127121003712, alpha=137.9214859332969354, beta=130.74575661832307105, gamma=61.023267768850963932)
PASSEDGlobal seed for "test/bravais/test_standard_form.py:test_lattice" was: 12070
build_/test_attach.py::test_attach_molecules PASSEDGlobal seed for "test/build_/test_attach.py:test_attach_molecules" was: 3911
build_/test_attach.py::test_pbc PASSEDGlobal seed for "test/build_/test_attach.py:test_pbc" was: 8561
build_/test_attach.py::test_attach_to_surface PASSEDGlobal seed for "test/build_/test_attach.py:test_attach_to_surface" was: 545
build_/test_attach.py::test_attach_randomly PASSEDGlobal seed for "test/build_/test_attach.py:test_attach_randomly" was: 1024
build_/test_build_bulk.py::test_build_bulk 3 Li bcc BCC(a=3.49) [3.02242866 3.02242866 3.02242866]
4 Be hcp HEX(a=2.29, c=3.58843) [2.29    2.29    3.58843]
6 C diamond FCC(a=3.57) [2.52437121 2.52437121 2.52437121]
10 Ne fcc FCC(a=4.43) [3.13248304 3.13248304 3.13248304]
11 Na bcc BCC(a=4.23) [3.66328746 3.66328746 3.66328746]
12 Mg hcp HEX(a=3.21, c=5.21304) [3.21    3.21    5.21304]
13 Al fcc FCC(a=4.05) [2.86378246 2.86378246 2.86378246]
14 Si diamond FCC(a=5.43) [3.83958982 3.83958982 3.83958982]
18 Ar fcc FCC(a=5.26) [3.71938167 3.71938167 3.71938167]
19 K bcc BCC(a=5.23) [4.52931286 4.52931286 4.52931286]
20 Ca fcc FCC(a=5.58) [3.94565584 3.94565584 3.94565584]
21 Sc hcp HEX(a=3.31, c=5.27614) [3.31    3.31    5.27614]
22 Ti hcp HEX(a=2.95, c=4.6846) [2.95   2.95   4.6846]
23 V bcc BCC(a=3.02) [2.61539672 2.61539672 2.61539672]
24 Cr bcc BCC(a=2.88) [2.49415316 2.49415316 2.49415316]
26 Fe bcc BCC(a=2.87) [2.48549291 2.48549291 2.48549291]
27 Co hcp HEX(a=2.51, c=4.07122) [2.51    2.51    4.07122]
28 Ni fcc FCC(a=3.52) [2.48901587 2.48901587 2.48901587]
29 Cu fcc FCC(a=3.61) [2.55265548 2.55265548 2.55265548]
30 Zn hcp HEX(a=2.66, c=4.93696) [2.66    2.66    4.93696]
32 Ge diamond FCC(a=5.66) [4.00222438 4.00222438 4.00222438]
33 As rhombohedral RHL(a=4.13, alpha=54.1) [4.13 4.13 4.13]
36 Kr fcc FCC(a=5.72) [4.04465079 4.04465079 4.04465079]
37 Rb bcc BCC(a=5.59) [4.84108201 4.84108201 4.84108201]
38 Sr fcc FCC(a=6.08) [4.29920923 4.29920923 4.29920923]
39 Y hcp HEX(a=3.65, c=5.73415) [3.65    3.65    5.73415]
40 Zr hcp HEX(a=3.23, c=5.14539) [3.23    3.23    5.14539]
41 Nb bcc BCC(a=3.3) [2.85788383 2.85788383 2.85788383]
42 Mo bcc BCC(a=3.15) [2.72798002 2.72798002 2.72798002]
43 Tc hcp HEX(a=2.74, c=4.39496) [2.74    2.74    4.39496]
44 Ru hcp HEX(a=2.7, c=4.2768) [2.7    2.7    4.2768]
45 Rh fcc FCC(a=3.8) [2.68700577 2.68700577 2.68700577]
46 Pd fcc FCC(a=3.89) [2.75064538 2.75064538 2.75064538]
47 Ag fcc FCC(a=4.09) [2.89206674 2.89206674 2.89206674]
48 Cd hcp HEX(a=2.98, c=5.62028) [2.98    2.98    5.62028]
49 In bct BCT(a=3.24562, c=4.93884) [3.37121049 3.37121049 3.37121049]
50 Sn bct BCT(a=5.82, c=3.17772) [4.41142563 4.41142563 4.41142563]
51 Sb rhombohedral RHL(a=4.51, alpha=57.6) [4.51 4.51 4.51]
54 Xe fcc FCC(a=6.2) [4.38406204 4.38406204 4.38406204]
55 Cs bcc BCC(a=6.05) [5.23945369 5.23945369 5.23945369]
56 Ba bcc BCC(a=5.02) [4.34744753 4.34744753 4.34744753]
57 La hcp HEX(a=3.75, c=6.07125) [3.75    3.75    6.07125]
58 Ce fcc FCC(a=5.16) [3.64867099 3.64867099 3.64867099]
59 Pr hcp HEX(a=3.67, c=5.92338) [3.67    3.67    5.92338]
60 Nd hcp HEX(a=3.66, c=5.90724) [3.66    3.66    5.90724]
62 Sm rhombohedral RHL(a=9, alpha=23.13) [9. 9. 9.]
63 Eu bcc BCC(a=4.61) [3.99237711 3.99237711 3.99237711]
64 Gd hcp HEX(a=3.64, c=5.78032) [3.64    3.64    5.78032]
65 Tb hcp HEX(a=3.6, c=5.6916) [3.6    3.6    5.6916]
66 Dy hcp HEX(a=3.59, c=5.64707) [3.59    3.59    5.64707]
67 Ho hcp HEX(a=3.58, c=5.6206) [3.58   3.58   5.6206]
68 Er hcp HEX(a=3.56, c=5.5892) [3.56   3.56   5.5892]
69 Tm hcp HEX(a=3.54, c=5.5578) [3.54   3.54   5.5578]
70 Yb fcc FCC(a=5.49) [3.88201623 3.88201623 3.88201623]
71 Lu hcp HEX(a=3.51, c=5.56335) [3.51    3.51    5.56335]
72 Hf hcp HEX(a=3.2, c=5.0624) [3.2    3.2    5.0624]
73 Ta bcc BCC(a=3.31) [2.86654409 2.86654409 2.86654409]
74 W bcc BCC(a=3.16) [2.73664028 2.73664028 2.73664028]
75 Re hcp HEX(a=2.76, c=4.4574) [2.76   2.76   4.4574]
76 Os hcp HEX(a=2.74, c=4.32646) [2.74    2.74    4.32646]
77 Ir fcc FCC(a=3.84) [2.71529004 2.71529004 2.71529004]
78 Pt fcc FCC(a=3.92) [2.77185858 2.77185858 2.77185858]
79 Au fcc FCC(a=4.08) [2.88499567 2.88499567 2.88499567]
80 Hg rhombohedral RHL(a=2.99, alpha=70.45) [2.99 2.99 2.99]
81 Tl hcp HEX(a=3.46, c=5.53254) [3.46    3.46    5.53254]
82 Pb fcc FCC(a=4.95) [3.50017857 3.50017857 3.50017857]
83 Bi rhombohedral RHL(a=4.75, alpha=57.14) [4.75 4.75 4.75]
89 Ac fcc FCC(a=5.31) [3.75473701 3.75473701 3.75473701]
90 Th fcc FCC(a=5.08) [3.59210245 3.59210245 3.59210245]
bcc 14 LiNaKVCrFeRbNbMoCsBaEuTaW
hcp 25 BeMgScTiCoZnYZrTcRuCdLaPrNdGdTbDyHoErTmLuHfReOsTl
diamond 3 CSiGe
fcc 20 NeAlArCaNiCuKrSrRhPdAgXeCeYbIrPtAuPbAcTh
rhombohedral 5 AsSbSmHgBi
bct 2 InSn
PASSEDGlobal seed for "test/build_/test_build_bulk.py:test_build_bulk" was: 10371
build_/test_bulk.py::test_bulk PASSEDGlobal seed for "test/build_/test_bulk.py:test_bulk" was: 8218
build_/test_connected.py::test_split_biphenyl PASSEDGlobal seed for "test/build_/test_connected.py:test_split_biphenyl" was: 7525
build_/test_connected.py::test_connected_atoms PASSEDGlobal seed for "test/build_/test_connected.py:test_connected_atoms" was: 6516
build_/test_connected.py::test_separate_dimer PASSEDGlobal seed for "test/build_/test_connected.py:test_separate_dimer" was: 1985
build_/test_surface.py::test_surface PASSEDGlobal seed for "test/build_/test_surface.py:test_surface" was: 10519
build_/test_surface_stack.py::test_surface_stack OK bcc100 2
OK bcc110 2
OK bcc111 3
OK diamond100 4
OK diamond111 6
OK fcc100 2
OK fcc110 2
OK fcc111 3
OK hcp0001 2
OK hcp10m10 2
PASSEDGlobal seed for "test/build_/test_surface_stack.py:test_surface_stack" was: 1692
build_/test_surface_terminations.py::test_surface_terminations PASSEDGlobal seed for "test/build_/test_surface_terminations.py:test_surface_terminations" was: 8003
calculator/test_al.py::test_al[elk] SKIPPED (Not installed: elk)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_al_elk_0
Global seed for "test/calculator/test_al.py:test_al" was: 11180
calculator/test_al.py::test_al[openmx] SKIPPED (Not installed: openmx)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_al_openmx_0
Global seed for "test/calculator/test_al.py:test_al" was: 11180
calculator/test_al.py::test_al[abinit] SKIPPED (Not installed: abinit)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_al_abinit_0
Global seed for "test/calculator/test_al.py:test_al" was: 11180
calculator/test_al.py::test_al_old[aims] SKIPPED (use --calculators=...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_al_old_aims_0
Global seed for "test/calculator/test_al.py:test_al_old" was: 440
calculator/test_bond_polarizability.py::test_CC_bond PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_CC_bond0
Global seed for "test/calculator/test_bond_polarizability.py:test_CC_bond" was: 10070
calculator/test_bond_polarizability.py::test_symmetry PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_symmetry0
Global seed for "test/calculator/test_bond_polarizability.py:test_symmetry" was: 10334
calculator/test_bond_polarizability.py::test_2to3 PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_2to30
Global seed for "test/calculator/test_bond_polarizability.py:test_2to3" was: 3710
calculator/test_calculator.py::test_directory_and_label PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_directory_and_label0
Global seed for "test/calculator/test_calculator.py:test_directory_and_label" was: 632
calculator/test_calculator.py::test_deprecated_get_spin_polarized PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_deprecated_get_spin_polar0
Global seed for "test/calculator/test_calculator.py:test_deprecated_get_spin_polarized" was: 7475
calculator/test_ch4_energy.py::test_ch4[gamess_us] SKIPPED (use --ca...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ch4_gamess_us_0
Global seed for "test/calculator/test_ch4_energy.py:test_ch4" was: 1021
calculator/test_ch4_energy.py::test_ch4[gaussian] SKIPPED (use --cal...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ch4_gaussian_0
Global seed for "test/calculator/test_ch4_energy.py:test_ch4" was: 1021
calculator/test_ch4_energy.py::test_ch4_reaction[siesta] SKIPPED (No...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ch4_reaction_siesta_0
Global seed for "test/calculator/test_ch4_energy.py:test_ch4_reaction" was: 4698
calculator/test_ch4_energy.py::test_ch4_reaction[openmx] SKIPPED (No...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ch4_reaction_openmx_0
Global seed for "test/calculator/test_ch4_energy.py:test_ch4_reaction" was: 4698
calculator/test_ch4_energy.py::test_ch4_reaction[octopus] SKIPPED (N...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ch4_reaction_octopus_0
Global seed for "test/calculator/test_ch4_energy.py:test_ch4_reaction" was: 4698
calculator/test_ch4_energy.py::test_ch4_reaction[nwchem] SKIPPED (No...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ch4_reaction_nwchem_0
Global seed for "test/calculator/test_ch4_energy.py:test_ch4_reaction" was: 4698
calculator/test_ch4_energy.py::test_ch4_reaction[gpaw] SKIPPED (Not ...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ch4_reaction_gpaw_0
Global seed for "test/calculator/test_ch4_energy.py:test_ch4_reaction" was: 4698
calculator/test_ch4_energy.py::test_ch4_reaction[espresso] SKIPPED (...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ch4_reaction_espresso_0
Global seed for "test/calculator/test_ch4_energy.py:test_ch4_reaction" was: 4698
calculator/test_ch4_energy.py::test_ch4_reaction[cp2k] SKIPPED (Not ...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ch4_reaction_cp2k_0
Global seed for "test/calculator/test_ch4_energy.py:test_ch4_reaction" was: 4698
calculator/test_ch4_energy.py::test_ch4_reaction[aims] SKIPPED (Not ...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ch4_reaction_aims_0
Global seed for "test/calculator/test_ch4_energy.py:test_ch4_reaction" was: 4698
calculator/test_ch4_energy.py::test_ch4_reaction[abinit] SKIPPED (No...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ch4_reaction_abinit_0
Global seed for "test/calculator/test_ch4_energy.py:test_ch4_reaction" was: 4698
calculator/test_dftd3.py::test_forces[dftd3] SKIPPED (Not installed:...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_forces_dftd3_0
Global seed for "test/calculator/test_dftd3.py:test_forces" was: 1274
calculator/test_dftd3.py::test_d2_old[dftd3] SKIPPED (Not installed:...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_d2_old_dftd3_0
Global seed for "test/calculator/test_dftd3.py:test_d2_old" was: 7153
calculator/test_dftd3.py::test_d3_bj[dftd3] SKIPPED (Not installed: ...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_d3_bj_dftd3_0
Global seed for "test/calculator/test_dftd3.py:test_d3_bj" was: 3250
calculator/test_dftd3.py::test_d3_zerom[dftd3] SKIPPED (Not installe...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_d3_zerom_dftd3_0
Global seed for "test/calculator/test_dftd3.py:test_d3_zerom" was: 479
calculator/test_dftd3.py::test_d3_bjm[dftd3] SKIPPED (Not installed:...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_d3_bjm_dftd3_0
Global seed for "test/calculator/test_dftd3.py:test_d3_bjm" was: 7734
calculator/test_dftd3.py::test_alternative_tz[dftd3] SKIPPED (Not in...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_alternative_tz_dftd3_0
Global seed for "test/calculator/test_dftd3.py:test_alternative_tz" was: 7620
calculator/test_dftd3.py::test_d3_zero_abc[dftd3] SKIPPED (Not insta...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_d3_zero_abc_dftd3_0
Global seed for "test/calculator/test_dftd3.py:test_d3_zero_abc" was: 8816
calculator/test_dftd3.py::test_d3_zero_revpbe[dftd3] SKIPPED (Not in...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_d3_zero_revpbe_dftd3_0
Global seed for "test/calculator/test_dftd3.py:test_d3_zero_revpbe" was: 1079
calculator/test_dftd3.py::test_custom_damping[dftd3] SKIPPED (Not in...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_custom_damping_dftd3_0
Global seed for "test/calculator/test_dftd3.py:test_custom_damping" was: 7668
calculator/test_dftd3.py::test_d3_bj_abc[dftd3] SKIPPED (Not install...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_d3_bj_abc_dftd3_0
Global seed for "test/calculator/test_dftd3.py:test_d3_bj_abc" was: 4044
calculator/test_dftd3.py::test_d3_zerom_b3lyp[dftd3] SKIPPED (Not in...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_d3_zerom_b3lyp_dftd3_0
Global seed for "test/calculator/test_dftd3.py:test_d3_zerom_b3lyp" was: 8295
calculator/test_dftd3.py::test_diamond_stress[dftd3] SKIPPED (Not in...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_diamond_stress_dftd3_0
Global seed for "test/calculator/test_dftd3.py:test_diamond_stress" was: 4413
calculator/test_gulp.py::test_gulp SKIPPED (use --calculators=gulp t...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_gulp0
Global seed for "test/calculator/test_gulp.py:test_gulp" was: 7245
calculator/test_gulp_opt.py::test_gulp_opt SKIPPED (use --calculator...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_gulp_opt0
Global seed for "test/calculator/test_gulp_opt.py:test_gulp_opt" was: 9758
calculator/test_h2.py::test_h2dft_old[aims] SKIPPED (use --calculato...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2dft_old_aims_0
Global seed for "test/calculator/test_h2.py:test_h2dft_old" was: 966
calculator/test_h2.py::test_h2dft_old[gamess_us] SKIPPED (use --calc...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2dft_old_gamess_us_0
Global seed for "test/calculator/test_h2.py:test_h2dft_old" was: 966
calculator/test_h2.py::test_h2dft_old[gaussian] SKIPPED (use --calcu...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2dft_old_gaussian_0
Global seed for "test/calculator/test_h2.py:test_h2dft_old" was: 966
calculator/test_h2.py::test_h2dft[cp2k] SKIPPED (Not installed: cp2k)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2dft_cp2k_0
Global seed for "test/calculator/test_h2.py:test_h2dft" was: 4556
calculator/test_h2_bond_force.py::test_h2_bond[siesta] SKIPPED (Not ...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2_bond_siesta_0
Global seed for "test/calculator/test_h2_bond_force.py:test_h2_bond" was: 10994
calculator/test_h2_bond_force.py::test_h2_bond[nwchem] SKIPPED (Not ...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2_bond_nwchem_0
Global seed for "test/calculator/test_h2_bond_force.py:test_h2_bond" was: 10994
calculator/test_h2_bond_force.py::test_h2_bond[gpaw] SKIPPED (Not in...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2_bond_gpaw_0
Global seed for "test/calculator/test_h2_bond_force.py:test_h2_bond" was: 10994
calculator/test_h2_bond_force.py::test_h2_bond[espresso] SKIPPED (No...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2_bond_espresso_0
Global seed for "test/calculator/test_h2_bond_force.py:test_h2_bond" was: 10994
calculator/test_h2_bond_force.py::test_h2_bond[cp2k] SKIPPED (Not in...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2_bond_cp2k_0
Global seed for "test/calculator/test_h2_bond_force.py:test_h2_bond" was: 10994
calculator/test_h2_bond_force.py::test_h2_bond[abinit] SKIPPED (Not ...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2_bond_abinit_0
Global seed for "test/calculator/test_h2_bond_force.py:test_h2_bond" was: 10994
calculator/test_h2morse.py::test_gs_minimum PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_gs_minimum0
Global seed for "test/calculator/test_h2morse.py:test_gs_minimum" was: 4906
calculator/test_h2morse.py::test_gs_io_overlap PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_gs_io_overlap0
Global seed for "test/calculator/test_h2morse.py:test_gs_io_overlap" was: 9053
calculator/test_h2morse.py::test_excited_state PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_excited_state0
Global seed for "test/calculator/test_h2morse.py:test_excited_state" was: 4653
calculator/test_h2morse.py::test_excited_io PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_excited_io0
Global seed for "test/calculator/test_h2morse.py:test_excited_io" was: 11103
calculator/test_h2morse.py::test_traditional PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_traditional0
Global seed for "test/calculator/test_h2morse.py:test_traditional" was: 7862
calculator/test_lj.py::test_minimum_energy PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_minimum_energy0
Global seed for "test/calculator/test_lj.py:test_minimum_energy" was: 1711
calculator/test_lj.py::test_minimum_forces PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_minimum_forces0
Global seed for "test/calculator/test_lj.py:test_minimum_forces" was: 7501
calculator/test_lj.py::test_system_changes PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_system_changes0
Global seed for "test/calculator/test_lj.py:test_system_changes" was: 7796
calculator/test_lj.py::test_finite_difference PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_finite_difference0
Global seed for "test/calculator/test_lj.py:test_finite_difference" was: 9322
calculator/test_lj.py::test_bulk_energies PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_bulk_energies0
Global seed for "test/calculator/test_lj.py:test_bulk_energies" was: 7160
calculator/test_lj.py::test_bulk_forces PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_bulk_forces0
Global seed for "test/calculator/test_lj.py:test_bulk_forces" was: 4869
calculator/test_lj.py::test_bulk_stress PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_bulk_stress0
Global seed for "test/calculator/test_lj.py:test_bulk_stress" was: 8520
calculator/test_mopac.py::test_mopac SKIPPED (use --calculators=mopa...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_mopac0
Global seed for "test/calculator/test_mopac.py:test_mopac" was: 5941
calculator/test_morse.py::test_gs_minimum_energy PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_gs_minimum_energy0
Global seed for "test/calculator/test_morse.py:test_gs_minimum_energy" was: 7080
calculator/test_morse.py::test_gs_vibrations PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_gs_vibrations0
Global seed for "test/calculator/test_morse.py:test_gs_vibrations" was: 193
calculator/test_morse.py::test_cutoff PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_cutoff0
Global seed for "test/calculator/test_morse.py:test_cutoff" was: 11505
calculator/test_morse.py::test_forces PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_forces0
Global seed for "test/calculator/test_morse.py:test_forces" was: 490
calculator/test_orca.py::test_orca SKIPPED (use --calculators=orca t...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_orca0
Global seed for "test/calculator/test_orca.py:test_orca" was: 1960
calculator/test_orca_qmmm.py::test_orca_qmmm SKIPPED (use --calculat...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_orca_qmmm0
Global seed for "test/calculator/test_orca_qmmm.py:test_orca_qmmm" was: 5427
calculator/test_polarizability.py::test_shapes PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_shapes0
Global seed for "test/calculator/test_polarizability.py:test_shapes" was: 4617
calculator/test_si_stress.py::test_si_stress[siesta] SKIPPED (Not in...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_si_stress_siesta_0
Global seed for "test/calculator/test_si_stress.py:test_si_stress" was: 8536
calculator/test_si_stress.py::test_si_stress[espresso] SKIPPED (Not ...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_si_stress_espresso_0
Global seed for "test/calculator/test_si_stress.py:test_si_stress" was: 8536
calculator/test_si_stress.py::test_si_stress[abinit] SKIPPED (Not in...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_si_stress_abinit_0
Global seed for "test/calculator/test_si_stress.py:test_si_stress" was: 8536
calculator/test_si_stress.py::test_si_stress[gpaw] SKIPPED (Not inst...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_si_stress_gpaw_0
Global seed for "test/calculator/test_si_stress.py:test_si_stress" was: 8536
calculator/test_traj.py::test_h2_traj[vasp] SKIPPED (Not installed: ...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2_traj_vasp_0
Global seed for "test/calculator/test_traj.py:test_h2_traj" was: 9657
calculator/test_traj.py::test_h2_traj[abinit] SKIPPED (Not installed...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2_traj_abinit_0
Global seed for "test/calculator/test_traj.py:test_h2_traj" was: 9657
calculator/test_traj.py::test_h2_traj[cp2k] SKIPPED (Not installed: ...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2_traj_cp2k_0
Global seed for "test/calculator/test_traj.py:test_h2_traj" was: 9657
calculator/test_traj.py::test_h2_traj[emt] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2_traj_emt_0
Global seed for "test/calculator/test_traj.py:test_h2_traj" was: 9657
calculator/test_traj.py::test_h2_traj[gpaw] SKIPPED (Not installed: ...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2_traj_gpaw_0
Global seed for "test/calculator/test_traj.py:test_h2_traj" was: 9657
calculator/test_traj.py::test_h2_traj_old[Psi4] SKIPPED (use --calcu...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2_traj_old_Psi4_0
Global seed for "test/calculator/test_traj.py:test_h2_traj_old" was: 4003
calculator/test_traj.py::test_h2_traj_old[aims] SKIPPED (use --calcu...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2_traj_old_aims_0
Global seed for "test/calculator/test_traj.py:test_h2_traj_old" was: 4003
calculator/test_traj.py::test_h2_traj_old[crystal] SKIPPED (use --ca...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2_traj_old_crystal_0
Global seed for "test/calculator/test_traj.py:test_h2_traj_old" was: 4003
calculator/test_traj.py::test_h2_traj_old[gamess_us] SKIPPED (use --...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2_traj_old_gamess_us_0
Global seed for "test/calculator/test_traj.py:test_h2_traj_old" was: 4003
calculator/test_ts09.py::test_ts09 PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ts090
Global seed for "test/calculator/test_ts09.py:test_ts09" was: 6792
calculator/abinit/test_abinit_cmdline.py::test_abinit_cmdline SKIPPED
calculator/abinit/test_main.py::test_si[abinit0] SKIPPED (Not instal...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_si_abinit0_0
Global seed for "test/calculator/abinit/test_main.py:test_si" was: 11540
calculator/abinit/test_main.py::test_si[abinit1] SKIPPED (Not instal...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_si_abinit1_0
Global seed for "test/calculator/abinit/test_main.py:test_si" was: 11540
calculator/abinit/test_main.py::test_au[abinit-fhi] SKIPPED (Not ins...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_au_abinit_fhi_0
Global seed for "test/calculator/abinit/test_main.py:test_au" was: 6485
calculator/abinit/test_main.py::test_au[abinit-paw] SKIPPED (Not ins...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_au_abinit_paw_0
Global seed for "test/calculator/abinit/test_main.py:test_au" was: 6485
calculator/abinit/test_main.py::test_fe_fixed_magmom SKIPPED (Not in...)
calculator/abinit/test_main.py::test_fe_any_magmom SKIPPED (Not inst...)
calculator/abinit/test_main.py::test_h2o[abinit] SKIPPED (Not instal...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2o_abinit_0
Global seed for "test/calculator/abinit/test_main.py:test_h2o" was: 3064
calculator/abinit/test_main.py::test_o2[abinit] SKIPPED (Not install...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_o2_abinit_0
Global seed for "test/calculator/abinit/test_main.py:test_o2" was: 5943
calculator/abinit/test_main.py::test_manykpts[abinit] SKIPPED (expen...)
calculator/abinit/test_main.py::test_manyatoms[abinit] SKIPPED (expe...)
calculator/ace/test_ace.py::test_ace SKIPPED (use --calculators=ace ...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_ace0
Global seed for "test/calculator/ace/test_ace.py:test_ace" was: 5411
calculator/ace/test_ace_calculator.py::test_acemolecule_calculator SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_acemolecule_calculator0
Global seed for "test/calculator/ace/test_ace_calculator.py:test_acemolecule_calculator" was: 11137
calculator/aims/test_H2O_aims.py::test_H2O_aims[aims] SKIPPED (Not i...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_H2O_aims_aims_0
Global seed for "test/calculator/aims/test_H2O_aims.py:test_H2O_aims" was: 11986
calculator/aims/test_aims_interface.py::test_aims_interface SKIPPED
calculator/aims/test_aims_parser.py::test_parse_socketio PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_socketio0
Global seed for "test/calculator/aims/test_aims_parser.py:test_parse_socketio" was: 118
calculator/aims/test_aims_parser.py::test_run PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_run0
Global seed for "test/calculator/aims/test_aims_parser.py:test_run" was: 1212
calculator/aims/test_version.py::test_get_aims_version PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_get_aims_version0
Global seed for "test/calculator/aims/test_version.py:test_get_aims_version" was: 2898
calculator/amber/test_amber.py::test_amber SKIPPED (Use --calculator...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_amber0
Global seed for "test/calculator/amber/test_amber.py:test_amber" was: 369
calculator/castep/test_castep_interface.py::test_fundamental_params PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_fundamental_params0
Global seed for "test/calculator/castep/test_castep_interface.py:test_fundamental_params" was: 9126
calculator/castep/test_castep_interface.py::test_castep_option PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_castep_option0
Global seed for "test/calculator/castep/test_castep_interface.py:test_castep_option" was: 7367
calculator/castep/test_castep_interface.py::test_castep_cell PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_castep_cell0
Global seed for "test/calculator/castep/test_castep_interface.py:test_castep_cell" was: 8701
calculator/castep/test_castep_interface.py::test_castep_param PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_castep_param0
Global seed for "test/calculator/castep/test_castep_interface.py:test_castep_param" was: 3608
calculator/castep/test_castep_interface.py::test_workflow PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_workflow0
Global seed for "test/calculator/castep/test_castep_interface.py:test_workflow" was: 11537
calculator/castep/test_castep_interface.py::test_set_kpoints PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_set_kpoints0
Global seed for "test/calculator/castep/test_castep_interface.py:test_set_kpoints" was: 10026
calculator/castep/test_castep_interface.py::test_band_structure_setup PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_band_structure_setup0
Global seed for "test/calculator/castep/test_castep_interface.py:test_band_structure_setup" was: 3218
calculator/cp2k/test_cp2k_H2_None.py::test_h2_none SKIPPED (Not inst...)
calculator/cp2k/test_cp2k_dcd.py::test_dcd[cp2k] SKIPPED (Not instal...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_dcd_cp2k_0
Global seed for "test/calculator/cp2k/test_cp2k_dcd.py:test_dcd" was: 7610
calculator/cp2k/test_cp2k_many.py::test_geoopt SKIPPED (Not installe...)
calculator/cp2k/test_cp2k_many.py::test_h2_lda SKIPPED (Not installe...)
calculator/cp2k/test_cp2k_many.py::test_h2_libxc SKIPPED (Not instal...)
calculator/cp2k/test_cp2k_many.py::test_h2_ls SKIPPED (Not installed...)
calculator/cp2k/test_cp2k_many.py::test_h2_pbe SKIPPED (Not installe...)
calculator/cp2k/test_cp2k_many.py::test_md SKIPPED (Not installed: cp2k)
calculator/cp2k/test_cp2k_many.py::test_o2 SKIPPED (Not installed: cp2k)
calculator/cp2k/test_cp2k_many.py::test_restart SKIPPED (Not install...)
calculator/cp2k/test_cp2k_many.py::test_unknown_keywords SKIPPED (No...)
calculator/cp2k/test_cp2k_restart.py::test_restart PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_restart0
Global seed for "test/calculator/cp2k/test_cp2k_restart.py:test_restart" was: 2702
calculator/cp2k/test_cp2k_stress.py::test_cp2k_stress SKIPPED (Not i...)
calculator/crystal/test_bulk.py::test_bulk SKIPPED (use --calculator...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_bulk0
Global seed for "test/calculator/crystal/test_bulk.py:test_bulk" was: 2837
calculator/crystal/test_graphene.py::test_graphene SKIPPED (use --ca...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_graphene0
Global seed for "test/calculator/crystal/test_graphene.py:test_graphene" was: 2202
calculator/crystal/test_molecule.py::test_molecule SKIPPED (use --ca...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_molecule0
Global seed for "test/calculator/crystal/test_molecule.py:test_molecule" was: 5389
calculator/demon/test_h2o.py::test_h2o SKIPPED (use --calculators=de...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2o0
Global seed for "test/calculator/demon/test_h2o.py:test_h2o" was: 4043
calculator/demon/test_h2o_xas_xes.py::test_h2o_xas_xes SKIPPED (use ...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2o_xas_xes0
Global seed for "test/calculator/demon/test_h2o_xas_xes.py:test_h2o_xas_xes" was: 11306
calculator/demonnano/test_h2o.py::test_h2o SKIPPED (use --calculator...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2o1
Global seed for "test/calculator/demonnano/test_h2o.py:test_h2o" was: 5156
calculator/dftb/test_dftb_relax_bulk.py::test_dftb_relax_bulk SKIPPED
calculator/dftb/test_dftb_relax_dimer.py::test_dftb_relax_dimer[dftb] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_dftb_relax_dimer_dftb_0
Global seed for "test/calculator/dftb/test_dftb_relax_dimer.py:test_dftb_relax_dimer" was: 5125
calculator/dftb/test_dftb_relax_surface.py::test_dftb_relax_surface[dftb] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_dftb_relax_surface_dftb_0
Global seed for "test/calculator/dftb/test_dftb_relax_surface.py:test_dftb_relax_surface" was: 847
calculator/dftb/test_dipole.py::test_H2O[dftb] SKIPPED (Not installe...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_H2O_dftb_0
Global seed for "test/calculator/dftb/test_dipole.py:test_H2O" was: 7266
calculator/dmol/test_Al_dmol.py::test_Al_dmol SKIPPED (use --calcula...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_Al_dmol0
Global seed for "test/calculator/dmol/test_Al_dmol.py:test_Al_dmol" was: 3190
calculator/dmol/test_water_dmol.py::test_water_dmol SKIPPED (use --c...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_water_dmol0
Global seed for "test/calculator/dmol/test_water_dmol.py:test_water_dmol" was: 936
calculator/elk/test_elk.py::test_elk_bulk[elk-Si2] SKIPPED (Not inst...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_elk_bulk_elk_Si2_0
Global seed for "test/calculator/elk/test_elk.py:test_elk_bulk" was: 11604
calculator/elk/test_elk.py::test_elk_bulk[elk-Fe] SKIPPED (Not insta...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_elk_bulk_elk_Fe_0
Global seed for "test/calculator/elk/test_elk.py:test_elk_bulk" was: 11604
calculator/espresso/test_espresso.py::test_main SKIPPED (Not install...)
calculator/espresso/test_espresso.py::test_smearing SKIPPED (Not ins...)
calculator/exciting/test_exciting.py::test_exciting_bulk[exciting] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_exciting_bulk_exciting_0
Global seed for "test/calculator/exciting/test_exciting.py:test_exciting_bulk" was: 10650
calculator/fleur/test_fleur_cmdline.py::test_fleur_cmdline SKIPPED (...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_fleur_cmdline0
Global seed for "test/calculator/fleur/test_fleur_cmdline.py:test_fleur_cmdline" was: 1241
calculator/gamess_us/test_basis_ecp.py::test_gamess_us_basis_ecp SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_gamess_us_basis_ecp0
Global seed for "test/calculator/gamess_us/test_basis_ecp.py:test_gamess_us_basis_ecp" was: 6588
calculator/gamess_us/test_gamess_us.py::test_gamess[kwargs0--2056.7877424926373-True] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_gamess_kwargs0__2056_78770
Global seed for "test/calculator/gamess_us/test_gamess_us.py:test_gamess" was: 3651
calculator/gamess_us/test_gamess_us.py::test_gamess[kwargs1--2064.9141313969094-True] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_gamess_kwargs1__2064_91410
Global seed for "test/calculator/gamess_us/test_gamess_us.py:test_gamess" was: 3651
calculator/gamess_us/test_gamess_us.py::test_gamess[kwargs2--2064.9141313969094-True] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_gamess_kwargs2__2064_91410
Global seed for "test/calculator/gamess_us/test_gamess_us.py:test_gamess" was: 3651
calculator/gamess_us/test_gamess_us.py::test_gamess[kwargs3--2060.091817423073-True] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_gamess_kwargs3__2060_09180
Global seed for "test/calculator/gamess_us/test_gamess_us.py:test_gamess" was: 3651
calculator/gamess_us/test_gamess_us.py::test_gamess[kwargs4--2060.3341175255055-False] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_gamess_kwargs4__2060_33410
Global seed for "test/calculator/gamess_us/test_gamess_us.py:test_gamess" was: 3651
calculator/gaussian/test_gaussian_cmdline.py::test_gaussian_cmdline SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_gaussian_cmdline0
Global seed for "test/calculator/gaussian/test_gaussian_cmdline.py:test_gaussian_cmdline" was: 6046
calculator/gaussian/test_h2of.py::test_h2of SKIPPED (use --calculato...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2of0
Global seed for "test/calculator/gaussian/test_h2of.py:test_h2of" was: 1792
calculator/gaussian/test_optimizer_irc.py::test_optimizer SKIPPED (u...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_optimizer0
Global seed for "test/calculator/gaussian/test_optimizer_irc.py:test_optimizer" was: 660
calculator/gaussian/test_optimizer_irc.py::test_irc SKIPPED (use --c...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_irc0
Global seed for "test/calculator/gaussian/test_optimizer_irc.py:test_irc" was: 5820
calculator/gaussian/test_water.py::test_water SKIPPED (use --calcula...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_water0
Global seed for "test/calculator/gaussian/test_water.py:test_water" was: 6409
calculator/gpaw_/test_no_spin_and_spin.py::test_no_spin_and_spin[gpaw] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_no_spin_and_spin_gpaw_0
Global seed for "test/calculator/gpaw_/test_no_spin_and_spin.py:test_no_spin_and_spin" was: 10645
calculator/gpaw_/test_read_text_output.py::test_read_gpaw_out PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_gpaw_out0
Global seed for "test/calculator/gpaw_/test_read_text_output.py:test_read_gpaw_out" was: 7199
calculator/gromacs/test_gromacs.py::test_parse_gromacs_version PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_gromacs_version0
Global seed for "test/calculator/gromacs/test_gromacs.py:test_parse_gromacs_version" was: 785
calculator/gromacs/test_gromacs.py::test_get_gromacs_version[gromacs] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_get_gromacs_version_groma0
Global seed for "test/calculator/gromacs/test_gromacs.py:test_get_gromacs_version" was: 9868
calculator/gromacs/test_gromacs.py::test_gromacs[gromacs] SKIPPED (N...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_gromacs_gromacs_0
Global seed for "test/calculator/gromacs/test_gromacs.py:test_gromacs" was: 4965
calculator/kim/test_cutoff_skin.py::test_cutoff_skin SKIPPED (could ...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_cutoff_skin0
Global seed for "test/calculator/kim/test_cutoff_skin.py:test_cutoff_skin" was: 3909
calculator/kim/test_energy_forces_stress.py::test_energy_forces_stress SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_energy_forces_stress0
Global seed for "test/calculator/kim/test_energy_forces_stress.py:test_energy_forces_stress" was: 7964
calculator/kim/test_multi_neighlist.py::test_multi_neighlist SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_multi_neighlist0
Global seed for "test/calculator/kim/test_multi_neighlist.py:test_multi_neighlist" was: 6647
calculator/kim/test_relax.py::test_relax SKIPPED (could not import '...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_relax0
Global seed for "test/calculator/kim/test_relax.py:test_relax" was: 2500
calculator/kim/test_update_coords.py::test_update_coords SKIPPED (co...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_update_coords0
Global seed for "test/calculator/kim/test_update_coords.py:test_update_coords" was: 8196
calculator/lammpslib/test_lammpslib_change_cell_bcs.py::test_lammpslib_change_cell_bcs[lammpslib] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpslib_change_cell_bcs0
Global seed for "test/calculator/lammpslib/test_lammpslib_change_cell_bcs.py:test_lammpslib_change_cell_bcs" was: 9554
calculator/lammpslib/test_lammpslib_interface.py::test_lammpslib_interface PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpslib_interface0
Global seed for "test/calculator/lammpslib/test_lammpslib_interface.py:test_lammpslib_interface" was: 4120
calculator/lammpslib/test_lammpslib_neighlist_bug.py::test_lammps_neighlist_buf[lammpslib] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammps_neighlist_buf_lamm0
Global seed for "test/calculator/lammpslib/test_lammpslib_neighlist_bug.py:test_lammps_neighlist_buf" was: 8148
calculator/lammpslib/test_lammpslib_post_changebox_cmds.py::test_change_cell_dimensions_and_pbc[lammpslib] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_change_cell_dimensions_an0
Global seed for "test/calculator/lammpslib/test_lammpslib_post_changebox_cmds.py:test_change_cell_dimensions_and_pbc" was: 4889
calculator/lammpslib/test_lammpslib_simple.py::test_lammpslib_simple[lammpslib] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpslib_simple_lammpsli0
Global seed for "test/calculator/lammpslib/test_lammpslib_simple.py:test_lammpslib_simple" was: 5712
calculator/lammpslib/test_lammpslib_small_nonperiodic.py::test_lammpslib_small_nonperiodic[lammpslib] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpslib_small_nonperiod0
Global seed for "test/calculator/lammpslib/test_lammpslib_small_nonperiodic.py:test_lammpslib_small_nonperiodic" was: 4359
calculator/lammpsrun/test_Ar_minimize.py::test_Ar_minimize[lammpsrun] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_Ar_minimize_lammpsrun_0
Global seed for "test/calculator/lammpsrun/test_Ar_minimize.py:test_Ar_minimize" was: 4655
calculator/lammpsrun/test_Ar_minimize.py::test_Ar_minimize_multistep[lammpsrun] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_Ar_minimize_multistep_lam0
Global seed for "test/calculator/lammpsrun/test_Ar_minimize.py:test_Ar_minimize_multistep" was: 3934
calculator/lammpsrun/test_NaCl_minimize.py::test_NaCl_minimize[lammpsrun] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_NaCl_minimize_lammpsrun_0
Global seed for "test/calculator/lammpsrun/test_NaCl_minimize.py:test_NaCl_minimize" was: 4054
calculator/lammpsrun/test_Pt_md_constraints_multistep.py::test_Pt_md_constraints_multistep[lammpsrun] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_Pt_md_constraints_multist0
Global seed for "test/calculator/lammpsrun/test_Pt_md_constraints_multistep.py:test_Pt_md_constraints_multistep" was: 3206
calculator/lammpsrun/test_Pt_stress_cellopt.py::test_Pt_stress_cellopt[lammpsrun] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_Pt_stress_cellopt_lammpsr0
Global seed for "test/calculator/lammpsrun/test_Pt_stress_cellopt.py:test_Pt_stress_cellopt" was: 9233
calculator/lammpsrun/test_no_data_file_wrap.py::test_no_data_file_wrap[lammpsrun] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_no_data_file_wrap_lammpsr0
Global seed for "test/calculator/lammpsrun/test_no_data_file_wrap.py:test_no_data_file_wrap" was: 9325
calculator/nwchem/test_nwchem_bands.py::test_bands[nwchem] SKIPPED (...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_bands_nwchem_0
Global seed for "test/calculator/nwchem/test_nwchem_bands.py:test_bands" was: 7631
calculator/nwchem/test_nwchem_broken_symmetry.py::test_main[nwchem] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_main_nwchem_0
Global seed for "test/calculator/nwchem/test_nwchem_broken_symmetry.py:test_main" was: 9078
calculator/nwchem/test_nwchem_cmdline.py::test_cmdline SKIPPED (CLI ...)
calculator/nwchem/test_nwchem_eigenvalues.py::test_nwchem_eigenvalues[nwchem--1--24.036791014064605] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_nwchem_eigenvalues_nwchem0
Global seed for "test/calculator/nwchem/test_nwchem_eigenvalues.py:test_nwchem_eigenvalues" was: 5782
calculator/nwchem/test_nwchem_eigenvalues.py::test_nwchem_eigenvalues[nwchem-1--14.365500960943171] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_nwchem_eigenvalues_nwchem1
Global seed for "test/calculator/nwchem/test_nwchem_eigenvalues.py:test_nwchem_eigenvalues" was: 5782
calculator/nwchem/test_nwchem_h3o2m.py::test_h3o2m[nwchem] SKIPPED (...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h3o2m_nwchem_0
Global seed for "test/calculator/nwchem/test_nwchem_h3o2m.py:test_h3o2m" was: 4262
calculator/nwchem/test_nwchem_parser.py::test_parser PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_parser0
Global seed for "test/calculator/nwchem/test_nwchem_parser.py:test_parser" was: 6135
calculator/nwchem/test_nwchem_runmany.py::test_nwchem[nwchem-dft--2051.9802410863354-True-False-kwargs0] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_nwchem_nwchem_dft__2051_90
Global seed for "test/calculator/nwchem/test_nwchem_runmany.py:test_nwchem" was: 5436
calculator/nwchem/test_nwchem_runmany.py::test_nwchem[nwchem-scf--2056.7877421222634-True-False-kwargs1] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_nwchem_nwchem_scf__2056_70
Global seed for "test/calculator/nwchem/test_nwchem_runmany.py:test_nwchem" was: 5436
calculator/nwchem/test_nwchem_runmany.py::test_nwchem[nwchem-mp2--2060.1413846247333-True-False-kwargs2] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_nwchem_nwchem_mp2__2060_10
Global seed for "test/calculator/nwchem/test_nwchem_runmany.py:test_nwchem" was: 5436
calculator/nwchem/test_nwchem_runmany.py::test_nwchem[nwchem-ccsd--2060.3418911515882-False-False-kwargs3] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_nwchem_nwchem_ccsd__2060_0
Global seed for "test/calculator/nwchem/test_nwchem_runmany.py:test_nwchem" was: 5436
calculator/nwchem/test_nwchem_runmany.py::test_nwchem[nwchem-tce--2060.319141863451-False-False-kwargs4] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_nwchem_nwchem_tce__2060_30
Global seed for "test/calculator/nwchem/test_nwchem_runmany.py:test_nwchem" was: 5436
calculator/nwchem/test_nwchem_runmany.py::test_nwchem[nwchem-tddft--2044.3908422254976-True-False-kwargs5] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_nwchem_nwchem_tddft__20440
Global seed for "test/calculator/nwchem/test_nwchem_runmany.py:test_nwchem" was: 5436
calculator/nwchem/test_nwchem_runmany.py::test_nwchem[nwchem-pspw--465.1290581383751-False-True-kwargs6] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_nwchem_nwchem_pspw__465_10
Global seed for "test/calculator/nwchem/test_nwchem_runmany.py:test_nwchem" was: 5436
calculator/nwchem/test_nwchem_runmany.py::test_nwchem[nwchem-band--465.1290611316276-False-True-kwargs7] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_nwchem_nwchem_band__465_10
Global seed for "test/calculator/nwchem/test_nwchem_runmany.py:test_nwchem" was: 5436
calculator/nwchem/test_nwchem_runmany.py::test_nwchem[nwchem-paw--2065.6600649367365-False-True-kwargs8] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_nwchem_nwchem_paw__2065_60
Global seed for "test/calculator/nwchem/test_nwchem_runmany.py:test_nwchem" was: 5436
calculator/nwchem/test_nwchem_spin_symmetry.py::test_main[nwchem] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_main_nwchem_1
Global seed for "test/calculator/nwchem/test_nwchem_spin_symmetry.py:test_main" was: 6082
calculator/nwchem/test_nwchem_stress.py::test_main[nwchem] SKIPPED (...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_main_nwchem_2
Global seed for "test/calculator/nwchem/test_nwchem_stress.py:test_main" was: 3171
calculator/octopus/test_big.py::test_h2o[octopus] SKIPPED (Not insta...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_h2o_octopus_0
Global seed for "test/calculator/octopus/test_big.py:test_h2o" was: 7605
calculator/octopus/test_big.py::test_o2[octopus] SKIPPED (Not instal...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_o2_octopus_0
Global seed for "test/calculator/octopus/test_big.py:test_o2" was: 549
calculator/octopus/test_big.py::test_si[octopus] SKIPPED (Not instal...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_si_octopus_0
Global seed for "test/calculator/octopus/test_big.py:test_si" was: 6146
calculator/onetep/test_onetep.py::test_onetep SKIPPED (use --calcula...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_onetep0
Global seed for "test/calculator/onetep/test_onetep.py:test_onetep" was: 9731
calculator/psi4/test_psi4_HF_3_21G.py::test_main SKIPPED (use --calc...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_main0
Global seed for "test/calculator/psi4/test_psi4_HF_3_21G.py:test_main" was: 4020
calculator/qchem/test_qchem_calculator.py::test_qchem_calculator SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_qchem_calculator0
Global seed for "test/calculator/qchem/test_qchem_calculator.py:test_qchem_calculator" was: 5828
calculator/siesta/test_bands.py::test_bands SKIPPED (Not installed: ...)
calculator/siesta/test_fdf_io.py::test_fdf_io SKIPPED (Not installed...)
calculator/siesta/test_siesta.py::test_siesta SKIPPED (Not installed...)
calculator/siesta/test_siesta_read_eigenvalues.py::test_siesta_read_eigenvalues SKIPPED
calculator/siesta/test_siesta_version.py::test_siesta_version siesta-2.0.1
siesta-3.0-b
siesta-3.0-rc2
siesta-3.1
siesta-3.2-pl-5
siesta-4.0--500
v4.0.2
siesta-4.1--736
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_siesta_version0
Global seed for "test/calculator/siesta/test_siesta_version.py:test_siesta_version" was: 4284
calculator/siesta/test_siesta_zmat.py::test_siesta_zmat SKIPPED (Not...)
calculator/siesta/lrtddft/test_siesta_lrtddft.py::test_siesta_lrtddft SKIPPED
calculator/siesta/lrtddft/test_siesta_raman.py::test_N2 SKIPPED (Not...)
calculator/socketio/test_integration.py::test_socketio_espresso[abinit] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_socketio_espresso_abinit_0
Global seed for "test/calculator/socketio/test_integration.py:test_socketio_espresso" was: 10861
calculator/socketio/test_integration.py::test_socketio_espresso[espresso] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_socketio_espresso_espress0
Global seed for "test/calculator/socketio/test_integration.py:test_socketio_espresso" was: 10861
calculator/socketio/test_ipi_protocol_bfgs.py::test_ipi_protocol[inet] Accepting clients on INET port 17858
Awaiting client
Accepted connection from ('127.0.0.1', 47974)
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'READY'
Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1320 bytes of <class 'numpy.float64'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'HAVEDATA'
Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1 bytes of <class 'numpy.int8'>
      Step     Time          Energy         fmax
BFGS:    0 09:18:46       29.295824        2.3848
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'NEEDINIT'
Driver:  sendinit
Driver:   sendmsg 'INIT'
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1 bytes of <class 'numpy.int8'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'READY'
Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1320 bytes of <class 'numpy.float64'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'HAVEDATA'
Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1 bytes of <class 'numpy.int8'>
BFGS:    1 09:18:46       27.370409        2.2577
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'NEEDINIT'
Driver:  sendinit
Driver:   sendmsg 'INIT'
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1 bytes of <class 'numpy.int8'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'READY'
Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1320 bytes of <class 'numpy.float64'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'HAVEDATA'
Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1 bytes of <class 'numpy.int8'>
BFGS:    2 09:18:46       20.372619        0.9527
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'NEEDINIT'
Driver:  sendinit
Driver:   sendmsg 'INIT'
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1 bytes of <class 'numpy.int8'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'READY'
Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1320 bytes of <class 'numpy.float64'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'HAVEDATA'
Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1 bytes of <class 'numpy.int8'>
BFGS:    3 09:18:46       20.009418        1.5399
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'NEEDINIT'
Driver:  sendinit
Driver:   sendmsg 'INIT'
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1 bytes of <class 'numpy.int8'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'READY'
Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1320 bytes of <class 'numpy.float64'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'HAVEDATA'
Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1 bytes of <class 'numpy.int8'>
BFGS:    4 09:18:46       19.399865        1.5086
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'NEEDINIT'
Driver:  sendinit
Driver:   sendmsg 'INIT'
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1 bytes of <class 'numpy.int8'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'READY'
Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1320 bytes of <class 'numpy.float64'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'HAVEDATA'
Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1 bytes of <class 'numpy.int8'>
BFGS:    5 09:18:46       17.497211        0.2350
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'NEEDINIT'
Driver:  sendinit
Driver:   sendmsg 'INIT'
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1 bytes of <class 'numpy.int8'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'READY'
Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1320 bytes of <class 'numpy.float64'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'HAVEDATA'
Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1 bytes of <class 'numpy.int8'>
BFGS:    6 09:18:46       17.436558        0.1283
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'NEEDINIT'
Driver:  sendinit
Driver:   sendmsg 'INIT'
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1 bytes of <class 'numpy.int8'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'READY'
Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1320 bytes of <class 'numpy.float64'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'HAVEDATA'
Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1 bytes of <class 'numpy.int8'>
BFGS:    7 09:18:46       17.423926        0.1393
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'NEEDINIT'
Driver:  sendinit
Driver:   sendmsg 'INIT'
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1 bytes of <class 'numpy.int8'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'READY'
Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1320 bytes of <class 'numpy.float64'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'HAVEDATA'
Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1 bytes of <class 'numpy.int8'>
BFGS:    8 09:18:46       17.416693        0.1311
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'NEEDINIT'
Driver:  sendinit
Driver:   sendmsg 'INIT'
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1 bytes of <class 'numpy.int8'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'READY'
Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1320 bytes of <class 'numpy.float64'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'HAVEDATA'
Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1 bytes of <class 'numpy.int8'>
BFGS:    9 09:18:47       17.400144        0.0351
Close socket server
      Step     Time          Energy         fmax
BFGS:    0 09:18:47       29.295824        2.3848
BFGS:    1 09:18:47       27.370409        2.2577
BFGS:    2 09:18:47       20.372619        0.9527
BFGS:    3 09:18:47       20.009418        1.5399
BFGS:    4 09:18:47       19.399865        1.5086
BFGS:    5 09:18:47       17.497211        0.2350
BFGS:    6 09:18:47       17.436558        0.1283
BFGS:    7 09:18:47       17.423926        0.1393
BFGS:    8 09:18:47       17.416693        0.1311
BFGS:    9 09:18:47       17.400144        0.0351
errs e=5.755396159656812e-13 f=1.9949319973733282e-14 pos=1.3322676295501878e-14
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ipi_protocol_inet_0
Global seed for "test/calculator/socketio/test_ipi_protocol_bfgs.py:test_ipi_protocol" was: 6161
calculator/socketio/test_ipi_protocol_bfgs.py::test_ipi_protocol[unix] Accepting clients on UNIX-socket /tmp/ipi_ase_ipi_protocol_bfgs_test_14717
Awaiting client
Accepted connection from 
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'READY'
Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1320 bytes of <class 'numpy.float64'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'HAVEDATA'
Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1 bytes of <class 'numpy.int8'>
      Step     Time          Energy         fmax
BFGS:    0 09:18:47       29.295824        2.3848
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'NEEDINIT'
Driver:  sendinit
Driver:   sendmsg 'INIT'
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1 bytes of <class 'numpy.int8'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'READY'
Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1320 bytes of <class 'numpy.float64'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'HAVEDATA'
Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1 bytes of <class 'numpy.int8'>
BFGS:    1 09:18:47       27.370409        2.2577
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'NEEDINIT'
Driver:  sendinit
Driver:   sendmsg 'INIT'
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1 bytes of <class 'numpy.int8'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'READY'
Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1320 bytes of <class 'numpy.float64'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'HAVEDATA'
Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1 bytes of <class 'numpy.int8'>
BFGS:    2 09:18:47       20.372619        0.9527
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'NEEDINIT'
Driver:  sendinit
Driver:   sendmsg 'INIT'
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1 bytes of <class 'numpy.int8'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'READY'
Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1320 bytes of <class 'numpy.float64'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'HAVEDATA'
Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1 bytes of <class 'numpy.int8'>
BFGS:    3 09:18:47       20.009418        1.5399
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'NEEDINIT'
Driver:  sendinit
Driver:   sendmsg 'INIT'
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1 bytes of <class 'numpy.int8'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'READY'
Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1320 bytes of <class 'numpy.float64'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'HAVEDATA'
Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1 bytes of <class 'numpy.int8'>
BFGS:    4 09:18:47       19.399865        1.5086
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'NEEDINIT'
Driver:  sendinit
Driver:   sendmsg 'INIT'
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1 bytes of <class 'numpy.int8'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'READY'
Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1320 bytes of <class 'numpy.float64'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'HAVEDATA'
Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1 bytes of <class 'numpy.int8'>
BFGS:    5 09:18:47       17.497211        0.2350
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'NEEDINIT'
Driver:  sendinit
Driver:   sendmsg 'INIT'
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1 bytes of <class 'numpy.int8'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'READY'
Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1320 bytes of <class 'numpy.float64'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'HAVEDATA'
Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1 bytes of <class 'numpy.int8'>
BFGS:    6 09:18:47       17.436558        0.1283
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'NEEDINIT'
Driver:  sendinit
Driver:   sendmsg 'INIT'
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1 bytes of <class 'numpy.int8'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'READY'
Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1320 bytes of <class 'numpy.float64'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'HAVEDATA'
Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1 bytes of <class 'numpy.int8'>
BFGS:    7 09:18:47       17.423926        0.1393
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'NEEDINIT'
Driver:  sendinit
Driver:   sendmsg 'INIT'
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1 bytes of <class 'numpy.int8'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'READY'
Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1320 bytes of <class 'numpy.float64'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'HAVEDATA'
Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1 bytes of <class 'numpy.int8'>
BFGS:    8 09:18:47       17.416693        0.1311
Driver: calculate
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'NEEDINIT'
Driver:  sendinit
Driver:   sendmsg 'INIT'
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1 bytes of <class 'numpy.int8'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'READY'
Driver:  sendposdata
Driver:   sendmsg 'POSDATA'
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 72 bytes of <class 'numpy.float64'>
Driver:   send 4 bytes of <class 'numpy.int32'>
Driver:   send 1320 bytes of <class 'numpy.float64'>
Driver:  status
Driver:   sendmsg 'STATUS'
Driver:   recvmsg 'HAVEDATA'
Driver:  sendrecv_force
Driver:   sendmsg 'GETFORCE'
Driver:   recvmsg 'FORCEREADY'
Driver:   recv 8 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1320 bytes of <class 'numpy.float64'>
Driver:   recv 72 bytes of <class 'numpy.float64'>
Driver:   recv 4 bytes of <class 'numpy.int32'>
Driver:   recv 1 bytes of <class 'numpy.int8'>
BFGS:    9 09:18:47       17.400144        0.0351
Close socket server
      Step     Time          Energy         fmax
BFGS:    0 09:18:47       29.295824        2.3848
BFGS:    1 09:18:47       27.370409        2.2577
BFGS:    2 09:18:47       20.372619        0.9527
BFGS:    3 09:18:48       20.009418        1.5399
BFGS:    4 09:18:48       19.399865        1.5086
BFGS:    5 09:18:48       17.497211        0.2350
BFGS:    6 09:18:48       17.436558        0.1283
BFGS:    7 09:18:48       17.423926        0.1393
BFGS:    8 09:18:48       17.416693        0.1311
BFGS:    9 09:18:48       17.400144        0.0351
errs e=5.755396159656812e-13 f=1.9949319973733282e-14 pos=1.3322676295501878e-14
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ipi_protocol_unix_0
Global seed for "test/calculator/socketio/test_ipi_protocol_bfgs.py:test_ipi_protocol" was: 6161
calculator/socketio/test_python_interface.py::test_socketio_python       Step     Time          Energy         fmax
BFGS:    0 09:18:48        0.147981        3.5998
BFGS:    1 09:18:48        1.345326       21.8748
BFGS:    2 09:18:48        0.085645        0.6965
BFGS:    3 09:18:48        0.071654        0.4322
BFGS:    4 09:18:48        0.033819        1.3577
BFGS:    5 09:18:48        0.025498        0.8420
BFGS:    6 09:18:48        0.018196        0.1921
BFGS:    7 09:18:48        0.015783        0.3260
BFGS:    8 09:18:48        0.008848        0.6099
BFGS:    9 09:18:48        0.003946        0.5278
BFGS:   10 09:18:48        0.001217        0.2151
BFGS:   11 09:18:48        0.000455        0.0770
BFGS:   12 09:18:48        0.000098        0.0873
BFGS:   13 09:18:48       -0.000243        0.1170
BFGS:   14 09:18:48       -0.000630        0.0888
BFGS:   15 09:18:49       -0.000918        0.0848
BFGS:   16 09:18:49       -0.001039        0.0590
BFGS:   17 09:18:49       -0.001068        0.0194
BFGS:   18 09:18:49       -0.001073        0.0069
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_socketio_python0
Global seed for "test/calculator/socketio/test_python_interface.py:test_socketio_python" was: 8510
calculator/turbomole/test_turbomole_2h2o.py::test_turbomole_2h2o SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_turbomole_2h2o0
Global seed for "test/calculator/turbomole/test_turbomole_2h2o.py:test_turbomole_2h2o" was: 11086
calculator/turbomole/test_turbomole_H2.py::test_turbomole_H2 SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_turbomole_H20
Global seed for "test/calculator/turbomole/test_turbomole_H2.py:test_turbomole_H2" was: 1428
calculator/turbomole/test_turbomole_H2.py::test_turbomole_H2_uhf_singlet SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_turbomole_H2_uhf_singlet0
Global seed for "test/calculator/turbomole/test_turbomole_H2.py:test_turbomole_H2_uhf_singlet" was: 6268
calculator/turbomole/test_turbomole_au13.py::test_turbomole_au13 SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_turbomole_au130
Global seed for "test/calculator/turbomole/test_turbomole_au13.py:test_turbomole_au13" was: 8286
calculator/turbomole/test_turbomole_h2o.py::test_turbomole_h2o SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_turbomole_h2o0
Global seed for "test/calculator/turbomole/test_turbomole_h2o.py:test_turbomole_h2o" was: 10563
calculator/turbomole/test_turbomole_h3o2m.py::test_turbomole_h3o2m SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_turbomole_h3o2m0
Global seed for "test/calculator/turbomole/test_turbomole_h3o2m.py:test_turbomole_h3o2m" was: 1655
calculator/turbomole/test_turbomole_optimizer.py::test_turbomole_optimizer SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_turbomole_optimizer0
Global seed for "test/calculator/turbomole/test_turbomole_optimizer.py:test_turbomole_optimizer" was: 7697
calculator/turbomole/test_turbomole_qmmm.py::test_turbomole_qmmm SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_turbomole_qmmm0
Global seed for "test/calculator/turbomole/test_turbomole_qmmm.py:test_turbomole_qmmm" was: 11407
calculator/vasp/test_vasp_Al_volrelax.py::test_vasp_Al_volrelax[vasp] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_Al_volrelax_vasp_0
Global seed for "test/calculator/vasp/test_vasp_Al_volrelax.py:test_vasp_Al_volrelax" was: 8080
calculator/vasp/test_vasp_calculator.py::test_verify_no_run PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_verify_no_run0
Global seed for "test/calculator/vasp/test_vasp_calculator.py:test_verify_no_run" was: 8112
calculator/vasp/test_vasp_calculator.py::test_check_atoms PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_check_atoms0
Global seed for "test/calculator/vasp/test_vasp_calculator.py:test_check_atoms" was: 3712
calculator/vasp/test_vasp_calculator.py::test_not_atoms[None] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_not_atoms_None_0
Global seed for "test/calculator/vasp/test_vasp_calculator.py:test_not_atoms" was: 6147
calculator/vasp/test_vasp_calculator.py::test_not_atoms[a_string] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_not_atoms_a_string_0
Global seed for "test/calculator/vasp/test_vasp_calculator.py:test_not_atoms" was: 6147
calculator/vasp/test_vasp_calculator.py::test_not_atoms[bad_atoms2] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_not_atoms_bad_atoms2_0
Global seed for "test/calculator/vasp/test_vasp_calculator.py:test_not_atoms" was: 6147
calculator/vasp/test_vasp_calculator.py::test_bad_pbc[pbc0] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_bad_pbc_pbc0_0
Global seed for "test/calculator/vasp/test_vasp_calculator.py:test_bad_pbc" was: 9677
calculator/vasp/test_vasp_calculator.py::test_bad_pbc[pbc1] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_bad_pbc_pbc1_0
Global seed for "test/calculator/vasp/test_vasp_calculator.py:test_bad_pbc" was: 9677
calculator/vasp/test_vasp_calculator.py::test_bad_pbc[pbc2] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_bad_pbc_pbc2_0
Global seed for "test/calculator/vasp/test_vasp_calculator.py:test_bad_pbc" was: 9677
calculator/vasp/test_vasp_calculator.py::test_vasp_no_cell PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_no_cell0
Global seed for "test/calculator/vasp/test_vasp_calculator.py:test_vasp_no_cell" was: 3142
calculator/vasp/test_vasp_calculator.py::test_vasp_name PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_name0
Global seed for "test/calculator/vasp/test_vasp_calculator.py:test_vasp_name" was: 8531
calculator/vasp/test_vasp_calculator.py::test_vasp_get_calculator PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_get_calculator0
Global seed for "test/calculator/vasp/test_vasp_calculator.py:test_vasp_get_calculator" was: 8400
calculator/vasp/test_vasp_calculator.py::test_make_command_envvar[ASE_VASP_COMMAND] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_make_command_envvar_ASE_V0
Global seed for "test/calculator/vasp/test_vasp_calculator.py:test_make_command_envvar" was: 1991
calculator/vasp/test_vasp_calculator.py::test_make_command_envvar[VASP_COMMAND] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_make_command_envvar_VASP_0
Global seed for "test/calculator/vasp/test_vasp_calculator.py:test_make_command_envvar" was: 1991
calculator/vasp/test_vasp_calculator.py::test_make_command_envvar[VASP_SCRIPT] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_make_command_envvar_VASP_1
Global seed for "test/calculator/vasp/test_vasp_calculator.py:test_make_command_envvar" was: 1991
calculator/vasp/test_vasp_calculator.py::test_make_command_no_envvar PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_make_command_no_envvar0
Global seed for "test/calculator/vasp/test_vasp_calculator.py:test_make_command_no_envvar" was: 11293
calculator/vasp/test_vasp_calculator.py::test_make_command_explicit PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_make_command_explicit0
Global seed for "test/calculator/vasp/test_vasp_calculator.py:test_make_command_explicit" was: 5968
calculator/vasp/test_vasp_charge.py::test_vasp_charge[vasp] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_charge_vasp_0
Global seed for "test/calculator/vasp/test_vasp_charge.py:test_vasp_charge" was: 4077
calculator/vasp/test_vasp_charge.py::test_vasp_no_inputs[vasp] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_no_inputs_vasp_0
Global seed for "test/calculator/vasp/test_vasp_charge.py:test_vasp_no_inputs" was: 3862
calculator/vasp/test_vasp_charge.py::test_vasp_minus_charge[vasp] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_minus_charge_vasp_0
Global seed for "test/calculator/vasp/test_vasp_charge.py:test_vasp_minus_charge" was: 7331
calculator/vasp/test_vasp_charge.py::test_vasp_nelect_charge_conflict[vasp] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_nelect_charge_confli0
Global seed for "test/calculator/vasp/test_vasp_charge.py:test_vasp_nelect_charge_conflict" was: 8989
calculator/vasp/test_vasp_charge.py::test_vasp_nelect_no_write[vasp] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_nelect_no_write_vasp0
Global seed for "test/calculator/vasp/test_vasp_charge.py:test_vasp_nelect_no_write" was: 10545
calculator/vasp/test_vasp_charge.py::test_vasp_nelect[vasp] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_nelect_vasp_0
Global seed for "test/calculator/vasp/test_vasp_charge.py:test_vasp_nelect" was: 9632
calculator/vasp/test_vasp_check_state.py::test_vasp_check_state[vasp] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_check_state_vasp_0
Global seed for "test/calculator/vasp/test_vasp_check_state.py:test_vasp_check_state" was: 12297
calculator/vasp/test_vasp_co.py::test_vasp_co[vasp] SKIPPED (Not ins...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_co_vasp_0
Global seed for "test/calculator/vasp/test_vasp_co.py:test_vasp_co" was: 1471
calculator/vasp/test_vasp_input.py::test_sorting PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_sorting0
Global seed for "test/calculator/vasp/test_vasp_input.py:test_sorting" was: 12276
calculator/vasp/test_vasp_input.py::test_write_magmom[random-list] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_magmom_random_list_0
Global seed for "test/calculator/vasp/test_vasp_input.py:test_write_magmom" was: 10940
calculator/vasp/test_vasp_input.py::test_write_magmom[random-tuple] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_magmom_random_tuple0
Global seed for "test/calculator/vasp/test_vasp_input.py:test_write_magmom" was: 10940
calculator/vasp/test_vasp_input.py::test_write_magmom[random-array] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_magmom_random_array0
Global seed for "test/calculator/vasp/test_vasp_input.py:test_write_magmom" was: 10940
calculator/vasp/test_vasp_input.py::test_write_magmom[ones-list] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_magmom_ones_list_0
Global seed for "test/calculator/vasp/test_vasp_input.py:test_write_magmom" was: 10940
calculator/vasp/test_vasp_input.py::test_write_magmom[ones-tuple] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_magmom_ones_tuple_0
Global seed for "test/calculator/vasp/test_vasp_input.py:test_write_magmom" was: 10940
calculator/vasp/test_vasp_input.py::test_write_magmom[ones-array] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_magmom_ones_array_0
Global seed for "test/calculator/vasp/test_vasp_input.py:test_write_magmom" was: 10940
calculator/vasp/test_vasp_input.py::test_write_magmom[binaries-list] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_magmom_binaries_lis0
Global seed for "test/calculator/vasp/test_vasp_input.py:test_write_magmom" was: 10940
calculator/vasp/test_vasp_input.py::test_write_magmom[binaries-tuple] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_magmom_binaries_tup0
Global seed for "test/calculator/vasp/test_vasp_input.py:test_write_magmom" was: 10940
calculator/vasp/test_vasp_input.py::test_write_magmom[binaries-array] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_magmom_binaries_arr0
Global seed for "test/calculator/vasp/test_vasp_input.py:test_write_magmom" was: 10940
calculator/vasp/test_vasp_input.py::test_atoms_with_initial_magmoms[random] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_atoms_with_initial_magmom0
Global seed for "test/calculator/vasp/test_vasp_input.py:test_atoms_with_initial_magmoms" was: 11155
calculator/vasp/test_vasp_input.py::test_atoms_with_initial_magmoms[ones] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_atoms_with_initial_magmom1
Global seed for "test/calculator/vasp/test_vasp_input.py:test_atoms_with_initial_magmoms" was: 11155
calculator/vasp/test_vasp_input.py::test_atoms_with_initial_magmoms[binaries] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_atoms_with_initial_magmom2
Global seed for "test/calculator/vasp/test_vasp_input.py:test_atoms_with_initial_magmoms" was: 11155
calculator/vasp/test_vasp_input.py::test_vasp_from_bool PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_from_bool0
Global seed for "test/calculator/vasp/test_vasp_input.py:test_vasp_from_bool" was: 12122
calculator/vasp/test_vasp_input.py::test_vasp_to_bool PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_to_bool0
Global seed for "test/calculator/vasp/test_vasp_input.py:test_vasp_to_bool" was: 9375
calculator/vasp/test_vasp_input.py::test_vasp_args_without_comment[args0-2] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_args_without_comment0
Global seed for "test/calculator/vasp/test_vasp_input.py:test_vasp_args_without_comment" was: 5733
calculator/vasp/test_vasp_input.py::test_vasp_args_without_comment[args1-2] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_args_without_comment1
Global seed for "test/calculator/vasp/test_vasp_input.py:test_vasp_args_without_comment" was: 5733
calculator/vasp/test_vasp_input.py::test_vasp_args_without_comment[args2-0] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_args_without_comment2
Global seed for "test/calculator/vasp/test_vasp_input.py:test_vasp_args_without_comment" was: 5733
calculator/vasp/test_vasp_input.py::test_vasp_xc PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_xc0
Global seed for "test/calculator/vasp/test_vasp_input.py:test_vasp_xc" was: 10205
calculator/vasp/test_vasp_kpoints.py::test_vasp_kpoints_111[vasp] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_kpoints_111_vasp_0
Global seed for "test/calculator/vasp/test_vasp_kpoints.py:test_vasp_kpoints_111" was: 249
calculator/vasp/test_vasp_kpoints.py::test_vasp_kpoints_3_tuple[vasp] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_kpoints_3_tuple_vasp0
Global seed for "test/calculator/vasp/test_vasp_kpoints.py:test_vasp_kpoints_3_tuple" was: 5064
calculator/vasp/test_vasp_kpoints.py::test_vasp_kpoints_auto[vasp] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_kpoints_auto_vasp_0
Global seed for "test/calculator/vasp/test_vasp_kpoints.py:test_vasp_kpoints_auto" was: 3223
calculator/vasp/test_vasp_kpoints.py::test_vasp_kpoints_1_element_list_gamma[vasp] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_kpoints_1_element_li0
Global seed for "test/calculator/vasp/test_vasp_kpoints.py:test_vasp_kpoints_1_element_list_gamma" was: 4212
calculator/vasp/test_vasp_kpoints.py::test_kspacing_supress_kpoints_file[vasp] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_kspacing_supress_kpoints_0
Global seed for "test/calculator/vasp/test_vasp_kpoints.py:test_kspacing_supress_kpoints_file" was: 11535
calculator/vasp/test_vasp_kpoints.py::test_negative_kspacing_error[vasp] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_negative_kspacing_error_v0
Global seed for "test/calculator/vasp/test_vasp_kpoints.py:test_negative_kspacing_error" was: 640
calculator/vasp/test_vasp_kpoints.py::test_weighted[vasp] SKIPPED (N...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_weighted_vasp_0
Global seed for "test/calculator/vasp/test_vasp_kpoints.py:test_weighted" was: 9487
calculator/vasp/test_vasp_kpoints.py::test_explicit_auto_weight[vasp] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_explicit_auto_weight_vasp0
Global seed for "test/calculator/vasp/test_vasp_kpoints.py:test_explicit_auto_weight" was: 5396
calculator/vasp/test_vasp_net_charge.py::test_vasp_net_charge[vasp] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_net_charge_vasp_0
Global seed for "test/calculator/vasp/test_vasp_net_charge.py:test_vasp_net_charge" was: 6721
calculator/vasp/test_vasp_setup.py::test_vasp_setup_atoms_1[vasp-settings0-expected0] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_setup_atoms_1_vasp_s0
Global seed for "test/calculator/vasp/test_vasp_setup.py:test_vasp_setup_atoms_1" was: 985
calculator/vasp/test_vasp_setup.py::test_vasp_setup_atoms_1[vasp-settings1-expected1] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_setup_atoms_1_vasp_s1
Global seed for "test/calculator/vasp/test_vasp_setup.py:test_vasp_setup_atoms_1" was: 985
calculator/vasp/test_vasp_setup.py::test_vasp_setup_atoms_1[vasp-settings2-expected2] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_setup_atoms_1_vasp_s2
Global seed for "test/calculator/vasp/test_vasp_setup.py:test_vasp_setup_atoms_1" was: 985
calculator/vasp/test_vasp_setup.py::test_vasp_setup_atoms_2[vasp-settings0-expected0] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_setup_atoms_2_vasp_s0
Global seed for "test/calculator/vasp/test_vasp_setup.py:test_vasp_setup_atoms_2" was: 4797
calculator/vasp/test_vasp_setup.py::test_vasp_setup_atoms_2[vasp-settings1-expected1] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_setup_atoms_2_vasp_s1
Global seed for "test/calculator/vasp/test_vasp_setup.py:test_vasp_setup_atoms_2" was: 4797
calculator/vasp/test_vasp_setup.py::test_vasp_setup_atoms_2[vasp-settings2-expected2] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_setup_atoms_2_vasp_s2
Global seed for "test/calculator/vasp/test_vasp_setup.py:test_vasp_setup_atoms_2" was: 4797
calculator/vasp/test_vasp_setup.py::test_setup_error[vasp-settings0-expected0] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_setup_error_vasp_settings0
Global seed for "test/calculator/vasp/test_vasp_setup.py:test_setup_error" was: 8587
calculator/vasp/test_vasp_setup.py::test_setup_error[vasp-settings1-expected1] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_setup_error_vasp_settings1
Global seed for "test/calculator/vasp/test_vasp_setup.py:test_setup_error" was: 8587
calculator/vasp/test_vasp_setup.py::test_setup_error[vasp-settings2-expected2] SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_setup_error_vasp_settings2
Global seed for "test/calculator/vasp/test_vasp_setup.py:test_setup_error" was: 8587
calculator/vasp/test_vasp_wdir.py::test_vasp_wdir[vasp] SKIPPED (Not...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_wdir_vasp_0
Global seed for "test/calculator/vasp/test_vasp_wdir.py:test_vasp_wdir" was: 5503
calculator/vasp/test_vasp_xml.py::test_main[vasp] SKIPPED (Not insta...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_main_vasp_0
Global seed for "test/calculator/vasp/test_vasp_xml.py:test_main" was: 11301
calculator/vasp/test_version.py::test_vasp_version PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_version0
Global seed for "test/calculator/vasp/test_version.py:test_vasp_version" was: 4592
cell/test_cell.py::test_lengths_angles PASSEDGlobal seed for "test/cell/test_cell.py:test_lengths_angles" was: 2173
cell/test_cell.py::test_new PASSEDGlobal seed for "test/cell/test_cell.py:test_new" was: 3097
cell/test_cell.py::test_handedness PASSEDGlobal seed for "test/cell/test_cell.py:test_handedness" was: 5701
cell/test_cell_completion.py::test_cell_completion PASSEDGlobal seed for "test/cell/test_cell_completion.py:test_cell_completion" was: 5163
cell/test_cell_conv.py::test_cell_conv PASSEDGlobal seed for "test/cell/test_cell_conv.py:test_cell_conv" was: 4191
cell/test_cell_uncompletion.py::test_uncomplete[cell0] PASSEDGlobal seed for "test/cell/test_cell_uncompletion.py:test_uncomplete" was: 6607
cell/test_cell_uncompletion.py::test_uncomplete[cell1] PASSEDGlobal seed for "test/cell/test_cell_uncompletion.py:test_uncomplete" was: 6607
cell/test_conventional_map.py::test_conventional_map[lat0] PASSEDGlobal seed for "test/cell/test_conventional_map.py:test_conventional_map" was: 10902
cell/test_conventional_map.py::test_conventional_map[lat1] PASSEDGlobal seed for "test/cell/test_conventional_map.py:test_conventional_map" was: 10902
cell/test_conventional_map.py::test_conventional_map[lat2] PASSEDGlobal seed for "test/cell/test_conventional_map.py:test_conventional_map" was: 10902
cell/test_conventional_map.py::test_conventional_map[lat3] PASSEDGlobal seed for "test/cell/test_conventional_map.py:test_conventional_map" was: 10902
cell/test_conventional_map.py::test_conventional_map[lat4] PASSEDGlobal seed for "test/cell/test_conventional_map.py:test_conventional_map" was: 10902
cell/test_conventional_map.py::test_conventional_map[lat5] PASSEDGlobal seed for "test/cell/test_conventional_map.py:test_conventional_map" was: 10902
cell/test_conventional_map.py::test_conventional_map[lat6] PASSEDGlobal seed for "test/cell/test_conventional_map.py:test_conventional_map" was: 10902
cell/test_conventional_map.py::test_conventional_map[lat7] PASSEDGlobal seed for "test/cell/test_conventional_map.py:test_conventional_map" was: 10902
cell/test_conventional_map.py::test_conventional_map[lat8] PASSEDGlobal seed for "test/cell/test_conventional_map.py:test_conventional_map" was: 10902
cell/test_conventional_map.py::test_conventional_map[lat9] PASSEDGlobal seed for "test/cell/test_conventional_map.py:test_conventional_map" was: 10902
cell/test_conventional_map.py::test_conventional_map[lat10] PASSEDGlobal seed for "test/cell/test_conventional_map.py:test_conventional_map" was: 10902
cell/test_conventional_map.py::test_conventional_map[lat11] PASSEDGlobal seed for "test/cell/test_conventional_map.py:test_conventional_map" was: 10902
cell/test_conventional_map.py::test_conventional_map[lat12] PASSEDGlobal seed for "test/cell/test_conventional_map.py:test_conventional_map" was: 10902
cell/test_conventional_map.py::test_conventional_map[lat13] PASSEDGlobal seed for "test/cell/test_conventional_map.py:test_conventional_map" was: 10902
cell/test_conventional_map.py::test_conventional_map[lat14] PASSEDGlobal seed for "test/cell/test_conventional_map.py:test_conventional_map" was: 10902
cell/test_conventional_map.py::test_conventional_map[lat15] PASSEDGlobal seed for "test/cell/test_conventional_map.py:test_conventional_map" was: 10902
cell/test_conventional_map.py::test_conventional_map[lat16] PASSEDGlobal seed for "test/cell/test_conventional_map.py:test_conventional_map" was: 10902
cell/test_conventional_map.py::test_conventional_map[lat17] PASSEDGlobal seed for "test/cell/test_conventional_map.py:test_conventional_map" was: 10902
cell/test_conventional_map.py::test_conventional_map[lat18] PASSEDGlobal seed for "test/cell/test_conventional_map.py:test_conventional_map" was: 10902
cell/test_conventional_map.py::test_conventional_map[lat19] PASSEDGlobal seed for "test/cell/test_conventional_map.py:test_conventional_map" was: 10902
cell/test_conventional_map.py::test_conventional_map[lat20] PASSEDGlobal seed for "test/cell/test_conventional_map.py:test_conventional_map" was: 10902
cell/test_conventional_map.py::test_conventional_map[lat21] PASSEDGlobal seed for "test/cell/test_conventional_map.py:test_conventional_map" was: 10902
cell/test_conventional_map.py::test_conventional_map[lat22] PASSEDGlobal seed for "test/cell/test_conventional_map.py:test_conventional_map" was: 10902
cell/test_minkowski_reduce.py::test_issue PASSEDGlobal seed for "test/cell/test_minkowski_reduce.py:test_issue" was: 5078
cell/test_minkowski_reduce.py::test_cycle PASSEDGlobal seed for "test/cell/test_minkowski_reduce.py:test_cycle" was: 2251
cell/test_minkowski_reduce.py::test_random[0] PASSEDGlobal seed for "test/cell/test_minkowski_reduce.py:test_random" was: 8668
cell/test_minkowski_reduce.py::test_random[1] PASSEDGlobal seed for "test/cell/test_minkowski_reduce.py:test_random" was: 8668
cell/test_minkowski_reduce.py::test_random[2] PASSEDGlobal seed for "test/cell/test_minkowski_reduce.py:test_random" was: 8668
cell/test_minkowski_reduce.py::test_random[3] PASSEDGlobal seed for "test/cell/test_minkowski_reduce.py:test_random" was: 8668
cell/test_minkowski_reduce.py::test_random[4] PASSEDGlobal seed for "test/cell/test_minkowski_reduce.py:test_random" was: 8668
cell/test_minkowski_reduce.py::test_random[5] PASSEDGlobal seed for "test/cell/test_minkowski_reduce.py:test_random" was: 8668
cell/test_minkowski_reduce.py::test_random[6] PASSEDGlobal seed for "test/cell/test_minkowski_reduce.py:test_random" was: 8668
cell/test_minkowski_reduce.py::test_random[7] PASSEDGlobal seed for "test/cell/test_minkowski_reduce.py:test_random" was: 8668
cell/test_minkowski_reduce.py::test_random[8] PASSEDGlobal seed for "test/cell/test_minkowski_reduce.py:test_random" was: 8668
cell/test_minkowski_reduce.py::test_random[9] PASSEDGlobal seed for "test/cell/test_minkowski_reduce.py:test_random" was: 8668
cell/test_minkowski_reduce.py::TestKnownUnimodularMatrix::test_pbc[1] PASSEDGlobal seed for "test/cell/test_minkowski_reduce.py:test_pbc" was: 7831
cell/test_minkowski_reduce.py::TestKnownUnimodularMatrix::test_pbc[True] PASSEDGlobal seed for "test/cell/test_minkowski_reduce.py:test_pbc" was: 7831
cell/test_minkowski_reduce.py::TestKnownUnimodularMatrix::test_pbc[pbc2] PASSEDGlobal seed for "test/cell/test_minkowski_reduce.py:test_pbc" was: 7831
cell/test_minkowski_reduce.py::TestKnownUnimodularMatrix::test_0d PASSEDGlobal seed for "test/cell/test_minkowski_reduce.py:test_0d" was: 6873
cell/test_minkowski_reduce.py::TestKnownUnimodularMatrix::test_1d[0] PASSEDGlobal seed for "test/cell/test_minkowski_reduce.py:test_1d" was: 2151
cell/test_minkowski_reduce.py::TestKnownUnimodularMatrix::test_1d[1] PASSEDGlobal seed for "test/cell/test_minkowski_reduce.py:test_1d" was: 2151
cell/test_minkowski_reduce.py::TestKnownUnimodularMatrix::test_1d[2] PASSEDGlobal seed for "test/cell/test_minkowski_reduce.py:test_1d" was: 2151
cell/test_minkowski_reduce.py::TestKnownUnimodularMatrix::test_2d[0] PASSEDGlobal seed for "test/cell/test_minkowski_reduce.py:test_2d" was: 9774
cell/test_minkowski_reduce.py::TestKnownUnimodularMatrix::test_2d[1] PASSEDGlobal seed for "test/cell/test_minkowski_reduce.py:test_2d" was: 9774
cell/test_minkowski_reduce.py::TestKnownUnimodularMatrix::test_2d[2] PASSEDGlobal seed for "test/cell/test_minkowski_reduce.py:test_2d" was: 9774
cell/test_minkowski_reduce.py::TestKnownUnimodularMatrix::test_3d PASSEDGlobal seed for "test/cell/test_minkowski_reduce.py:test_3d" was: 5052
cell/test_niggli.py::test_niggli[0] PASSEDGlobal seed for "test/cell/test_niggli.py:test_niggli" was: 9561
cell/test_niggli.py::test_niggli[1] PASSEDGlobal seed for "test/cell/test_niggli.py:test_niggli" was: 9561
cell/test_niggli.py::test_niggli[2] PASSEDGlobal seed for "test/cell/test_niggli.py:test_niggli" was: 9561
cell/test_niggli.py::test_niggli[3] PASSEDGlobal seed for "test/cell/test_niggli.py:test_niggli" was: 9561
cell/test_niggli.py::test_niggli[4] PASSEDGlobal seed for "test/cell/test_niggli.py:test_niggli" was: 9561
cell/test_niggli.py::test_niggli[5] PASSEDGlobal seed for "test/cell/test_niggli.py:test_niggli" was: 9561
cell/test_niggli.py::test_niggli[6] PASSEDGlobal seed for "test/cell/test_niggli.py:test_niggli" was: 9561
cell/test_niggli.py::test_niggli[7] PASSEDGlobal seed for "test/cell/test_niggli.py:test_niggli" was: 9561
cell/test_niggli.py::test_niggli[8] PASSEDGlobal seed for "test/cell/test_niggli.py:test_niggli" was: 9561
cell/test_niggli.py::test_niggli[9] PASSEDGlobal seed for "test/cell/test_niggli.py:test_niggli" was: 9561
cell/test_niggli.py::test_niggli[10] PASSEDGlobal seed for "test/cell/test_niggli.py:test_niggli" was: 9561
cell/test_niggli.py::test_niggli[11] PASSEDGlobal seed for "test/cell/test_niggli.py:test_niggli" was: 9561
cell/test_niggli.py::test_niggli[12] PASSEDGlobal seed for "test/cell/test_niggli.py:test_niggli" was: 9561
cell/test_niggli.py::test_niggli[13] PASSEDGlobal seed for "test/cell/test_niggli.py:test_niggli" was: 9561
cell/test_niggli.py::test_niggli[14] PASSEDGlobal seed for "test/cell/test_niggli.py:test_niggli" was: 9561
cell/test_niggli.py::test_niggli[15] PASSEDGlobal seed for "test/cell/test_niggli.py:test_niggli" was: 9561
cell/test_niggli.py::test_niggli[16] PASSEDGlobal seed for "test/cell/test_niggli.py:test_niggli" was: 9561
cell/test_niggli.py::test_niggli[17] PASSEDGlobal seed for "test/cell/test_niggli.py:test_niggli" was: 9561
cell/test_niggli.py::test_niggli[18] PASSEDGlobal seed for "test/cell/test_niggli.py:test_niggli" was: 9561
cell/test_niggli.py::test_niggli[19] PASSEDGlobal seed for "test/cell/test_niggli.py:test_niggli" was: 9561
cell/test_niggli_op.py::test_niggli_op [ 0.94312101  1.36441944  0.24773    29.10091997  8.77798557 24.12282687]
[[-1  1 -3]
 [ 0  0  1]
 [ 4 -3  6]]
9.379164112033322e-13
[ 0.63553324  0.97788744  0.81364113 15.10448253  2.80203038 13.85230099]
[[ 4 -5  4]
 [ 0  0 -1]
 [-3  4 -2]]
1.8189894035458565e-12
[ 0.56560349  0.83609039  0.9996961  23.0216384  12.52604503 30.60824566]
[[ 2  2  1]
 [ 0  1  1]
 [-1 -2 -1]]
8.526512829121202e-14
[ 1.03759401  1.48989137  0.93095543 33.02973861 64.17962269 31.15812862]
[[  1  12   8]
 [ -1 -14  -9]
 [  1  13   8]]
6.012612630001968e-11
[ 0.93212725  0.66016129  0.6058941  10.05863659 26.78366173 27.98946747]
[[ 0 -1  1]
 [-1  1  1]
 [ 1  0 -3]]
5.684341886080802e-14
PASSEDGlobal seed for "test/cell/test_niggli_op.py:test_niggli_op" was: 7457
cell/test_standard_form.py::test_standard_form PASSEDGlobal seed for "test/cell/test_standard_form.py:test_standard_form" was: 10219
cell/test_supercell.py::test_supercell PASSEDGlobal seed for "test/cell/test_supercell.py:test_supercell" was: 7414
cell/test_supercell.py::test_bcc_to_cub_transformation PASSEDGlobal seed for "test/cell/test_supercell.py:test_bcc_to_cub_transformation" was: 8422
cell/test_supercell.py::test_random_transformations natoms 1 err 3.552713678800501e-15
natoms 12 err 3.360332845314673e-14
natoms 10 err 5.329070518200751e-15
natoms 4 err 1.2434497875801753e-14
natoms 1 err 1.7763568394002505e-15
natoms 6 err 7.105427357601002e-15
natoms 4 err 1.1546319456101628e-14
natoms 2 err 1.4210854715202004e-14
natoms 8 err 7.105427357601002e-15
natoms 6 err 1.0954778750793537e-14
PASSEDGlobal seed for "test/cell/test_supercell.py:test_random_transformations" was: 9830
cli/test_ag.py::test_ag PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ag0
Global seed for "test/cli/test_ag.py:test_ag" was: 532
cli/test_bandstructure.py::test_ase_bandstructure SKIPPED (could not...)
cli/test_bzplot.py::test_bzplot[3-dim] SKIPPED (could not import 'ma...)
cli/test_bzplot.py::test_bzplot[2-dim] SKIPPED (could not import 'ma...)
cli/test_bzplot.py::test_bzplot[1-dim] SKIPPED (could not import 'ma...)
cli/test_complete.py::test_complete PASSEDGlobal seed for "test/cli/test_complete.py:test_complete" was: 10648
cli/test_convert.py::test_convert PASSEDGlobal seed for "test/cli/test_convert.py:test_convert" was: 8405
cli/test_diff.py::test_singleFile_falseCalc_multipleImages                 Step[ FC]     Time          Energy          fmax
*Force-consistent energies used in optimization.
BFGSLineSearch:    0[  0] 09:18:50        3.323870*       0.2462
BFGSLineSearch:    1[  1] 09:18:50        3.314754*       0.0378
BFGSLineSearch:    2[  3] 09:18:50        3.314409*       0.0165
PASSEDGlobal seed for "test/cli/test_diff.py:test_singleFile_falseCalc_multipleImages" was: 11321
cli/test_diff.py::test_singleFile_trueCalc_multipleImages PASSEDGlobal seed for "test/cli/test_diff.py:test_singleFile_trueCalc_multipleImages" was: 3141
cli/test_diff.py::test_twoFiles_falseCalc_singleImage PASSEDGlobal seed for "test/cli/test_diff.py:test_twoFiles_falseCalc_singleImage" was: 11321
cli/test_diff.py::test_twoFiles_trueCalc_singleImage PASSEDGlobal seed for "test/cli/test_diff.py:test_twoFiles_trueCalc_singleImage" was: 7282
cli/test_diff.py::test_twoFiles_falseCalc_multipleImages PASSEDGlobal seed for "test/cli/test_diff.py:test_twoFiles_falseCalc_multipleImages" was: 4403
cli/test_diff.py::test_twoFiles_trueCalc_multipleImages PASSEDGlobal seed for "test/cli/test_diff.py:test_twoFiles_trueCalc_multipleImages" was: 7039
cli/test_diff.py::test_cli_opt PASSEDGlobal seed for "test/cli/test_diff.py:test_cli_opt" was: 4938
cli/test_diff.py::test_template_functions PASSEDGlobal seed for "test/cli/test_diff.py:test_template_functions" was: 215
cli/test_diff.py::test_template_classes PASSEDGlobal seed for "test/cli/test_diff.py:test_template_classes" was: 1153
cli/test_dimensionality.py::test_single[layer-False] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_single_layer_False_0
Global seed for "test/cli/test_dimensionality.py:test_single" was: 7237
cli/test_dimensionality.py::test_single[layer-True] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_single_layer_True_0
Global seed for "test/cli/test_dimensionality.py:test_single" was: 7237
cli/test_dimensionality.py::test_single[bulk-False] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_single_bulk_False_0
Global seed for "test/cli/test_dimensionality.py:test_single" was: 7237
cli/test_dimensionality.py::test_single[bulk-True] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_single_bulk_True_0
Global seed for "test/cli/test_dimensionality.py:test_single" was: 7237
cli/test_exec.py::test_exec_fail_withoutcode usage: ase exec [-h] [-e EXEC_CODE] [-E EXEC_FILE] [-i FORMAT] [-n NUMBER]
                [--read-args KEY=VALUE [KEY=VALUE ...]]
                input-file [input-file ...]
ase exec: error: At least one of '-e' or '-E' must be provided
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_exec_fail_withoutcode0
Global seed for "test/cli/test_exec.py:test_exec_fail_withoutcode" was: 1410
cli/test_exec.py::test_exec_atoms PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_exec_atoms0
Global seed for "test/cli/test_exec.py:test_exec_atoms" was: 167
cli/test_exec.py::test_exec_index PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_exec_index0
Global seed for "test/cli/test_exec.py:test_exec_index" was: 4552
cli/test_exec.py::test_exec_images PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_exec_images0
Global seed for "test/cli/test_exec.py:test_exec_images" was: 8823
cli/test_exec.py::test_exec_file PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_exec_file0
Global seed for "test/cli/test_exec.py:test_exec_file" was: 12340
cli/test_info.py::test_info PASSEDGlobal seed for "test/cli/test_info.py:test_info" was: 4570
cli/test_info.py::test_info_formats PASSEDGlobal seed for "test/cli/test_info.py:test_info_formats" was: 8169
cli/test_info.py::test_info_calculators PASSEDGlobal seed for "test/cli/test_info.py:test_info_calculators" was: 1858
cli/test_info.py::test_info_file_ok PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_info_file_ok0
Global seed for "test/cli/test_info.py:test_info_file_ok" was: 12302
cli/test_info.py::test_info_file_fail PASSEDGlobal seed for "test/cli/test_info.py:test_info_file_fail" was: 6654
constraints/test_CO2linear_Au111.py::test_au111[False]       Step     Time          Energy         fmax
BFGS:    0 09:19:00        7.561109       16.2844
BFGS:    1 09:19:00        4.128567        4.1259
BFGS:    2 09:19:00        3.452053        1.6767
BFGS:    3 09:19:00        3.076748        0.8129
BFGS:    4 09:19:00        2.938451        0.7639
BFGS:    5 09:19:00        2.840313        0.8282
BFGS:    6 09:19:00        2.771979        0.7129
BFGS:    7 09:19:00        2.729886        0.5797
BFGS:    8 09:19:00        2.698008        0.3724
BFGS:    9 09:19:00        2.668628        0.4237
BFGS:   10 09:19:00        2.646426        0.3845
BFGS:   11 09:19:00        2.626110        0.3650
BFGS:   12 09:19:00        2.600137        0.3322
BFGS:   13 09:19:00        2.578640        0.2485
BFGS:   14 09:19:00        2.566459        0.1957
BFGS:   15 09:19:00        2.560183        0.1634
BFGS:   16 09:19:00        2.555909        0.1305
BFGS:   17 09:19:00        2.549642        0.1341
BFGS:   18 09:19:01        2.544320        0.1113
BFGS:   19 09:19:01        2.541376        0.0711
BFGS:   20 09:19:01        2.540041        0.0744
BFGS:   21 09:19:01        2.539191        0.0649
BFGS:   22 09:19:01        2.538287        0.0485
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_au111_False_0
Global seed for "test/constraints/test_CO2linear_Au111.py:test_au111" was: 6293
constraints/test_CO2linear_Au111.py::test_au111[True]       Step     Time          Energy         fmax
BFGS:    0 09:19:01        7.561109       16.2844
BFGS:    1 09:19:01        4.128567        4.1259
BFGS:    2 09:19:01        3.452053        1.6767
BFGS:    3 09:19:01        3.076748        0.8129
BFGS:    4 09:19:01        2.938451        0.7639
BFGS:    5 09:19:01        2.840313        0.8282
BFGS:    6 09:19:01        2.771979        0.7129
BFGS:    7 09:19:01        2.729886        0.5797
BFGS:    8 09:19:01        2.698008        0.3724
BFGS:    9 09:19:01        2.668628        0.4237
BFGS:   10 09:19:01        2.646426        0.3845
BFGS:   11 09:19:01        2.626110        0.3650
BFGS:   12 09:19:01        2.600137        0.3322
BFGS:   13 09:19:01        2.578640        0.2485
BFGS:   14 09:19:01        2.566459        0.1957
BFGS:   15 09:19:01        2.560183        0.1634
BFGS:   16 09:19:01        2.555909        0.1305
BFGS:   17 09:19:01        2.549642        0.1341
BFGS:   18 09:19:01        2.544320        0.1113
BFGS:   19 09:19:01        2.541376        0.0711
BFGS:   20 09:19:01        2.540041        0.0744
BFGS:   21 09:19:01        2.539191        0.0649
BFGS:   22 09:19:01        2.538287        0.0485
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_au111_True_0
Global seed for "test/constraints/test_CO2linear_Au111.py:test_au111" was: 6293
constraints/test_external_force.py::test_external_force       Step     Time          Energy         fmax
*Force-consistent energies used in optimization.
FIRE:    0 09:19:01        2.089514*       6.2043
FIRE:    1 09:19:01        1.809958*       3.5863
FIRE:    2 09:19:01        1.745239*       3.1338
FIRE:    3 09:19:01        1.662928*       2.1197
FIRE:    4 09:19:01        1.627775*       1.7012
FIRE:    5 09:19:01        1.624733*       1.5940
FIRE:    6 09:19:01        1.619371*       1.3938
FIRE:    7 09:19:01        1.612856*       1.1265
FIRE:    8 09:19:01        1.606371*       0.8254
FIRE:    9 09:19:01        1.600695*       0.7786
FIRE:   10 09:19:01        1.595974*       0.8069
FIRE:   11 09:19:01        1.591793*       0.8015
FIRE:   12 09:19:01        1.587084*       0.8561
FIRE:   13 09:19:01        1.581170*       0.9149
FIRE:   14 09:19:01        1.573494*       0.9002
FIRE:   15 09:19:01        1.563560*       0.8208
FIRE:   16 09:19:01        1.550463*       0.8100
FIRE:   17 09:19:01        1.532646*       0.8994
FIRE:   18 09:19:01        1.508882*       0.8150
FIRE:   19 09:19:01        1.479784*       0.6550
FIRE:   20 09:19:01        1.447047*       0.7103
FIRE:   21 09:19:01        1.413290*       0.5545
FIRE:   22 09:19:01        1.393679*       0.4118
FIRE:   23 09:19:01        1.414821*       1.0768
FIRE:   24 09:19:01        1.411725*       0.9134
FIRE:   25 09:19:01        1.407224*       0.6406
FIRE:   26 09:19:01        1.403233*       0.5072
FIRE:   27 09:19:01        1.400327*       0.6279
FIRE:   28 09:19:01        1.397713*       0.6352
FIRE:   29 09:19:01        1.394817*       0.5108
FIRE:   30 09:19:01        1.392262*       0.2666
FIRE:   31 09:19:01        1.391423*       0.1329
FIRE:   32 09:19:01        1.391407*       0.1261
FIRE:   33 09:19:01        1.391379*       0.1129
FIRE:   34 09:19:01        1.391345*       0.0942
FIRE:   35 09:19:01        1.391313*       0.0714
FIRE:   36 09:19:01        1.391289*       0.0467
FIRE:   37 09:19:01        1.391276*       0.0355
FIRE:   38 09:19:01        1.391272*       0.0530
FIRE:   39 09:19:01        1.391272*       0.0525
FIRE:   40 09:19:01        1.391271*       0.0515
FIRE:   41 09:19:01        1.391269*       0.0501
FIRE:   42 09:19:01        1.391267*       0.0482
FIRE:   43 09:19:01        1.391265*       0.0459
FIRE:   44 09:19:01        1.391263*       0.0433
FIRE:   45 09:19:01        1.391260*       0.0403
FIRE:   46 09:19:01        1.391257*       0.0367
FIRE:   47 09:19:01        1.391254*       0.0325
FIRE:   48 09:19:01        1.391250*       0.0277
FIRE:   49 09:19:01        1.391246*       0.0224
FIRE:   50 09:19:01        1.391242*       0.0236
FIRE:   51 09:19:01        1.391237*       0.0257
FIRE:   52 09:19:01        1.391233*       0.0267
FIRE:   53 09:19:01        1.391228*       0.0260
FIRE:   54 09:19:01        1.391222*       0.0228
FIRE:   55 09:19:01        1.391216*       0.0169
FIRE:   56 09:19:01        1.391212*       0.0082
FIRE:   57 09:19:01        1.391210*       0.0064
FIRE:   58 09:19:01        1.391210*       0.0102
FIRE:   59 09:19:01        1.391210*       0.0097
FIRE:   60 09:19:01        1.391210*       0.0089
FIRE:   61 09:19:01        1.391210*       0.0078
FIRE:   62 09:19:01        1.391210*       0.0063
FIRE:   63 09:19:01        1.391209*       0.0046
FIRE:   64 09:19:01        1.391209*       0.0029
FIRE:   65 09:19:01        1.391209*       0.0021
FIRE:   66 09:19:01        1.391209*       0.0036
FIRE:   67 09:19:01        1.391209*       0.0036
FIRE:   68 09:19:01        1.391209*       0.0035
FIRE:   69 09:19:01        1.391209*       0.0034
FIRE:   70 09:19:01        1.391209*       0.0033
FIRE:   71 09:19:01        1.391209*       0.0031
FIRE:   72 09:19:01        1.391209*       0.0029
FIRE:   73 09:19:01        1.391209*       0.0027
FIRE:   74 09:19:01        1.391209*       0.0025
FIRE:   75 09:19:01        1.391209*       0.0021
FIRE:   76 09:19:01        1.391209*       0.0018
FIRE:   77 09:19:01        1.391209*       0.0014
FIRE:   78 09:19:01        1.391209*       0.0013
FIRE:   79 09:19:01        1.391209*       0.0015
FIRE:   80 09:19:01        1.391209*       0.0017
FIRE:   81 09:19:01        1.391209*       0.0017
FIRE:   82 09:19:01        1.391209*       0.0016
FIRE:   83 09:19:01        1.391209*       0.0013
FIRE:   84 09:19:01        1.391209*       0.0009
      Step     Time          Energy         fmax
*Force-consistent energies used in optimization.
FIRE:    0 09:19:01        1.208648*       0.1993
FIRE:    1 09:19:01        1.208162*       0.1359
FIRE:    2 09:19:01        1.207811*       0.1706
FIRE:    3 09:19:01        1.207411*       0.0153
FIRE:    4 09:19:01        1.207591*       0.1280
FIRE:    5 09:19:01        1.207529*       0.0934
FIRE:    6 09:19:01        1.207474*       0.0360
FIRE:    7 09:19:01        1.207474*       0.0589
FIRE:    8 09:19:01        1.207470*       0.0553
FIRE:    9 09:19:01        1.207462*       0.0486
FIRE:   10 09:19:01        1.207453*       0.0394
FIRE:   11 09:19:01        1.207445*       0.0292
FIRE:   12 09:19:01        1.207438*       0.0205
FIRE:   13 09:19:01        1.207434*       0.0302
FIRE:   14 09:19:01        1.207431*       0.0366
FIRE:   15 09:19:01        1.207427*       0.0391
FIRE:   16 09:19:01        1.207421*       0.0365
FIRE:   17 09:19:01        1.207412*       0.0280
FIRE:   18 09:19:01        1.207405*       0.0135
FIRE:   19 09:19:01        1.207402*       0.0099
FIRE:   20 09:19:01        1.207401*       0.0095
FIRE:   21 09:19:01        1.207401*       0.0086
FIRE:   22 09:19:01        1.207401*       0.0075
FIRE:   23 09:19:01        1.207401*       0.0060
FIRE:   24 09:19:01        1.207401*       0.0045
FIRE:   25 09:19:01        1.207401*       0.0031
FIRE:   26 09:19:01        1.207401*       0.0038
FIRE:   27 09:19:01        1.207400*       0.0051
FIRE:   28 09:19:01        1.207400*       0.0059
FIRE:   29 09:19:01        1.207400*       0.0061
FIRE:   30 09:19:01        1.207400*       0.0055
FIRE:   31 09:19:01        1.207400*       0.0040
FIRE:   32 09:19:01        1.207400*       0.0016
FIRE:   33 09:19:01        1.207400*       0.0017
FIRE:   34 09:19:01        1.207400*       0.0016
FIRE:   35 09:19:01        1.207400*       0.0014
FIRE:   36 09:19:01        1.207400*       0.0012
FIRE:   37 09:19:01        1.207400*       0.0009
      Step     Time          Energy         fmax
*Force-consistent energies used in optimization.
FIRE:    0 09:19:01        1.207400*       0.0006
      Step     Time          Energy         fmax
*Force-consistent energies used in optimization.
FIRE:    0 09:19:01        1.392549*       0.0006
      Step     Time          Energy         fmax
*Force-consistent energies used in optimization.
FIRE:    0 09:19:01        1.022250*       0.1991
FIRE:    1 09:19:01        1.021688*       0.1086
FIRE:    2 09:19:01        1.021333*       0.1131
FIRE:    3 09:19:01        1.021111*       0.1258
FIRE:    4 09:19:01        1.020985*       0.0322
FIRE:    5 09:19:01        1.020980*       0.0300
FIRE:    6 09:19:01        1.020970*       0.0258
FIRE:    7 09:19:01        1.020960*       0.0203
FIRE:    8 09:19:01        1.020949*       0.0173
FIRE:    9 09:19:01        1.020940*       0.0164
FIRE:   10 09:19:01        1.020932*       0.0129
FIRE:   11 09:19:01        1.020927*       0.0081
FIRE:   12 09:19:01        1.020927*       0.0025
FIRE:   13 09:19:01        1.020927*       0.0024
FIRE:   14 09:19:01        1.020927*       0.0024
FIRE:   15 09:19:01        1.020927*       0.0022
FIRE:   16 09:19:01        1.020927*       0.0021
FIRE:   17 09:19:01        1.020927*       0.0020
FIRE:   18 09:19:01        1.020926*       0.0019
FIRE:   19 09:19:01        1.020926*       0.0018
FIRE:   20 09:19:01        1.020926*       0.0016
FIRE:   21 09:19:01        1.020926*       0.0013
FIRE:   22 09:19:01        1.020926*       0.0010
PASSEDGlobal seed for "test/constraints/test_external_force.py:test_external_force" was: 1962
constraints/test_fix_bond_length_mic.py::test_fix_bond_length_mic[False] PASSEDGlobal seed for "test/constraints/test_fix_bond_length_mic.py:test_fix_bond_length_mic" was: 7846
constraints/test_fix_bond_length_mic.py::test_fix_bond_length_mic[True] PASSEDGlobal seed for "test/constraints/test_fix_bond_length_mic.py:test_fix_bond_length_mic" was: 7846
constraints/test_fixatoms.py::test_fixatoms slice(0, -1, None) None []
slice(0, 1, None) [0] [FixAtoms(indices=[0])]
slice(0, None, None) None []
0 [0] [FixAtoms(indices=[0])]
1 [0] [FixAtoms(indices=[0])]
2 [0, 1] [FixAtoms(indices=[0, 1])]
-1 [0, 1] [FixAtoms(indices=[0, 1])]
PASSEDGlobal seed for "test/constraints/test_fixatoms.py:test_fixatoms" was: 6679
constraints/test_fixbondlength_CO2_Au111.py::test_CO2_Au111[False]       Step     Time          Energy         fmax
BFGS:    0 09:19:02        7.561109       16.2844
BFGS:    1 09:19:02        4.104352        4.1368
BFGS:    2 09:19:02        3.432328        1.7581
BFGS:    3 09:19:02        3.062728        0.8739
BFGS:    4 09:19:02        2.925419        0.7643
BFGS:    5 09:19:02        2.828797        0.8169
BFGS:    6 09:19:02        2.763324        0.7072
BFGS:    7 09:19:02        2.723496        0.5612
BFGS:    8 09:19:02        2.692812        0.3686
BFGS:    9 09:19:02        2.664246        0.4199
BFGS:   10 09:19:02        2.642732        0.3838
BFGS:   11 09:19:02        2.623490        0.3447
BFGS:   12 09:19:02        2.598798        0.3181
BFGS:   13 09:19:03        2.577867        0.2432
BFGS:   14 09:19:03        2.565966        0.1906
BFGS:   15 09:19:03        2.559606        0.1594
BFGS:   16 09:19:03        2.555268        0.1418
BFGS:   17 09:19:03        2.549099        0.1178
BFGS:   18 09:19:03        2.543604        0.0970
BFGS:   19 09:19:03        2.540402        0.0760
BFGS:   20 09:19:03        2.538879        0.0771
BFGS:   21 09:19:03        2.537894        0.0680
BFGS:   22 09:19:03        2.536839        0.0526
BFGS:   23 09:19:03        2.535623        0.0493
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_CO2_Au111_False_0
Global seed for "test/constraints/test_fixbondlength_CO2_Au111.py:test_CO2_Au111" was: 1323
constraints/test_fixbondlength_CO2_Au111.py::test_CO2_Au111[True]       Step     Time          Energy         fmax
BFGS:    0 09:19:03        7.561109       16.2844
BFGS:    1 09:19:03        4.104352        4.1368
BFGS:    2 09:19:03        3.432328        1.7581
BFGS:    3 09:19:04        3.062728        0.8739
BFGS:    4 09:19:04        2.925419        0.7643
BFGS:    5 09:19:04        2.828797        0.8169
BFGS:    6 09:19:04        2.763324        0.7072
BFGS:    7 09:19:04        2.723496        0.5612
BFGS:    8 09:19:04        2.692812        0.3686
BFGS:    9 09:19:04        2.664246        0.4199
BFGS:   10 09:19:04        2.642732        0.3838
BFGS:   11 09:19:04        2.623490        0.3447
BFGS:   12 09:19:04        2.598798        0.3181
BFGS:   13 09:19:04        2.577867        0.2432
BFGS:   14 09:19:04        2.565966        0.1906
BFGS:   15 09:19:04        2.559606        0.1594
BFGS:   16 09:19:05        2.555268        0.1418
BFGS:   17 09:19:05        2.549099        0.1178
BFGS:   18 09:19:05        2.543604        0.0970
BFGS:   19 09:19:05        2.540402        0.0760
BFGS:   20 09:19:05        2.538879        0.0771
BFGS:   21 09:19:05        2.537894        0.0680
BFGS:   22 09:19:05        2.536839        0.0526
BFGS:   23 09:19:05        2.535623        0.0493
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_CO2_Au111_True_0
Global seed for "test/constraints/test_fixbondlength_CO2_Au111.py:test_CO2_Au111" was: 1323
constraints/test_fixbonds.py::test_fixbonds PASSEDGlobal seed for "test/constraints/test_fixbonds.py:test_fixbonds" was: 10361
constraints/test_fixcom.py::test_fixcom       Step     Time          Energy         fmax
BFGS:    0 09:19:05        2.619811        6.7218
BFGS:    1 09:19:05        1.909698        1.1339
BFGS:    2 09:19:05        1.881552        0.3209
BFGS:    3 09:19:05        1.878904        0.0245
PASSEDGlobal seed for "test/constraints/test_fixcom.py:test_fixcom" was: 7938
constraints/test_getindices.py::test_getindices PASSEDGlobal seed for "test/constraints/test_getindices.py:test_getindices" was: 369
constraints/test_hookean.py::test_hookean PASSEDGlobal seed for "test/constraints/test_hookean.py:test_hookean" was: 7475
constraints/test_hookean_pbc.py::test_hookean_pbc PASSEDGlobal seed for "test/constraints/test_hookean_pbc.py:test_hookean_pbc" was: 5873
constraints/test_main.py::test_main PASSEDGlobal seed for "test/constraints/test_main.py:test_main" was: 1114
constraints/test_mirror.py::test_mirror       Step     Time          Energy         fmax
*Force-consistent energies used in optimization.
FIRE:    0 09:19:06        3.609397*       3.3277
FIRE:    1 09:19:06        2.898938*       2.6624
FIRE:    2 09:19:06        2.293080*       1.5360
FIRE:    3 09:19:06        2.228981*       1.5049
FIRE:    4 09:19:06        2.205735*       1.4587
FIRE:    5 09:19:06        2.162441*       1.3650
FIRE:    6 09:19:06        2.105136*       1.2222
FIRE:    7 09:19:06        2.041912*       1.0291
FIRE:    8 09:19:06        1.981574*       0.7878
FIRE:    9 09:19:06        1.931705*       0.5330
FIRE:   10 09:19:06        1.896316*       0.6230
FIRE:   11 09:19:06        1.872996*       0.6304
FIRE:   12 09:19:06        1.861853*       0.4856
FIRE:   13 09:19:06        1.860616*       0.4687
FIRE:   14 09:19:06        1.858319*       0.4353
FIRE:   15 09:19:06        1.855288*       0.3865
FIRE:   16 09:19:06        1.851956*       0.3237
FIRE:   17 09:19:06        1.848799*       0.2487
FIRE:   18 09:19:06        1.846267*       0.1639
FIRE:   19 09:19:06        1.844723*       0.0721
FIRE:   20 09:19:06        1.844416*       0.0524
FIRE:   21 09:19:06        1.844413*       0.0519
FIRE:   22 09:19:06        1.844409*       0.0509
FIRE:   23 09:19:06        1.844402*       0.2836
FIRE:   24 09:19:06        1.844441*       0.2843
FIRE:   25 09:19:06        1.844525*       0.2856
FIRE:   26 09:19:06        1.844655*       0.2872
FIRE:   27 09:19:06        1.844832*       0.2894
FIRE:   28 09:19:06        1.845087*       0.2924
FIRE:   29 09:19:06        1.845442*       0.2965
FIRE:   30 09:19:06        1.845929*       0.3020
FIRE:   31 09:19:06        1.846587*       0.3091
FIRE:   32 09:19:06        1.847465*       0.3182
FIRE:   33 09:19:06        1.848621*       0.0573
FIRE:   34 09:19:06        1.849747*       0.0683
FIRE:   35 09:19:06        1.850813*       0.0710
FIRE:   36 09:19:06        1.851811*       0.0642
FIRE:   37 09:19:06        1.852762*       0.3177
FIRE:   38 09:19:06        1.854299*       0.3081
FIRE:   39 09:19:06        1.856530*       0.3027
FIRE:   40 09:19:06        1.859588*       0.3026
FIRE:   41 09:19:06        1.863661*       0.0502
FIRE:   42 09:19:06        1.867596*       0.2969
FIRE:   43 09:19:06        1.872885*       0.2923
FIRE:   44 09:19:06        1.879745*       0.0579
FIRE:   45 09:19:06        1.886240*       0.2658
FIRE:   46 09:19:06        1.894627*       0.2491
FIRE:   47 09:19:06        1.904885*       0.2461
FIRE:   48 09:19:06        1.916966*       0.0824
FIRE:   49 09:19:06        1.927503*       0.1763
FIRE:   50 09:19:06        1.939186*       0.0527
FIRE:   51 09:19:06        1.939111*       0.1509
FIRE:   52 09:19:06        1.939278*       0.1579
FIRE:   53 09:19:06        1.939780*       0.1722
FIRE:   54 09:19:06        1.940656*       0.0709
FIRE:   55 09:19:06        1.941356*       0.0777
FIRE:   56 09:19:06        1.941849*       0.0600
FIRE:   57 09:19:06        1.942250*       0.1541
FIRE:   58 09:19:06        1.943109*       0.1384
FIRE:   59 09:19:06        1.944378*       0.1319
FIRE:   60 09:19:06        1.946034*       0.1323
FIRE:   61 09:19:06        1.948241*       0.1460
FIRE:   62 09:19:06        1.951085*       0.0742
FIRE:   63 09:19:06        1.953338*       0.1245
FIRE:   64 09:19:06        1.956272*       0.1020
FIRE:   65 09:19:06        1.959289*       0.1073
FIRE:   66 09:19:06        1.962399*       0.0755
FIRE:   67 09:19:06        1.963927*       0.0501
FIRE:   68 09:19:06        1.964258*       0.0332
      Step     Time          Energy         fmax
*Force-consistent energies used in optimization.
FIRE:    0 09:19:06        3.238905*       4.7840
FIRE:    1 09:19:06        2.319618*       3.3980
FIRE:    2 09:19:06        1.710166*       1.4984
FIRE:    3 09:19:06        1.898112*       1.9916
FIRE:    4 09:19:06        1.848627*       1.7846
FIRE:    5 09:19:06        1.762156*       1.4117
FIRE:    6 09:19:06        1.660598*       1.2122
FIRE:    7 09:19:06        1.569882*       0.9297
FIRE:    8 09:19:06        1.512973*       0.5572
FIRE:    9 09:19:06        1.499941*       0.9681
FIRE:   10 09:19:06        1.498588*       0.9488
FIRE:   11 09:19:06        1.495978*       0.9106
FIRE:   12 09:19:06        1.492299*       0.8541
FIRE:   13 09:19:06        1.487814*       0.7799
FIRE:   14 09:19:06        1.482844*       0.6895
FIRE:   15 09:19:06        1.477742*       0.5845
FIRE:   16 09:19:06        1.472862*       0.4674
FIRE:   17 09:19:06        1.468112*       0.3281
FIRE:   18 09:19:06        1.464038*       0.1899
FIRE:   19 09:19:06        1.461207*       0.2033
FIRE:   20 09:19:06        1.459880*       0.2245
FIRE:   21 09:19:06        1.459702*       0.3465
FIRE:   22 09:19:06        1.459547*       0.3398
FIRE:   23 09:19:06        1.459246*       0.3264
FIRE:   24 09:19:06        1.458818*       0.3067
FIRE:   25 09:19:06        1.458290*       0.2811
FIRE:   26 09:19:06        1.457694*       0.2502
FIRE:   27 09:19:06        1.457065*       0.2147
FIRE:   28 09:19:06        1.456439*       0.1755
FIRE:   29 09:19:06        1.455791*       0.1295
FIRE:   30 09:19:06        1.455172*       0.1031
FIRE:   31 09:19:06        1.454642*       0.0919
FIRE:   32 09:19:06        1.454246*       0.0981
FIRE:   33 09:19:06        1.453973*       0.1281
FIRE:   34 09:19:06        1.453732*       0.1743
FIRE:   35 09:19:06        1.453373*       0.2039
FIRE:   36 09:19:06        1.452737*       0.2108
FIRE:   37 09:19:06        1.451722*       0.1905
FIRE:   38 09:19:06        1.450362*       0.1421
FIRE:   39 09:19:06        1.448861*       0.1137
FIRE:   40 09:19:06        1.447466*       0.1168
FIRE:   41 09:19:06        1.446108*       0.1348
FIRE:   42 09:19:06        1.444325*       0.1476
FIRE:   43 09:19:06        1.441871*       0.0947
FIRE:   44 09:19:06        1.439240*       0.0662
FIRE:   45 09:19:06        1.436841*       0.1211
FIRE:   46 09:19:06        1.433927*       0.1229
FIRE:   47 09:19:06        1.430381*       0.0909
FIRE:   48 09:19:06        1.426740*       0.1469
FIRE:   49 09:19:06        1.421892*       0.0896
FIRE:   50 09:19:06        1.415974*       0.1520
FIRE:   51 09:19:06        1.407189*       0.1083
FIRE:   52 09:19:06        1.395217*       0.1717
FIRE:   53 09:19:06        1.378742*       0.1483
FIRE:   54 09:19:06        1.357484*       0.1644
FIRE:   55 09:19:06        1.333082*       0.1917
FIRE:   56 09:19:06        1.311955*       0.2919
FIRE:   57 09:19:06        1.328296*       1.4151
FIRE:   58 09:19:06        1.299347*       0.3527
FIRE:   59 09:19:06        1.297504*       0.2633
FIRE:   60 09:19:06        1.295607*       0.1351
FIRE:   61 09:19:06        1.295098*       0.2228
FIRE:   62 09:19:06        1.294982*       0.2082
FIRE:   63 09:19:06        1.294777*       0.1804
FIRE:   64 09:19:06        1.294526*       0.1420
FIRE:   65 09:19:06        1.294276*       0.0973
FIRE:   66 09:19:06        1.294060*       0.0645
FIRE:   67 09:19:06        1.293883*       0.0792
FIRE:   68 09:19:06        1.293719*       0.0886
FIRE:   69 09:19:06        1.293512*       0.0912
FIRE:   70 09:19:06        1.293223*       0.0928
FIRE:   71 09:19:06        1.292838*       0.0888
FIRE:   72 09:19:06        1.292385*       0.0730
FIRE:   73 09:19:06        1.291906*       0.0692
FIRE:   74 09:19:06        1.291362*       0.1029
FIRE:   75 09:19:06        1.290626*       0.1094
FIRE:   76 09:19:06        1.289649*       0.0718
FIRE:   77 09:19:06        1.288553*       0.0588
FIRE:   78 09:19:06        1.287329*       0.0799
FIRE:   79 09:19:06        1.285811*       0.0660
FIRE:   80 09:19:06        1.284113*       0.0880
FIRE:   81 09:19:06        1.282069*       0.0793
FIRE:   82 09:19:06        1.279761*       0.0574
FIRE:   83 09:19:06        1.277175*       0.0436
PASSEDGlobal seed for "test/constraints/test_mirror.py:test_mirror" was: 10786
constraints/test_negativeindex.py::test_negativeindex PASSEDGlobal seed for "test/constraints/test_negativeindex.py:test_negativeindex" was: 3450
constraints/test_parameteric_constr.py::test_parameteric_constr PASSEDGlobal seed for "test/constraints/test_parameteric_constr.py:test_parameteric_constr" was: 1336
constraints/test_repeat_FixAtoms.py::test_repeat_FixAtoms PASSEDGlobal seed for "test/constraints/test_repeat_FixAtoms.py:test_repeat_FixAtoms" was: 8442
constraints/test_setpos.py::test_setpos PASSEDGlobal seed for "test/constraints/test_setpos.py:test_setpos" was: 6135
db/test_cli.py::test_insert_into PASSEDGlobal seed for "test/db/test_cli.py:test_insert_into" was: 5149
db/test_cli.py::test_analyse carrots: 2
oranges: 1
PASSEDGlobal seed for "test/db/test_cli.py:test_analyse" was: 1627
db/test_cli.py::test_show_values oranges: [42..42]
carrots: [3..4]
PASSEDGlobal seed for "test/db/test_cli.py:test_show_values" was: 1080
db/test_cli.py::test_table id|age|user     |formula|natoms|pbc|volume|charge|  mass
 1| 2s|mockbuild|       |     0|FFF|      | 0.000| 0.000
 2| 2s|mockbuild|H2O    |     3|FFF|      | 0.000|18.015
 3| 2s|mockbuild|Ti2    |     2|TTT|35.306| 0.000|95.734
Rows: 3
Keys: carrots, oranges
PASSEDGlobal seed for "test/db/test_cli.py:test_table" was: 1885
db/test_cli.py::test_table_csv id, age, user, formula, natoms, pbc, volume, charge, mass
1, 3s, mockbuild, , 0, FFF, None, 0.0, 0.0
2, 3s, mockbuild, H2O, 3, FFF, None, 0.0, 18.015
3, 3s, mockbuild, Ti2, 2, TTT, 35.30589113366309, 0.0, 95.734
PASSEDGlobal seed for "test/db/test_cli.py:test_table_csv" was: 2091
db/test_cli.py::test_long Ti2:
Unit cell in Ang:
axis|periodic|          x|          y|          z|    length|     angle
   1|     yes|      2.950|      0.000|      0.000|     2.950|    90.000
   2|     yes|     -1.475|      2.555|      0.000|     2.950|    90.000
   3|     yes|      0.000|      0.000|      4.685|     4.685|   120.000
Key     | Description | Value
id      |             | 3
ctime   | Age         | 2.940 seconds
mass    |             | 95.734
carrots |             | 4
oranges |             | 42
PASSEDGlobal seed for "test/db/test_cli.py:test_long" was: 2580
db/test_db.py::test_db[json] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_db_json_0
Global seed for "test/db/test_db.py:test_db" was: 3607
db/test_db.py::test_db[db] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_db_db_0
Global seed for "test/db/test_db.py:test_db" was: 3607
db/test_db.py::test_db[postgresql] SKIPPED (could not import 'psycop...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_db_postgresql_0
Global seed for "test/db/test_db.py:test_db" was: 3607
db/test_db.py::test_db[mysql] SKIPPED (could not import 'pymysql': N...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_db_mysql_0
Global seed for "test/db/test_db.py:test_db" was: 3607
db/test_db.py::test_db[mariadb] SKIPPED (could not import 'pymysql':...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_db_mariadb_0
Global seed for "test/db/test_db.py:test_db" was: 3607
db/test_db2.py::test_db2[testase.json] testase.json <ase.db.jsondb.JSONDatabase object at 0x7fd8daf8a550>
[[-1.02091976 -1.02091976  1.02091976]
 [ 0.          0.          0.        ]
 [-0.08567872 -0.08567872  0.08567872]
 [ 1.10659849 -1.10659849 -1.10659849]
 [-1.10659849  1.10659849 -1.10659849]]
bla-bla [1. +0.5j 0.5+0.j ]
<AtomsRow: formula=CH4, keys=a>
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_db2_testase_json_0
Global seed for "test/db/test_db2.py:test_db2" was: 2389
db/test_db2.py::test_db2[testase.db] testase.db <ase.db.sqlite.SQLite3Database object at 0x7fd8daf89910>
[[-1.02091976 -1.02091976  1.02091976]
 [ 0.          0.          0.        ]
 [-0.08567872 -0.08567872  0.08567872]
 [ 1.10659849 -1.10659849 -1.10659849]
 [-1.10659849  1.10659849 -1.10659849]]
bla-bla [1. +0.5j 0.5+0.j ]
<AtomsRow: formula=CH4, keys=>
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_db2_testase_db_0
Global seed for "test/db/test_db2.py:test_db2" was: 2389
db/test_db2.py::test_db2[postgresql] SKIPPED (could not import 'psyc...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_db2_postgresql_0
Global seed for "test/db/test_db2.py:test_db2" was: 2389
db/test_db2.py::test_db2[mysql] SKIPPED (could not import 'pymysql':...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_db2_mysql_0
Global seed for "test/db/test_db2.py:test_db2" was: 2389
db/test_db2.py::test_db2[mariadb] SKIPPED (could not import 'pymysql...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_db2_mariadb_0
Global seed for "test/db/test_db2.py:test_db2" was: 2389
db/test_db2.py::test_sqlite_user PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_sqlite_user0
Global seed for "test/db/test_db2.py:test_sqlite_user" was: 2410
db/test_db_web.py::test_add_columns SKIPPED (could not import 'flask...)Global seed for "test/db/test_db_web.py:test_add_columns" was: 9598
db/test_db_web.py::test_favicon SKIPPED (could not import 'flask': N...)
db/test_db_web.py::test_db_web SKIPPED (could not import 'flask': No...)
db/test_db_web.py::test_paging SKIPPED (could not import 'flask': No...)Global seed for "test/db/test_db_web.py:test_paging" was: 11779
db/test_jsondb.py::test_jsondb PASSEDGlobal seed for "test/db/test_jsondb.py:test_jsondb" was: 10685
db/test_metadata.py::test_metadata[md.json] md.json
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_metadata_md_json_0
Global seed for "test/db/test_metadata.py:test_metadata" was: 2226
db/test_metadata.py::test_metadata[md.db] md.db
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_metadata_md_db_0
Global seed for "test/db/test_metadata.py:test_metadata" was: 2226
db/test_mysql.py::test_connect SKIPPED (could not import 'pymysql': ...)
db/test_mysql.py::test_write_read SKIPPED (could not import 'pymysql...)
db/test_mysql.py::test_write_read_with_calculator SKIPPED (could not...)
db/test_mysql.py::test_update SKIPPED (could not import 'pymysql': N...)
db/test_mysql.py::test_delete SKIPPED (could not import 'pymysql': N...)
db/test_mysql.py::test_read_write_bool_key_value_pair SKIPPED (could...)
db/test_o2b2o.py::test_o2b2o 1.0
b'\x08\x00\x00\x00\x00\x00\x00\x001.0'
{'a': array([[0., 0.],
       [0., 0.]], dtype=float32), 'b': array([], shape=(0, 2), dtype=int64)}
b'\x18\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00{"a":{"__ndarray__":[[2,2],"float32",8]},"b":{"__ndarray__":[[0,2],"int64",24]}}'
['a', 42, True, None, nan, inf, 1j]
b'\x08\x00\x00\x00\x00\x00\x00\x00["a",42,true,null,NaN,Infinity,{"__complex__":[0.0,1.0]}]'
Cell([1.0, 1.0, 1.0])
b'P\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\xf0?\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\xf0?\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\xf0?{"array":{"__ndarray__":[[3,3],"float64",8]},"__ase_objtype__":"cell"}'
{'a': {'b': {'c': array([1., 1., 1.])}}}
b' \x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\xf0?\x00\x00\x00\x00\x00\x00\xf0?\x00\x00\x00\x00\x00\x00\xf0?{"a":{"b":{"c":{"__ndarray__":[[3],"float64",8]}}}}'
PASSEDGlobal seed for "test/db/test_o2b2o.py:test_o2b2o" was: 4871
db/test_sql_db_ext_tables.py::test_sql_db_ext_tables SKIPPED (could ...)
db/test_sqlite.py::test_delete_vacuum PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_delete_vacuum0
Global seed for "test/db/test_sqlite.py:test_delete_vacuum" was: 8954
db/test_sqlite.py::test_delete_vacuum_context PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_delete_vacuum_context0
Global seed for "test/db/test_sqlite.py:test_delete_vacuum_context" was: 5852
db/test_sqlite.py::test_update_vacuum PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_update_vacuum0
Global seed for "test/db/test_sqlite.py:test_update_vacuum" was: 2295
db/test_sqlite.py::test_update_vacuum_context PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_update_vacuum_context0
Global seed for "test/db/test_sqlite.py:test_update_vacuum_context" was: 5546
db/test_table.py::test_hide_empty_columns PASSEDGlobal seed for "test/db/test_table.py:test_hide_empty_columns" was: 4787
db/test_update.py::test_db[x.json] x.json
2 {'a': 1, 'b': 2}
2 {'a': 1, 'b': 2} [1]
0.005530357360839844
0.005316734313964844
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_db_x_json_0
Global seed for "test/db/test_update.py:test_db" was: 8511
db/test_update.py::test_db[x.db] x.db
2 {'a': 1, 'b': 2}
2 {'a': 1, 'b': 2} [1]
0.003983497619628906
0.001386880874633789
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_db_x_db_0
Global seed for "test/db/test_update.py:test_db" was: 8511
dft/test_bandgap.py::test_bandgap spin=0: Gap: 2.000 eV
Transition (v -> c):
  (s=0, k=0, n=1, [0.00, 0.00, 0.00]) -> (s=0, k=0, n=2, [0.00, 0.00, 0.00])
2.0 (0, 0, 1) (0, 0, 2)
spin=1: Gap: 11.000 eV
Transition (v -> c):
  (s=1, k=0, n=0, [0.00, 0.00, 0.00]) -> (s=1, k=0, n=1, [0.00, 0.00, 0.00])
11.0 (1, 0, 0) (1, 0, 1)
Gap: 1.000 eV
Transition (v -> c):
  (s=0, k=0, n=1, [0.00, 0.00, 0.00]) -> (s=1, k=0, n=1, [0.00, 0.00, 0.00])
1.0 (0, 0, 1) (1, 0, 1)
spin=0: Direct gap: 2.000 eV
Transition at: (s=0, k=0, n=1, [0.00, 0.00, 0.00])
2.0 (0, 0, 1) (0, 0, 2)
spin=1: Direct gap: 11.000 eV
Transition at: (s=1, k=0, n=0, [0.00, 0.00, 0.00])
11.0 (1, 0, 0) (1, 0, 1)
Direct gap: 1.000 eV
Transition at: (s=0->1, k=0, n=1, [0.00, 0.00, 0.00])
1.0 (0, 0, 1) (1, 0, 1)
PASSEDGlobal seed for "test/dft/test_bandgap.py:test_bandgap" was: 9436
dft/test_bee.py::test_bee[mBEEF] mbeef ensemble started
mbeef ensemble finished
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_bee_mBEEF_0
Global seed for "test/dft/test_bee.py:test_bee" was: 9887
dft/test_bee.py::test_bee[BEEF-vdW] beefvdw ensemble started
beefvdw ensemble finished
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_bee_BEEF_vdW_0
Global seed for "test/dft/test_bee.py:test_bee" was: 9887
dft/test_bee.py::test_bee[mBEEF-vdW] mbeefvdw ensemble started
mbeefvdw ensemble finished
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_bee_mBEEF_vdW_0
Global seed for "test/dft/test_bee.py:test_bee" was: 9887
dft/test_dos.py::test_dos PASSEDGlobal seed for "test/dft/test_dos.py:test_dos" was: 10106
dft/test_hex.py::test_hex HEX(a=3, c=3)
[ 0.11111111 -0.19245009  0.        ]
HEX(a=3, c=3)
[0.11111111 0.19245009 0.        ]
HEX(a=3, c=3)
[2.22222222e-01 3.56104201e-18 0.00000000e+00]
PASSEDGlobal seed for "test/dft/test_hex.py:test_hex" was: 3231
dft/test_interpolate.py::test_interpolate [0.  0.5]
PASSEDGlobal seed for "test/dft/test_interpolate.py:test_interpolate" was: 8319
dft/test_kpt_density_monkhorst_pack.py::test_mp PASSEDGlobal seed for "test/dft/test_kpt_density_monkhorst_pack.py:test_mp" was: 5047
dft/test_kpts_size_offsets.py::test_gamma_pt PASSEDGlobal seed for "test/dft/test_kpts_size_offsets.py:test_gamma_pt" was: 6890
dft/test_kpts_size_offsets.py::test_222 PASSEDGlobal seed for "test/dft/test_kpts_size_offsets.py:test_222" was: 12202
dft/test_kpts_size_offsets.py::test_shape_from_density PASSEDGlobal seed for "test/dft/test_kpts_size_offsets.py:test_shape_from_density" was: 1421
dft/test_kpts_size_offsets.py::test_shape_from_size PASSEDGlobal seed for "test/dft/test_kpts_size_offsets.py:test_shape_from_size" was: 225
dft/test_kpts_size_offsets.py::test_gamma_centering_from_density PASSEDGlobal seed for "test/dft/test_kpts_size_offsets.py:test_gamma_centering_from_density" was: 3602
dft/test_kpts_size_offsets.py::test_gamma_centering_from_size PASSEDGlobal seed for "test/dft/test_kpts_size_offsets.py:test_gamma_centering_from_size" was: 321
dft/test_kpts_size_offsets.py::test_antigamma_centering_from_default_111 PASSEDGlobal seed for "test/dft/test_kpts_size_offsets.py:test_antigamma_centering_from_default_111" was: 898
dft/test_kpts_size_offsets.py::test_density_with_irregular_shape PASSEDGlobal seed for "test/dft/test_kpts_size_offsets.py:test_density_with_irregular_shape" was: 11633
dft/test_monoclinic.py::test_monoclinic 8.881784197001252e-16
4.440892098500626e-16
6.394884621840902e-14
0.0
0.0
0.0
8.881784197001252e-16
4.440892098500626e-16
7.105427357601002e-15
PASSEDGlobal seed for "test/dft/test_monoclinic.py:test_monoclinic" was: 12333
emt/test_emt.py::test_emt -0.00668876868578927
877.6476770054395
0 0.0
1 7.973137758909843e-07 0.7973137758909843
2 3.189249021318119e-06 0.7973122553295298
3 7.175787427371461e-06 0.7973097141523845
0.3645897372802498
0.36448861230147767
0.36448861230147767
PASSEDGlobal seed for "test/emt/test_emt.py:test_emt" was: 11484
emt/test_emt1.py::test_emt1 5.7974965509469705
      Step     Time          Energy         fmax
BFGS:    0 09:19:20        5.797497        1.5458
2.545584412271571
BFGS:    1 09:19:20        5.739475        1.6122
2.545584412271571
BFGS:    2 09:19:20        5.123872        2.0238
2.545584412271774
BFGS:    3 09:19:20        4.557873        0.9857
2.545584412271571
BFGS:    4 09:19:20        4.903411        4.4147
2.545584412271571
BFGS:    5 09:19:20        4.517189        0.4519
2.545584412271571
BFGS:    6 09:19:20        4.509839        0.1838
2.545584412271571
BFGS:    7 09:19:20        4.508525        0.0161
2.545584412271571
BFGS:    8 09:19:20        4.508513        0.0038
2.5455844122715914
BFGS:    9 09:19:20        4.508513        0.0039
2.5455844122715727
BFGS:   10 09:19:20        4.508454        0.0205
2.5455844122715714
BFGS:   11 09:19:20        4.508280        0.0447
2.5455844122715714
BFGS:   12 09:19:20        4.507686        0.1468
2.545584412271571
BFGS:   13 09:19:20        4.507631        0.0107
2.545584412271576
BFGS:   14 09:19:20        4.507159        0.0404
2.545584412271572
BFGS:   15 09:19:20        4.517127        0.5722
2.545584412271571
BFGS:   16 09:19:20        4.506935        0.0406
2.5455844122716336
BFGS:   17 09:19:20        4.506726        0.0433
2.545584412271601
BFGS:   18 09:19:20        4.509542        0.4380
2.5455844122715705
BFGS:   19 09:19:20        4.505999        0.0216
2.545584412271571
BFGS:   20 09:19:20        4.505364        0.0377
2.5455844122715714
BFGS:   21 09:19:20        4.507901        0.4869
2.5455844122715705
BFGS:   22 09:19:20        4.504093        0.0301
2.545584412271571
BFGS:   23 09:19:20        4.502908        0.0655
2.545584412271571
BFGS:   24 09:19:20        4.491136        0.1951
2.545584412271571
BFGS:   25 09:19:20        4.457112        0.1235
2.5455844122715705
BFGS:   26 09:19:20        4.393235        0.9291
2.545584412271571
BFGS:   27 09:19:20        4.326097        1.9616
2.5455844122715714
BFGS:   28 09:19:20        4.111876        2.1936
2.545584412271571
BFGS:   29 09:19:20        4.051997        1.5563
2.5455844122716176
BFGS:   30 09:19:20        3.972470        1.6419
2.545584412271572
BFGS:   31 09:19:20        3.833385        0.8523
2.5455844122715705
BFGS:   32 09:19:20        3.785993        0.8723
2.545584412271571
BFGS:   33 09:19:20        3.759071        0.5599
2.5455844122715714
BFGS:   34 09:19:20        3.732302        0.2424
2.5455844122715803
BFGS:   35 09:19:20        3.729961        0.0415
2.545584412271571
BFGS:   36 09:19:20        3.729851        0.0022
2.5455844122716833
BFGS:   37 09:19:20        3.729851        0.0001
2.545584412271571
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_emt10
Global seed for "test/emt/test_emt1.py:test_emt1" was: 2584
emt/test_emt2.py::test_emt2 3.8 4.2359775070555274 8.035977507055527 0.0
PASSEDGlobal seed for "test/emt/test_emt2.py:test_emt2" was: 10371
emt/test_emt_h3o2m.py::test_emt_h3o2m 0.977 5.0636350506099035
0.977 5.0636350506099035
0.977 5.0636350506099035
0.977 5.0636350506099035
1.7630000000000003 5.063635050609905
                Step[ FC]     Time          Energy          fmax
*Force-consistent energies used in optimization.
BFGSLineSearch:    0[  0] 09:19:21        5.063635*       7.1072
BFGSLineSearch:    1[  1] 09:19:21        4.102653*       1.6026
BFGSLineSearch:    2[  2] 09:19:21        4.041267*       0.8961
BFGSLineSearch:    3[  4] 09:19:21        4.027944*       0.1866
BFGSLineSearch:    4[  5] 09:19:21        4.024631*       0.1183
BFGSLineSearch:    5[  7] 09:19:21        4.023530*       0.0460
BFGSLineSearch:    6[  8] 09:19:21        4.023484*       0.0079
                Step[ FC]     Time          Energy          fmax
*Force-consistent energies used in optimization.
BFGSLineSearch:    0[  0] 09:19:21        5.063635*       7.1072
BFGSLineSearch:    1[  1] 09:19:21        4.102653*       1.6026
BFGSLineSearch:    2[  2] 09:19:21        4.041267*       0.8961
BFGSLineSearch:    3[  4] 09:19:21        4.027944*       0.1866
BFGSLineSearch:    4[  5] 09:19:21        4.024631*       0.1183
BFGSLineSearch:    5[  7] 09:19:21        4.023530*       0.0460
BFGSLineSearch:    6[  8] 09:19:21        4.023484*       0.0079
1.1706168510398165 4.023483500209771
1.2703049395616564 4.047413739841406
1.3699999999999997 4.065958951845237
1.469700613565274 4.0474137398414065
1.5694057219269895 4.023483500209775
      Step     Time          Energy         fmax
BFGS:    0 09:19:21        4.065959        0.2936
BFGS:    1 09:19:21        4.064090        0.1513
BFGS:    2 09:19:21        4.063431        0.0139
1.1706168510398165 4.023483500209771
1.2699362177879356 4.045907403461601
1.3699999999999997 4.063431182978533
1.4700676518635059 4.045907403461602
1.5694057219269895 4.023483500209775
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_emt_h3o2m0
Global seed for "test/emt/test_emt_h3o2m.py:test_emt_h3o2m" was: 5752
emt/test_emt_stress.py::test_emt_stress Analytical stress:
 [ 0.02317499  0.03522764  0.01948774 -0.01271285  0.05018074 -0.0024057 ]
Numerical stress:
 [ 0.02317499  0.03522764  0.01948774 -0.01271285  0.05018074 -0.0024057 ]
Percent error in stress:
 [-2.02188479e-07 -2.72286257e-07 -3.44174128e-07  5.36424988e-07
  2.89764996e-07  6.35660991e-07]
PASSEDGlobal seed for "test/emt/test_emt_stress.py:test_emt_stress" was: 4756
filter/test_cellfilter.py::test_pressure[UnitCellFilter] SKIPPED (co...)
filter/test_cellfilter.py::test_pressure[ExpCellFilter] SKIPPED (cou...)
filter/test_cellfilter.py::test_cellfilter[UnitCellFilter] SKIPPED (...)
filter/test_cellfilter.py::test_cellfilter[ExpCellFilter] SKIPPED (c...)
filter/test_cellfilter.py::test_unitcellfilter SKIPPED (could not im...)
filter/test_cellfilter.py::test_unitcellfilter_hcp SKIPPED (could no...)
filter/test_filter.py::test_filter PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_filter0
Global seed for "test/filter/test_filter.py:test_filter" was: 11339
filter/test_strain.py::test_strain_fcc SKIPPED (could not import 'as...)
filter/test_strain.py::test_strain_hcp SKIPPED (could not import 'as...)
filter/test_strain_emt.py::test_strain_emt        Step     Time          Energy         fmax
MDMin:    0 09:19:21       -0.006689        0.1414
MDMin:    1 09:19:21       -0.006690        0.1412
MDMin:    2 09:19:21       -0.006693        0.1406
PASSEDGlobal seed for "test/filter/test_strain_emt.py:test_strain_emt" was: 4534
fio/test_abinit.py::test_abinit_inputfile_roundtrip PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_abinit_inputfile_roundtri0
Global seed for "test/fio/test_abinit.py:test_abinit_inputfile_roundtrip" was: 10477
fio/test_abinit.py::test_read_abinit_output PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_abinit_output0
Global seed for "test/fio/test_abinit.py:test_read_abinit_output" was: 11601
fio/test_abinit.py::test_parse_eig_with_fermiheader PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_eig_with_fermiheade0
Global seed for "test/fio/test_abinit.py:test_parse_eig_with_fermiheader" was: 9913
fio/test_abinit.py::test_parse_eig_without_fermiheader PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_eig_without_fermihe0
Global seed for "test/fio/test_abinit.py:test_parse_eig_without_fermiheader" was: 2369
fio/test_abinit.py::test_match_kpt_header PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_match_kpt_header0
Global seed for "test/fio/test_abinit.py:test_match_kpt_header" was: 6426
fio/test_ace.py::test_acemolecule_output PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_acemolecule_output0
Global seed for "test/fio/test_ace.py:test_acemolecule_output" was: 1810
fio/test_ace.py::test_acemolecule_input PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_acemolecule_input0
Global seed for "test/fio/test_ace.py:test_acemolecule_input" was: 2219
fio/test_aims_io.py::test_cartesian PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_cartesian0
Global seed for "test/fio/test_aims_io.py:test_cartesian" was: 661
fio/test_aims_io.py::test_scaled PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_scaled0
Global seed for "test/fio/test_aims_io.py:test_scaled" was: 2908
fio/test_aims_io.py::test_scaled_wrapped PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_scaled_wrapped0
Global seed for "test/fio/test_aims_io.py:test_scaled_wrapped" was: 3194
fio/test_aims_io.py::test_parse_geometry_lines PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_geometry_lines0
Global seed for "test/fio/test_aims_io.py:test_parse_geometry_lines" was: 2779
fio/test_animate.py::test_animate SKIPPED (could not import 'matplot...)
fio/test_atoms_bytes.py::test_format PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_format0
Global seed for "test/fio/test_atoms_bytes.py:test_format" was: 1323
fio/test_cfg.py::test_cfg PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_cfg0
Global seed for "test/fio/test_cfg.py:test_cfg" was: 1264
fio/test_cif.py::test_cif PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_cif0
Global seed for "test/fio/test_cif.py:test_cif" was: 7392
fio/test_cif.py::test_cif_icsd PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_cif_icsd0
Global seed for "test/fio/test_cif.py:test_cif_icsd" was: 7228
fio/test_cif.py::test_cif_loop_keys PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_cif_loop_keys0
Global seed for "test/fio/test_cif.py:test_cif_loop_keys" was: 3844
fio/test_cif.py::test_cif_writer_label_numbers PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_cif_writer_label_numbers0
Global seed for "test/fio/test_cif.py:test_cif_writer_label_numbers" was: 3349
fio/test_cif.py::test_cif_labels {'spacegroup': Spacegroup(1, setting=1), 'unit_cell': 'conventional', '_chemical_formula_structural': 'Na4Cl4I8', '_chemical_formula_sum': 'Na4 Cl4 I8', '_cell_length_a': 5.5, '_cell_length_b': 5.5, '_cell_length_c': 5.5, '_cell_angle_alpha': 90, '_cell_angle_beta': 90, '_cell_angle_gamma': 90, '_space_group_name_h-m_alt': 'P 1', '_space_group_it_number': 1, '_space_group_symop_operation_xyz': ['x, y, z'], '_atom_site_type_symbol': ['Na', 'Na', 'Na', 'Na', 'Cl', 'Cl', 'Cl', 'Cl', 'I', 'I', 'I', 'I', 'I', 'I', 'I', 'I', 'K', 'K', 'K', 'K'], '_atom_site_label': ['label0', 'label1', 'label2', 'label3', 'label4', 'label5', 'label6', 'label7', 'label8', 'label9', 'label10', 'label11', 'label12', 'label13', 'label14', 'label15', 'label16', 'label17', 'label18', 'label19'], '_atom_site_symmetry_multiplicity': [1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0], '_atom_site_fract_x': [0.0, 0.0, 0.5, 0.5, 0.5, 0.5, 0.0, 0.0, 0.25, 0.75, 0.75, 0.25, 0.75, 0.25, 0.25, 0.75, 0.0, 0.0, 0.5, 0.5], '_atom_site_fract_y': [0.0, 0.5, 0.0, 0.5, 0.5, 0.0, 0.5, 0.0, 0.25, 0.75, 0.75, 0.25, 0.25, 0.75, 0.75, 0.25, 0.0, 0.5, 0.0, 0.5], '_atom_site_fract_z': [0.0, 0.5, 0.5, 0.0, 0.5, 0.0, 0.0, 0.5, 0.25, 0.75, 0.25, 0.75, 0.75, 0.25, 0.75, 0.25, 0.0, 0.5, 0.5, 0.0], '_atom_site_occupancy': [0.75, 0.75, 0.75, 0.75, 0.3, 0.3, 0.3, 0.3, 0.5, 0.5, 0.5, 0.5, 0.5, 0.5, 0.5, 0.5, 0.25, 0.25, 0.25, 0.25], 'occupancy': {'0': {'Na': 0.75, 'K': 0.25}, '1': {'Na': 0.75, 'K': 0.25}, '2': {'Na': 0.75, 'K': 0.25}, '3': {'Na': 0.75, 'K': 0.25}, '4': {'Cl': 0.3}, '5': {'Cl': 0.3}, '6': {'Cl': 0.3}, '7': {'Cl': 0.3}, '8': {'I': 0.5}, '9': {'I': 0.5}, '10': {'I': 0.5}, '11': {'I': 0.5}, '12': {'I': 0.5}, '13': {'I': 0.5}, '14': {'I': 0.5}, '15': {'I': 0.5}, '16': {'K': 0.25, 'Na': 0.75}, '17': {'K': 0.25, 'Na': 0.75}, '18': {'K': 0.25, 'Na': 0.75}, '19': {'K': 0.25, 'Na': 0.75}}}
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_cif_labels0
Global seed for "test/fio/test_cif.py:test_cif_labels" was: 8904
fio/test_cif.py::test_cifloop {'_eggs': [0, 1, 2, 3], '_potatoes': [1.3, 7.1, -1.0, 0.0]}
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_cifloop0
Global seed for "test/fio/test_cif.py:test_cifloop" was: 12072
fio/test_cif.py::test_empty_or_atomless[] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_empty_or_atomless__0
Global seed for "test/fio/test_cif.py:test_empty_or_atomless" was: 10290
fio/test_cif.py::test_empty_or_atomless[data_dummy] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_empty_or_atomless_data_du0
Global seed for "test/fio/test_cif.py:test_empty_or_atomless" was: 10290
fio/test_cif.py::test_empty_or_atomless_cifblock PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_empty_or_atomless_cifbloc0
Global seed for "test/fio/test_cif.py:test_empty_or_atomless_cifblock" was: 9461
fio/test_cif.py::test_symbols_questionmark PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_symbols_questionmark0
Global seed for "test/fio/test_cif.py:test_symbols_questionmark" was: 6580
fio/test_cif.py::test_bad_occupancies PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_bad_occupancies0
Global seed for "test/fio/test_cif.py:test_bad_occupancies" was: 1951
fio/test_cif.py::test_spacegroup_named_setting[hexagonal-1] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_spacegroup_named_setting_0
Global seed for "test/fio/test_cif.py:test_spacegroup_named_setting" was: 3208
fio/test_cif.py::test_spacegroup_named_setting[trigonal-2] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_spacegroup_named_setting_1
Global seed for "test/fio/test_cif.py:test_spacegroup_named_setting" was: 3208
fio/test_cif.py::test_spacegroup_named_setting[rhombohedral-2] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_spacegroup_named_setting_2
Global seed for "test/fio/test_cif.py:test_spacegroup_named_setting" was: 3208
fio/test_cif.py::test_cif_roundtrip_periodic PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_cif_roundtrip_periodic0
Global seed for "test/fio/test_cif.py:test_cif_roundtrip_periodic" was: 2368
fio/test_cif.py::test_cif_roundtrip_nonperiodic PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_cif_roundtrip_nonperiodic0
Global seed for "test/fio/test_cif.py:test_cif_roundtrip_nonperiodic" was: 4973
fio/test_cif.py::test_cif_missingvector PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_cif_missingvector0
Global seed for "test/fio/test_cif.py:test_cif_missingvector" was: 5962
fio/test_cif.py::test_cif_roundtrip_mixed PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_cif_roundtrip_mixed0
Global seed for "test/fio/test_cif.py:test_cif_roundtrip_mixed" was: 763
fio/test_cif.py::test_loop_with_space PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_loop_with_space0
Global seed for "test/fio/test_cif.py:test_loop_with_space" was: 6401
fio/test_cifblock.py::test_parse_cifloop_simple PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_cifloop_simple0
Global seed for "test/fio/test_cifblock.py:test_parse_cifloop_simple" was: 95
fio/test_cifblock.py::test_parse_cifloop_warn_duplicate_header PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_cifloop_warn_duplic0
Global seed for "test/fio/test_cifblock.py:test_parse_cifloop_warn_duplicate_header" was: 8268
fio/test_cifblock.py::test_parse_cifloop_incomplete PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_cifloop_incomplete0
Global seed for "test/fio/test_cifblock.py:test_parse_cifloop_incomplete" was: 3159
fio/test_cifblock.py::test_cifloop_roundtrip hmm loop_
  _potatoes
  _eggs
   2.50000   1
   3.00000   2
  -1.00000   3
''
'  -1.00000   3'
'   3.00000   2'
'   2.50000   1'
'  _eggs'
'  _potatoes'
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_cifloop_roundtrip0
Global seed for "test/fio/test_cifblock.py:test_cifloop_roundtrip" was: 862
fio/test_cifblock.py::test_repr PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_repr0
Global seed for "test/fio/test_cifblock.py:test_repr" was: 9857
fio/test_cifblock.py::test_mapping PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_mapping0
Global seed for "test/fio/test_cifblock.py:test_mapping" was: 8451
fio/test_cifblock.py::test_various PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_various0
Global seed for "test/fio/test_cifblock.py:test_various" was: 1999
fio/test_cifblock.py::test_deuterium PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_deuterium0
Global seed for "test/fio/test_cifblock.py:test_deuterium" was: 1700
fio/test_cml.py::test_ethane PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ethane0
Global seed for "test/fio/test_cml.py:test_ethane" was: 4829
fio/test_cml.py::test_rutile PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_rutile0
Global seed for "test/fio/test_cml.py:test_rutile" was: 107
fio/test_compression.py::test_get_compression PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_get_compression0
Global seed for "test/fio/test_compression.py:test_get_compression" was: 3492
fio/test_compression.py::test_compression_write_single[gz] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_compression_write_single_0
Global seed for "test/fio/test_compression.py:test_compression_write_single" was: 4801
fio/test_compression.py::test_compression_write_single[bz2] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_compression_write_single_1
Global seed for "test/fio/test_compression.py:test_compression_write_single" was: 4801
fio/test_compression.py::test_compression_write_single[xz] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_compression_write_single_2
Global seed for "test/fio/test_compression.py:test_compression_write_single" was: 4801
fio/test_compression.py::test_compression_read_write_single[gz] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_compression_read_write_si0
Global seed for "test/fio/test_compression.py:test_compression_read_write_single" was: 1106
fio/test_compression.py::test_compression_read_write_single[bz2] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_compression_read_write_si1
Global seed for "test/fio/test_compression.py:test_compression_read_write_single" was: 1106
fio/test_compression.py::test_compression_read_write_single[xz] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_compression_read_write_si2
Global seed for "test/fio/test_compression.py:test_compression_read_write_single" was: 1106
fio/test_compression.py::test_compression_write_multiple[gz] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_compression_write_multipl0
Global seed for "test/fio/test_compression.py:test_compression_write_multiple" was: 347
fio/test_compression.py::test_compression_write_multiple[bz2] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_compression_write_multipl1
Global seed for "test/fio/test_compression.py:test_compression_write_multiple" was: 347
fio/test_compression.py::test_compression_write_multiple[xz] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_compression_write_multipl2
Global seed for "test/fio/test_compression.py:test_compression_write_multiple" was: 347
fio/test_compression.py::test_compression_read_write_multiple[gz] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_compression_read_write_mu0
Global seed for "test/fio/test_compression.py:test_compression_read_write_multiple" was: 9366
fio/test_compression.py::test_compression_read_write_multiple[bz2] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_compression_read_write_mu1
Global seed for "test/fio/test_compression.py:test_compression_read_write_multiple" was: 9366
fio/test_compression.py::test_compression_read_write_multiple[xz] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_compression_read_write_mu2
Global seed for "test/fio/test_compression.py:test_compression_read_write_multiple" was: 9366
fio/test_compression.py::test_modes[gz] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_modes_gz_0
Global seed for "test/fio/test_compression.py:test_modes" was: 6518
fio/test_compression.py::test_modes[bz2] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_modes_bz2_0
Global seed for "test/fio/test_compression.py:test_modes" was: 6518
fio/test_compression.py::test_modes[xz] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_modes_xz_0
Global seed for "test/fio/test_compression.py:test_modes" was: 6518
fio/test_dftb.py::test_read_dftb_genformat PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_dftb_genformat0
Global seed for "test/fio/test_dftb.py:test_read_dftb_genformat" was: 11292
fio/test_dftb.py::test_read_dftb_explicit PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_dftb_explicit0
Global seed for "test/fio/test_dftb.py:test_read_dftb_explicit" was: 300
fio/test_dftb.py::test_read_dftb_lattice PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_dftb_lattice0
Global seed for "test/fio/test_dftb.py:test_read_dftb_lattice" was: 2961
fio/test_dftb.py::test_read_dftb_velocities PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_dftb_velocities0
Global seed for "test/fio/test_dftb.py:test_read_dftb_velocities" was: 12046
fio/test_dftb.py::test_write_dftb_velocities PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_dftb_velocities0
Global seed for "test/fio/test_dftb.py:test_write_dftb_velocities" was: 3063
fio/test_dlp.py::test_dlp PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_dlp0
Global seed for "test/fio/test_dlp.py:test_dlp" was: 2406
fio/test_dlp.py::test_dlp3 PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_dlp30
Global seed for "test/fio/test_dlp.py:test_dlp3" was: 7472
fio/test_dlp.py::test_dlp2 PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_dlp20
Global seed for "test/fio/test_dlp.py:test_dlp2" was: 3660
fio/test_dmol.py::test_dmol PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_dmol0
Global seed for "test/fio/test_dmol.py:test_dmol" was: 10017
fio/test_elk.py::test_elk_in mockparameter
17
avec
0.00000000000000 5.13060643164726 5.13060643164726
5.13060643164726 0.00000000000000 5.13060643164726
5.13060643164726 5.13060643164726 0.00000000000000
atoms
1
'Si.in' : spfname
2
0.00000000000000 0.00000000000000 -0.00000000000000 0.0 0.0 0.00000000000000
0.25000000000000 0.25000000000000 0.25000000000000 0.0 0.0 0.00000000000000
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_elk_in0
Global seed for "test/fio/test_elk.py:test_elk_in" was: 6324
fio/test_elk.py::test_parse_eigval PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_eigval0
Global seed for "test/fio/test_elk.py:test_parse_eigval" was: 2332
fio/test_elk.py::test_read_elk PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_elk0
Global seed for "test/fio/test_elk.py:test_read_elk" was: 6364
fio/test_eon_masses.py::test_eon_masses PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_eon_masses0
Global seed for "test/fio/test_eon_masses.py:test_eon_masses" was: 4094
fio/test_eon_multi_image_read.py::test_eon PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_eon0
Global seed for "test/fio/test_eon_multi_image_read.py:test_eon" was: 8326
fio/test_eon_readwrite.py::test_eon_readwrite PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_eon_readwrite0
Global seed for "test/fio/test_eon_readwrite.py:test_eon_readwrite" was: 8839
fio/test_espresso.py::test_pw_input PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_pw_input0
Global seed for "test/fio/test_espresso.py:test_pw_input" was: 4237
fio/test_espresso.py::test_get_atomic_species PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_get_atomic_species0
Global seed for "test/fio/test_espresso.py:test_get_atomic_species" was: 3611
fio/test_espresso.py::test_pw_output PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_pw_output0
Global seed for "test/fio/test_espresso.py:test_pw_output" was: 6300
fio/test_espresso.py::test_pw_parse_line PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_pw_parse_line0
Global seed for "test/fio/test_espresso.py:test_pw_parse_line" was: 6853
fio/test_espresso.py::test_pw_results_required PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_pw_results_required0
Global seed for "test/fio/test_espresso.py:test_pw_results_required" was: 3063
fio/test_espresso.py::test_pw_input_write PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_pw_input_write0
Global seed for "test/fio/test_espresso.py:test_pw_input_write" was: 10705
fio/test_exciting.py::test_exciting_io PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_exciting_io0
Global seed for "test/fio/test_exciting.py:test_exciting_io" was: 1496
fio/test_extxyz.py::test_array_shape PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_array_shape0
Global seed for "test/fio/test_extxyz.py:test_array_shape" was: 4382
fio/test_extxyz.py::test_comment PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_comment0
Global seed for "test/fio/test_extxyz.py:test_comment" was: 1000
fio/test_extxyz.py::test_sequence PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_sequence0
Global seed for "test/fio/test_extxyz.py:test_sequence" was: 8570
fio/test_extxyz.py::test_vec_cell PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vec_cell0
Global seed for "test/fio/test_extxyz.py:test_vec_cell" was: 1537
fio/test_extxyz.py::test_read_slash PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_slash0
Global seed for "test/fio/test_extxyz.py:test_read_slash" was: 12196
fio/test_extxyz.py::test_read_struct PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_struct0
Global seed for "test/fio/test_extxyz.py:test_read_struct" was: 99
fio/test_extxyz.py::test_complex_key_val PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_complex_key_val0
Global seed for "test/fio/test_extxyz.py:test_complex_key_val" was: 11649
fio/test_extxyz.py::test_write_multiple PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_multiple0
Global seed for "test/fio/test_extxyz.py:test_write_multiple" was: 7326
fio/test_extxyz.py::test_blank_comment PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_blank_comment0
Global seed for "test/fio/test_extxyz.py:test_blank_comment" was: 6074
fio/test_extxyz.py::test_escape PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_escape0
Global seed for "test/fio/test_extxyz.py:test_escape" was: 1196
fio/test_extxyz.py::test_stress PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_stress0
Global seed for "test/fio/test_extxyz.py:test_stress" was: 12063
fio/test_extxyz.py::test_json_scalars PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_json_scalars0
Global seed for "test/fio/test_extxyz.py:test_json_scalars" was: 2360
fio/test_extxyz.py::test_constraints[constraint0] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_constraints_constraint0_0
Global seed for "test/fio/test_extxyz.py:test_constraints" was: 11102
fio/test_extxyz.py::test_constraints[constraint1] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_constraints_constraint1_0
Global seed for "test/fio/test_extxyz.py:test_constraints" was: 11102
fio/test_extxyz.py::test_constraints[constraint2] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_constraints_constraint2_0
Global seed for "test/fio/test_extxyz.py:test_constraints" was: 11102
fio/test_fileobj.py::test_write_to_obj_name compare []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_to_obj_name0
Global seed for "test/fio/test_fileobj.py:test_write_to_obj_name" was: 10965
fio/test_formats.py::test_no_such_file PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_no_such_file0
Global seed for "test/fio/test_formats.py:test_no_such_file" was: 8009
fio/test_formats.py::test_empty_file PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_empty_file0
Global seed for "test/fio/test_formats.py:test_empty_file" was: 627
fio/test_formats.py::test_bad_format PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_bad_format0
Global seed for "test/fio/test_formats.py:test_bad_format" was: 3654
fio/test_gaussian.py::test_read_write_gaussian_cartesian SKIPPED (us...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_write_gaussian_carte0
Global seed for "test/fio/test_gaussian.py:test_read_write_gaussian_cartesian" was: 4293
fio/test_gaussian.py::test_read_write_gaussian_cartesian_basis_set SKIPPEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_write_gaussian_carte1
Global seed for "test/fio/test_gaussian.py:test_read_write_gaussian_cartesian_basis_set" was: 9440
fio/test_gaussian.py::test_read_write_gaussian_zmatrix SKIPPED (use ...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_write_gaussian_zmatr0
Global seed for "test/fio/test_gaussian.py:test_read_write_gaussian_zmatrix" was: 6893
fio/test_gaussian.py::test_incorrect_mol_spec PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_incorrect_mol_spec0
Global seed for "test/fio/test_gaussian.py:test_incorrect_mol_spec" was: 8421
fio/test_gaussian.py::test_read_gaussian_in_errors[unsupported_file0] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_gaussian_in_errors_u0
Global seed for "test/fio/test_gaussian.py:test_read_gaussian_in_errors" was: 11302
fio/test_gaussian.py::test_read_gaussian_in_errors[unsupported_file1] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_gaussian_in_errors_u1
Global seed for "test/fio/test_gaussian.py:test_read_gaussian_in_errors" was: 11302
fio/test_gaussian.py::test_read_gaussian_in_errors[unsupported_file2] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_gaussian_in_errors_u2
Global seed for "test/fio/test_gaussian.py:test_read_gaussian_in_errors" was: 11302
fio/test_gaussian.py::test_read_gaussian_in_command PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_gaussian_in_command0
Global seed for "test/fio/test_gaussian.py:test_read_gaussian_in_command" was: 5075
fio/test_gaussian.py::test_write_gaussian_calc SKIPPED (use --calcul...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_gaussian_calc0
Global seed for "test/fio/test_gaussian.py:test_write_gaussian_calc" was: 1860
fio/test_gaussian.py::test_read_gaussian_regex PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_gaussian_regex0
Global seed for "test/fio/test_gaussian.py:test_read_gaussian_regex" was: 10674
fio/test_gaussian_out.py::test_match_magic PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_match_magic0
Global seed for "test/fio/test_gaussian_out.py:test_match_magic" was: 12095
fio/test_gaussian_out.py::test_gaussian_out PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_gaussian_out0
Global seed for "test/fio/test_gaussian_out.py:test_gaussian_out" was: 1011
fio/test_gen.py::test_gen[gen-None-False] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_gen_gen_None_False_0
Global seed for "test/fio/test_gen.py:test_gen" was: 7963
fio/test_gen.py::test_gen[gen-None-pbc1] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_gen_gen_None_pbc1_0
Global seed for "test/fio/test_gen.py:test_gen" was: 7963
fio/test_gen.py::test_gen[gen-None-True] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_gen_gen_None_True_0
Global seed for "test/fio/test_gen.py:test_gen" was: 7963
fio/test_gen.py::test_gen[gen-cell1-False] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_gen_gen_cell1_False_0
Global seed for "test/fio/test_gen.py:test_gen" was: 7963
fio/test_gen.py::test_gen[gen-cell1-pbc1] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_gen_gen_cell1_pbc1_0
Global seed for "test/fio/test_gen.py:test_gen" was: 7963
fio/test_gen.py::test_gen[gen-cell1-True] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_gen_gen_cell1_True_0
Global seed for "test/fio/test_gen.py:test_gen" was: 7963
fio/test_gen.py::test_gen[dftb-None-False] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_gen_dftb_None_False_0
Global seed for "test/fio/test_gen.py:test_gen" was: 7963
fio/test_gen.py::test_gen[dftb-None-pbc1] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_gen_dftb_None_pbc1_0
Global seed for "test/fio/test_gen.py:test_gen" was: 7963
fio/test_gen.py::test_gen[dftb-None-True] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_gen_dftb_None_True_0
Global seed for "test/fio/test_gen.py:test_gen" was: 7963
fio/test_gen.py::test_gen[dftb-cell1-False] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_gen_dftb_cell1_False_0
Global seed for "test/fio/test_gen.py:test_gen" was: 7963
fio/test_gen.py::test_gen[dftb-cell1-pbc1] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_gen_dftb_cell1_pbc1_0
Global seed for "test/fio/test_gen.py:test_gen" was: 7963
fio/test_gen.py::test_gen[dftb-cell1-True] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_gen_dftb_cell1_True_0
Global seed for "test/fio/test_gen.py:test_gen" was: 7963
fio/test_gen.py::test_gen_multiple PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_gen_multiple0
Global seed for "test/fio/test_gen.py:test_gen_multiple" was: 9808
fio/test_gpaw.py::test_gpaw_output PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_gpaw_output0
Global seed for "test/fio/test_gpaw.py:test_gpaw_output" was: 4876
fio/test_gpumd.py::test_read_gpumd_input 16 4 1.1 0 1 2
16 4 1.1 0 1 2
16 4 1.1 0 1 2
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_gpumd_input0
Global seed for "test/fio/test_gpumd.py:test_read_gpumd_input" was: 1931
fio/test_gpumd.py::test_load_gpumd_input 16 4 1.1 0 1 2
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_load_gpumd_input0
Global seed for "test/fio/test_gpumd.py:test_load_gpumd_input" was: 10209
fio/test_gpumd.py::test_gpumd_input_write 8 1 0.1 0 1 0
8 1 0.1 1 1 0
8 1 0.1 0 1 2
8 1 0.1 0 1 0
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_gpumd_input_write0
Global seed for "test/fio/test_gpumd.py:test_gpumd_input_write" was: 9457
fio/test_info.py::test_atoms_info_in_traj {'creation_date': '2011-06-27', 'chemical_name': 'Hydrogen', 'foo': {'seven': 7}}
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_atoms_info_in_traj0
Global seed for "test/fio/test_info.py:test_atoms_info_in_traj" was: 5460
fio/test_ioformats.py::test_manually IOFormat(name='traj', description='ASE trajectory', code='+B', module_name='ase.io.trajectory', encoding=None, extensions=['traj'], globs=[], magic=[b'- of UlmASE-Trajectory', b'AFFormatASE-Trajectory'], magic_regex=None)
IOFormat(name='vasp-out', description='VASP OUTCAR file', code='+F', module_name='ase.io.vasp', encoding=None, extensions=[], globs=['*OUTCAR*'], magic=[], magic_regex=None)
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_manually0
Global seed for "test/fio/test_ioformats.py:test_manually" was: 8817
fio/test_ioformats.py::test_ioformat[abinit-in] abinit-in
=========
Name:        abinit-in
Description: ABINIT input file
Modes:       rw
Encoding:    None
Module:      ase.io.abinit
Code:        1F
Extensions:  []
Globs:       []
Magic:       [b'*znucl *']
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_abinit_in_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[abinit-out] abinit-out
==========
Name:        abinit-out
Description: ABINIT output file
Modes:       r
Encoding:    None
Module:      ase.io.abinit
Code:        1F
Extensions:  []
Globs:       []
Magic:       [b'*.Version * of ABINIT']
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_abinit_out_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[aims] aims
====
Name:        aims
Description: FHI-aims geometry file
Modes:       rw
Encoding:    None
Module:      ase.io.aims
Code:        1S
Extensions:  ['in']
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_aims_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[aims-output] aims-output
===========
Name:        aims-output
Description: FHI-aims output
Modes:       r
Encoding:    None
Module:      ase.io.aims
Code:        +S
Extensions:  []
Globs:       []
Magic:       [b'*Invoking FHI-aims ...']
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_aims_output_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[bundletrajectory] bundletrajectory
================
Name:        bundletrajectory
Description: ASE bundle trajectory
Modes:       rw
Encoding:    None
Module:      ase.io.bundletrajectory
Code:        +S
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_bundletrajectory0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[castep-castep] castep-castep
=============
Name:        castep-castep
Description: CASTEP output file
Modes:       r
Encoding:    None
Module:      ase.io.castep
Code:        +F
Extensions:  ['castep']
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_castep_castep_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[castep-cell] castep-cell
===========
Name:        castep-cell
Description: CASTEP geom file
Modes:       rw
Encoding:    None
Module:      ase.io.castep
Code:        1F
Extensions:  ['cell']
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_castep_cell_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[castep-geom] castep-geom
===========
Name:        castep-geom
Description: CASTEP trajectory file
Modes:       r
Encoding:    None
Module:      ase.io.castep
Code:        +F
Extensions:  ['geom']
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_castep_geom_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[castep-md] castep-md
=========
Name:        castep-md
Description: CASTEP molecular dynamics file
Modes:       r
Encoding:    None
Module:      ase.io.castep
Code:        +F
Extensions:  ['md']
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_castep_md_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[castep-phonon] castep-phonon
=============
Name:        castep-phonon
Description: CASTEP phonon file
Modes:       r
Encoding:    None
Module:      ase.io.castep
Code:        1F
Extensions:  ['phonon']
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_castep_phonon_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[cfg] cfg
===
Name:        cfg
Description: AtomEye configuration
Modes:       rw
Encoding:    None
Module:      ase.io.cfg
Code:        1F
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_cfg_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[cif] cif
===
Name:        cif
Description: CIF-file
Modes:       rw
Encoding:    None
Module:      ase.io.cif
Code:        +B
Extensions:  ['cif']
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_cif_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[cmdft] cmdft
=====
Name:        cmdft
Description: CMDFT-file
Modes:       r
Encoding:    None
Module:      ase.io.cmdft
Code:        1F
Extensions:  []
Globs:       ['*I_info']
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_cmdft_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[cml] cml
===
Name:        cml
Description: Chemical json file
Modes:       r
Encoding:    None
Module:      ase.io.cml
Code:        1F
Extensions:  ['cml']
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_cml_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[cp2k-dcd] cp2k-dcd
========
Name:        cp2k-dcd
Description: CP2K DCD file
Modes:       r
Encoding:    None
Module:      ase.io.cp2k
Code:        +B
Extensions:  ['dcd']
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_cp2k_dcd_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[cp2k-restart] cp2k-restart
============
Name:        cp2k-restart
Description: CP2K restart file
Modes:       r
Encoding:    None
Module:      ase.io.cp2k
Code:        1F
Extensions:  ['restart']
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_cp2k_restart_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[crystal] crystal
=======
Name:        crystal
Description: Crystal fort.34 format
Modes:       rw
Encoding:    None
Module:      ase.io.crystal
Code:        1F
Extensions:  ['f34', '34']
Globs:       ['f34', '34']
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_crystal_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[cube] cube
====
Name:        cube
Description: CUBE file
Modes:       rw
Encoding:    None
Module:      ase.io.cube
Code:        1F
Extensions:  ['cube']
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_cube_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[dacapo-text] dacapo-text
===========
Name:        dacapo-text
Description: Dacapo text output
Modes:       r
Encoding:    None
Module:      ase.io.dacapo
Code:        1F
Extensions:  []
Globs:       []
Magic:       [b'*&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&\n']
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_dacapo_text_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[db] db
==
Name:        db
Description: ASE SQLite database file
Modes:       rw
Encoding:    None
Module:      ase.io.db
Code:        +S
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_db_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[dftb] dftb
====
Name:        dftb
Description: DftbPlus input file
Modes:       rw
Encoding:    None
Module:      ase.io.dftb
Code:        1S
Extensions:  []
Globs:       []
Magic:       [b'Geometry']
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_dftb_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[dlp4] dlp4
====
Name:        dlp4
Description: DL_POLY_4 CONFIG file
Modes:       rw
Encoding:    None
Module:      ase.io.dlp4
Code:        1F
Extensions:  ['config']
Globs:       ['*CONFIG*']
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_dlp4_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[dlp-history] dlp-history
===========
Name:        dlp-history
Description: DL_POLY HISTORY file
Modes:       r
Encoding:    None
Module:      ase.io.dlp4
Code:        +F
Extensions:  []
Globs:       ['HISTORY']
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_dlp_history_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[dmol-arc] dmol-arc
========
Name:        dmol-arc
Description: DMol3 arc file
Modes:       rw
Encoding:    None
Module:      ase.io.dmol
Code:        +S
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_dmol_arc_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[dmol-car] dmol-car
========
Name:        dmol-car
Description: DMol3 structure file
Modes:       rw
Encoding:    None
Module:      ase.io.dmol
Code:        1S
Extensions:  ['car']
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_dmol_car_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[dmol-incoor] dmol-incoor
===========
Name:        dmol-incoor
Description: DMol3 structure file
Modes:       rw
Encoding:    None
Module:      ase.io.dmol
Code:        1S
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_dmol_incoor_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[elk] elk
===
Name:        elk
Description: ELK atoms definition from GEOMETRY.OUT
Modes:       r
Encoding:    None
Module:      ase.io.elk
Code:        1F
Extensions:  []
Globs:       ['GEOMETRY.OUT']
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_elk_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[elk-in] elk-in
======
Name:        elk-in
Description: ELK input file
Modes:       w
Encoding:    None
Module:      ase.io.elk
Code:        1F
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_elk_in_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[eon] eon
===
Name:        eon
Description: EON CON file
Modes:       rw
Encoding:    None
Module:      ase.io.eon
Code:        +F
Extensions:  ['con']
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_eon_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[eps] eps
===
Name:        eps
Description: Encapsulated Postscript
Modes:       w
Encoding:    None
Module:      ase.io.eps
Code:        1S
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_eps_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[espresso-in] espresso-in
===========
Name:        espresso-in
Description: Quantum espresso in file
Modes:       rw
Encoding:    None
Module:      ase.io.espresso
Code:        1F
Extensions:  ['pwi']
Globs:       []
Magic:       [b'*\n&system', b'*\n&SYSTEM']
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_espresso_in_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[espresso-out] espresso-out
============
Name:        espresso-out
Description: Quantum espresso out file
Modes:       r
Encoding:    None
Module:      ase.io.espresso
Code:        +F
Extensions:  ['out', 'pwo']
Globs:       []
Magic:       [b'*Program PWSCF']
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_espresso_out_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[exciting] exciting
========
Name:        exciting
Description: exciting input
Modes:       rw
Encoding:    None
Module:      ase.io.exciting
Code:        1F
Extensions:  []
Globs:       ['input.xml']
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_exciting_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[extxyz] extxyz
======
Name:        extxyz
Description: Extended XYZ file
Modes:       rw
Encoding:    None
Module:      ase.io.extxyz
Code:        +F
Extensions:  ['xyz']
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_extxyz_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[findsym] findsym
=======
Name:        findsym
Description: FINDSYM-format
Modes:       w
Encoding:    None
Module:      ase.io.findsym
Code:        +F
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_findsym_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[gamess-us-out] gamess-us-out
=============
Name:        gamess-us-out
Description: GAMESS-US output file
Modes:       r
Encoding:    None
Module:      ase.io.gamess_us
Code:        1F
Extensions:  []
Globs:       []
Magic:       [b'*GAMESS']
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gamess_us_out_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[gamess-us-in] gamess-us-in
============
Name:        gamess-us-in
Description: GAMESS-US input file
Modes:       w
Encoding:    None
Module:      ase.io.gamess_us
Code:        1F
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gamess_us_in_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[gamess-us-punch] gamess-us-punch
===============
Name:        gamess-us-punch
Description: GAMESS-US punchcard file
Modes:       r
Encoding:    None
Module:      ase.io.gamess_us
Code:        1F
Extensions:  ['dat']
Globs:       []
Magic:       [b' $DATA']
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gamess_us_punch_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[gaussian-in] gaussian-in
===========
Name:        gaussian-in
Description: Gaussian com (input) file
Modes:       rw
Encoding:    None
Module:      ase.io.gaussian
Code:        1F
Extensions:  ['com', 'gjf']
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gaussian_in_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[gaussian-out] gaussian-out
============
Name:        gaussian-out
Description: Gaussian output file
Modes:       r
Encoding:    None
Module:      ase.io.gaussian
Code:        +F
Extensions:  ['log']
Globs:       []
Magic:       [b'*Entering Gaussian System']
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gaussian_out_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[acemolecule-out] acemolecule-out
===============
Name:        acemolecule-out
Description: ACE output file
Modes:       r
Encoding:    None
Module:      ase.io.acemolecule
Code:        1S
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_acemolecule_out_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[acemolecule-input] acemolecule-input
=================
Name:        acemolecule-input
Description: ACE input file
Modes:       r
Encoding:    None
Module:      ase.io.acemolecule
Code:        1S
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_acemolecule_inpu0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[gen] gen
===
Name:        gen
Description: DFTBPlus GEN format
Modes:       rw
Encoding:    None
Module:      ase.io.gen
Code:        1F
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gen_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[gif] gif
===
Name:        gif
Description: Graphics interchange format
Modes:       w
Encoding:    None
Module:      ase.io.animation
Code:        +S
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gif_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[gpaw-out] gpaw-out
========
Name:        gpaw-out
Description: GPAW text output
Modes:       r
Encoding:    None
Module:      ase.io.gpaw_out
Code:        +F
Extensions:  []
Globs:       []
Magic:       [b'*  ___ ___ ___ _ _ _']
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gpaw_out_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[gpumd] gpumd
=====
Name:        gpumd
Description: GPUMD input file
Modes:       rw
Encoding:    None
Module:      ase.io.gpumd
Code:        1F
Extensions:  []
Globs:       ['xyz.in']
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gpumd_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[gpw] gpw
===
Name:        gpw
Description: GPAW restart-file
Modes:       r
Encoding:    None
Module:      ase.io.gpw
Code:        1S
Extensions:  []
Globs:       []
Magic:       [b'- of UlmGPAW', b'AFFormatGPAW']
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gpw_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[gromacs] gromacs
=======
Name:        gromacs
Description: Gromacs coordinates
Modes:       rw
Encoding:    None
Module:      ase.io.gromacs
Code:        1F
Extensions:  ['gro']
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gromacs_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[gromos] gromos
======
Name:        gromos
Description: Gromos96 geometry file
Modes:       rw
Encoding:    None
Module:      ase.io.gromos
Code:        1F
Extensions:  ['g96']
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gromos_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[html] html
====
Name:        html
Description: X3DOM HTML
Modes:       w
Encoding:    None
Module:      ase.io.x3d
Code:        1F
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_html_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[json] json
====
Name:        json
Description: ASE JSON database file
Modes:       rw
Encoding:    None
Module:      ase.io.db
Code:        +F
Extensions:  ['json']
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_json_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[jsv] jsv
===
Name:        jsv
Description: JSV file format
Modes:       rw
Encoding:    None
Module:      ase.io.jsv
Code:        1F
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_jsv_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[lammps-dump-text] lammps-dump-text
================
Name:        lammps-dump-text
Description: LAMMPS text dump file
Modes:       r
Encoding:    None
Module:      ase.io.lammpsrun
Code:        +F
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_lammps_dump_text0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[lammps-dump-binary] lammps-dump-binary
==================
Name:        lammps-dump-binary
Description: LAMMPS binary dump file
Modes:       r
Encoding:    None
Module:      ase.io.lammpsrun
Code:        +B
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_lammps_dump_bina0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[lammps-data] lammps-data
===========
Name:        lammps-data
Description: LAMMPS data file
Modes:       rw
Encoding:    ascii
Module:      ase.io.lammpsdata
Code:        1F
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_lammps_data_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[magres] magres
======
Name:        magres
Description: MAGRES ab initio NMR data file
Modes:       rw
Encoding:    None
Module:      ase.io.magres
Code:        1F
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_magres_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[mol] mol
===
Name:        mol
Description: MDL Molfile
Modes:       r
Encoding:    None
Module:      ase.io.mol
Code:        1F
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_mol_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[mp4] mp4
===
Name:        mp4
Description: MP4 animation
Modes:       w
Encoding:    None
Module:      ase.io.animation
Code:        +S
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_mp4_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[mustem] mustem
======
Name:        mustem
Description: muSTEM xtl file
Modes:       rw
Encoding:    None
Module:      ase.io.mustem
Code:        1F
Extensions:  ['xtl']
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_mustem_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[mysql] mysql
=====
Name:        mysql
Description: ASE MySQL database file
Modes:       rw
Encoding:    None
Module:      ase.io.db
Code:        +S
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_mysql_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[netcdftrajectory] netcdftrajectory
================
Name:        netcdftrajectory
Description: AMBER NetCDF trajectory file
Modes:       rw
Encoding:    None
Module:      ase.io.netcdftrajectory
Code:        +S
Extensions:  []
Globs:       []
Magic:       [b'CDF']
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_netcdftrajectory0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[nomad-json] nomad-json
==========
Name:        nomad-json
Description: JSON from Nomad archive
Modes:       r
Encoding:    None
Module:      ase.io.nomad_json
Code:        +F
Extensions:  ['nomad-json']
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_nomad_json_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[nwchem-in] nwchem-in
=========
Name:        nwchem-in
Description: NWChem input file
Modes:       rw
Encoding:    None
Module:      ase.io.nwchem
Code:        1F
Extensions:  ['nwi']
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_nwchem_in_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[nwchem-out] nwchem-out
==========
Name:        nwchem-out
Description: NWChem output file
Modes:       r
Encoding:    None
Module:      ase.io.nwchem
Code:        +F
Extensions:  ['nwo']
Globs:       []
Magic:       [b'*Northwest Computational Chemistry Package']
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_nwchem_out_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[octopus-in] octopus-in
==========
Name:        octopus-in
Description: Octopus input file
Modes:       r
Encoding:    None
Module:      ase.io.octopus
Code:        1F
Extensions:  []
Globs:       ['inp']
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_octopus_in_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[proteindatabank] proteindatabank
===============
Name:        proteindatabank
Description: Protein Data Bank
Modes:       rw
Encoding:    None
Module:      ase.io.proteindatabank
Code:        +F
Extensions:  ['pdb']
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_proteindatabank_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[png] png
===
Name:        png
Description: Portable Network Graphics
Modes:       w
Encoding:    None
Module:      ase.io.png
Code:        1B
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_png_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[postgresql] postgresql
==========
Name:        postgresql
Description: ASE PostgreSQL database file
Modes:       rw
Encoding:    None
Module:      ase.io.db
Code:        +S
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_postgresql_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[pov] pov
===
Name:        pov
Description: Persistance of Vision
Modes:       w
Encoding:    None
Module:      ase.io.pov
Code:        1S
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_pov_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[prismatic] prismatic
=========
Name:        prismatic
Description: prismatic and computem XYZ-file
Modes:       rw
Encoding:    None
Module:      ase.io.prismatic
Code:        1F
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_prismatic_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[py] py
==
Name:        py
Description: Python file
Modes:       w
Encoding:    None
Module:      ase.io.py
Code:        +F
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_py_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[sys] sys
===
Name:        sys
Description: qball sys file
Modes:       rw
Encoding:    None
Module:      ase.io.sys
Code:        1F
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_sys_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[qbox] qbox
====
Name:        qbox
Description: QBOX output file
Modes:       r
Encoding:    None
Module:      ase.io.qbox
Code:        +F
Extensions:  []
Globs:       []
Magic:       [b'*:simulation xmlns:']
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_qbox_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[res] res
===
Name:        res
Description: SHELX format
Modes:       rw
Encoding:    None
Module:      ase.io.res
Code:        1S
Extensions:  ['shelx']
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_res_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[rmc6f] rmc6f
=====
Name:        rmc6f
Description: RMCProfile
Modes:       rw
Encoding:    None
Module:      ase.io.rmc6f
Code:        1S
Extensions:  ['rmc6f']
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_rmc6f_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[sdf] sdf
===
Name:        sdf
Description: SDF format
Modes:       r
Encoding:    None
Module:      ase.io.sdf
Code:        1F
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_sdf_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[siesta-xv] siesta-xv
=========
Name:        siesta-xv
Description: Siesta .XV file
Modes:       r
Encoding:    None
Module:      ase.io.siesta
Code:        1F
Extensions:  []
Globs:       ['*.XV']
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_siesta_xv_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[struct] struct
======
Name:        struct
Description: WIEN2k structure file
Modes:       rw
Encoding:    None
Module:      ase.io.wien2k
Code:        1S
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_struct_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[struct_out] struct_out
==========
Name:        struct_out
Description: SIESTA STRUCT file
Modes:       r
Encoding:    None
Module:      ase.io.siesta
Code:        1F
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_struct_out_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[traj] traj
====
Name:        traj
Description: ASE trajectory
Modes:       rw
Encoding:    None
Module:      ase.io.trajectory
Code:        +B
Extensions:  ['traj']
Globs:       []
Magic:       [b'- of UlmASE-Trajectory', b'AFFormatASE-Trajectory']
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_traj_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[turbomole] turbomole
=========
Name:        turbomole
Description: TURBOMOLE coord file
Modes:       rw
Encoding:    None
Module:      ase.io.turbomole
Code:        1F
Extensions:  []
Globs:       ['coord']
Magic:       [b'$coord']
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_turbomole_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[turbomole-gradient] turbomole-gradient
==================
Name:        turbomole-gradient
Description: TURBOMOLE gradient file
Modes:       r
Encoding:    None
Module:      ase.io.turbomole
Code:        +F
Extensions:  []
Globs:       ['gradient']
Magic:       [b'$grad']
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_turbomole_gradie0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[v-sim] v-sim
=====
Name:        v-sim
Description: V_Sim ascii file
Modes:       rw
Encoding:    None
Module:      ase.io.v_sim
Code:        1F
Extensions:  ['ascii']
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_v_sim_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[vasp] vasp
====
Name:        vasp
Description: VASP POSCAR/CONTCAR
Modes:       rw
Encoding:    None
Module:      ase.io.vasp
Code:        1F
Extensions:  ['poscar']
Globs:       ['*POSCAR*', '*CONTCAR*']
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_vasp_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[vasp-out] vasp-out
========
Name:        vasp-out
Description: VASP OUTCAR file
Modes:       r
Encoding:    None
Module:      ase.io.vasp
Code:        +F
Extensions:  []
Globs:       ['*OUTCAR*']
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_vasp_out_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[vasp-xdatcar] vasp-xdatcar
============
Name:        vasp-xdatcar
Description: VASP XDATCAR file
Modes:       rw
Encoding:    None
Module:      ase.io.vasp
Code:        +F
Extensions:  []
Globs:       ['*XDATCAR*']
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_vasp_xdatcar_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[vasp-xml] vasp-xml
========
Name:        vasp-xml
Description: VASP vasprun.xml file
Modes:       r
Encoding:    None
Module:      ase.io.vasp
Code:        +F
Extensions:  []
Globs:       ['*vasp*.xml']
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_vasp_xml_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[vti] vti
===
Name:        vti
Description: VTK XML Image Data
Modes:       w
Encoding:    None
Module:      ase.io.vtkxml
Code:        1F
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_vti_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[vtu] vtu
===
Name:        vtu
Description: VTK XML Unstructured Grid
Modes:       w
Encoding:    None
Module:      ase.io.vtkxml
Code:        1F
Extensions:  ['vtu']
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_vtu_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[wout] wout
====
Name:        wout
Description: Wannier90 output
Modes:       r
Encoding:    None
Module:      ase.io.wannier90
Code:        1F
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_wout_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[x3d] x3d
===
Name:        x3d
Description: X3D
Modes:       w
Encoding:    None
Module:      ase.io.x3d
Code:        1S
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_x3d_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[xsd] xsd
===
Name:        xsd
Description: Materials Studio file
Modes:       rw
Encoding:    None
Module:      ase.io.xsd
Code:        1F
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_xsd_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[xsf] xsf
===
Name:        xsf
Description: XCrySDen Structure File
Modes:       rw
Encoding:    None
Module:      ase.io.xsf
Code:        +F
Extensions:  []
Globs:       []
Magic:       [b'*\nANIMSTEPS', b'*\nCRYSTAL', b'*\nSLAB', b'*\nPOLYMER', b'*\nMOLECULE', b'*\nATOMS']
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_xsf_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[xtd] xtd
===
Name:        xtd
Description: Materials Studio file
Modes:       rw
Encoding:    None
Module:      ase.io.xtd
Code:        +F
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_xtd_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_ioformats.py::test_ioformat[xyz] xyz
===
Name:        xyz
Description: XYZ-file
Modes:       rw
Encoding:    None
Module:      ase.io.xyz
Code:        +F
Extensions:  []
Globs:       []
Magic:       []
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_xyz_0
Global seed for "test/fio/test_ioformats.py:test_ioformat" was: 7317
fio/test_iread_path.py::test_iread_path PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_iread_path0
Global seed for "test/fio/test_iread_path.py:test_iread_path" was: 1457
fio/test_json_arrays.py::test_json_arrays [1, 2, 3] --> [1, 2, 3]
[1.0, 2.0, 3.0] --> [1.0, 2.0, 3.0]
[] --> []
[0 1 2] --> [0 1 2]
[0. 1. 2.] --> [0. 1. 2.]
[] --> []
[] --> []
[1.+0.j 1.+0.j] --> [1.+0.j 1.+0.j]
[1.+0.j 1.+0.j] --> [1.+0.j 1.+0.j]
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_json_arrays0
Global seed for "test/fio/test_json_arrays.py:test_json_arrays" was: 965
fio/test_jsonio.py::test_jsonio {'hello': 'world'}
{'hello': 'world'}
(0.5+1.5j)
{"__complex__": [0.5, 1.5]}
(0.5+1.5j)
2022-08-16 09:19:22.710922
{"__datetime__": "2022-08-16T09:19:22.710922"}
2022-08-16 09:19:22.710922
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_jsonio0
Global seed for "test/fio/test_jsonio.py:test_jsonio" was: 4047
fio/test_jsonio.py::test_dict_with_int_key PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_dict_with_int_key0
Global seed for "test/fio/test_jsonio.py:test_dict_with_int_key" was: 5320
fio/test_jsonio_atoms.py::test_jsonio_atoms atoms Atoms(symbols='Ti2', pbc=True, cell=[[2.95, 0.0, 0.0], [-1.475, 2.554774941164094, 0.0], [0.0, 0.0, 4.6846000000000005]])
encoded {"numbers": {"__ndarray__": [[2], "int64", [22, 22]]}, "positions": {"__ndarray__": [[2, 3], "float64", [0.0, 0.0, 0.0, 5.4585965377403533e-17, 1.7031832941093958, 2.3423000000000003]]}, "cell": {"__ndarray__": [[3, 3], "float64", [2.95, 0.0, 0.0, -1.475, 2.554774941164094, 0.0, 0.0, 0.0, 4.6846000000000005]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "__ase_objtype__": "atoms"}
decoded Atoms(symbols='Ti2', pbc=True, cell=[[2.95, 0.0, 0.0], [-1.475, 2.554774941164094, 0.0], [0.0, 0.0, 4.6846000000000005]])
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_jsonio_atoms0
Global seed for "test/fio/test_jsonio_atoms.py:test_jsonio_atoms" was: 6687
fio/test_lammpsdump.py::test_recognize_lammpsdump[ITEM: TIMESTEP] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_recognize_lammpsdump_ITEM0
Global seed for "test/fio/test_lammpsdump.py:test_recognize_lammpsdump" was: 2464
fio/test_lammpsdump.py::test_recognize_lammpsdump[anything\nITEM: TIMESTEP\nanything] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_recognize_lammpsdump_anyt0
Global seed for "test/fio/test_lammpsdump.py:test_recognize_lammpsdump" was: 2464
fio/test_lammpsdump.py::test_lammpsdump_order PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpsdump_order0
Global seed for "test/fio/test_lammpsdump.py:test_lammpsdump_order" was: 5502
fio/test_lammpsdump.py::test_lammpsdump_element PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpsdump_element0
Global seed for "test/fio/test_lammpsdump.py:test_lammpsdump_element" was: 8970
fio/test_lammpsdump.py::test_lammpsdump_errors PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpsdump_errors0
Global seed for "test/fio/test_lammpsdump.py:test_lammpsdump_errors" was: 10507
fio/test_lammpsdump.py::test_lammpsdump_position_reading[xs ys zs-True] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpsdump_position_readi0
Global seed for "test/fio/test_lammpsdump.py:test_lammpsdump_position_reading" was: 7560
fio/test_lammpsdump.py::test_lammpsdump_position_reading[xsu ysu zsu-True] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpsdump_position_readi1
Global seed for "test/fio/test_lammpsdump.py:test_lammpsdump_position_reading" was: 7560
fio/test_lammpsdump.py::test_lammpsdump_position_reading[x y z-False] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpsdump_position_readi2
Global seed for "test/fio/test_lammpsdump.py:test_lammpsdump_position_reading" was: 7560
fio/test_lammpsdump.py::test_lammpsdump_position_reading[xu yu zu-False] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpsdump_position_readi3
Global seed for "test/fio/test_lammpsdump.py:test_lammpsdump_position_reading" was: 7560
fio/test_lammpsdump.py::test_lammpsdump_bounds[pp pp pp-expected0] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpsdump_bounds_pp_pp_p0
Global seed for "test/fio/test_lammpsdump.py:test_lammpsdump_bounds" was: 9837
fio/test_lammpsdump.py::test_lammpsdump_bounds[ss mm ff-expected1] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpsdump_bounds_ss_mm_f0
Global seed for "test/fio/test_lammpsdump.py:test_lammpsdump_bounds" was: 9837
fio/test_lammpsdump.py::test_lammpsdump_bounds[fs sm mf-expected2] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpsdump_bounds_fs_sm_m0
Global seed for "test/fio/test_lammpsdump.py:test_lammpsdump_bounds" was: 9837
fio/test_lammpsdump.py::test_lammpsdump_bounds[sf ms ff-expected3] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpsdump_bounds_sf_ms_f0
Global seed for "test/fio/test_lammpsdump.py:test_lammpsdump_bounds" was: 9837
fio/test_lammpsdump.py::test_lammpsdump_bounds[pp ms ff-expected4] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpsdump_bounds_pp_ms_f0
Global seed for "test/fio/test_lammpsdump.py:test_lammpsdump_bounds" was: 9837
fio/test_lammpsdump.py::test_lammpsdump_bounds[ff pp ff-expected5] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpsdump_bounds_ff_pp_f0
Global seed for "test/fio/test_lammpsdump.py:test_lammpsdump_bounds" was: 9837
fio/test_lammpsdump.py::test_lammpsdump_bounds[ff mm pp-expected6] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpsdump_bounds_ff_mm_p0
Global seed for "test/fio/test_lammpsdump.py:test_lammpsdump_bounds" was: 9837
fio/test_lammpsdump.py::test_lammpsdump_bounds[pp ff pp-expected7] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_lammpsdump_bounds_pp_ff_p0
Global seed for "test/fio/test_lammpsdump.py:test_lammpsdump_bounds" was: 9837
fio/test_magmom.py::test_magmom PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_magmom0
Global seed for "test/fio/test_magmom.py:test_magmom" was: 10158
fio/test_magres.py::test_magres PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_magres0
Global seed for "test/fio/test_magres.py:test_magres" was: 877
fio/test_match_magic.py::test_match_magic PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_match_magic1
Global seed for "test/fio/test_match_magic.py:test_match_magic" was: 6262
fio/test_mustem.py::test_mustem_several_elements PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_mustem_several_elements0
Global seed for "test/fio/test_mustem.py:test_mustem_several_elements" was: 5504
fio/test_mustem.py::test_mustem_single_elements PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_mustem_single_elements0
Global seed for "test/fio/test_mustem.py:test_mustem_single_elements" was: 11588
fio/test_netcdftrajectory.py::test_netcdftrajectory SKIPPED (could n...)
fio/test_netcdftrajectory.py::test_netcdf_with_variable_atomic_numbers SKIPPED
fio/test_netcdftrajectory.py::test_netcdf_with_nonconsecutive_index SKIPPED
fio/test_netcdftrajectory.py::test_types_to_numbers_argument SKIPPED
fio/test_nomad.py::test_nomad PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_nomad0
Global seed for "test/fio/test_nomad.py:test_nomad" was: 10578
fio/test_nwchem.py::test_nwchem PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_nwchem0
Global seed for "test/fio/test_nwchem.py:test_nwchem" was: 5901
fio/test_oi.py::test_ioformat[abinit-in] abinit-in           RW1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_abinit_in_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[abinit-out] abinit-out          R 1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_abinit_out_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[acemolecule-input] acemolecule-input   R 1S
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_acemolecule_inpu1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[acemolecule-out] acemolecule-out     R 1S
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_acemolecule_out_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[aims] aims                RW1S
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_aims_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[aims-output] aims-output         R +S
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_aims_output_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[bundletrajectory] bundletrajectory    RW+S
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_bundletrajectory1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[castep-castep] castep-castep       R +F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_castep_castep_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[castep-cell] castep-cell         RW1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_castep_cell_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[castep-geom] castep-geom         R +F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_castep_geom_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[castep-md] castep-md           R +F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_castep_md_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[castep-phonon] castep-phonon       R 1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_castep_phonon_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[cfg] cfg                 RW1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_cfg_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[cif] cif                 RW+F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_cif_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[cmdft] cmdft               R 1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_cmdft_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[cml] cml                 R 1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_cml_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[cp2k-dcd] cp2k-dcd            R +F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_cp2k_dcd_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[cp2k-restart] cp2k-restart        R 1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_cp2k_restart_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[crystal] crystal             RW1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_crystal_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[cube] cube                RW1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_cube_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[dacapo-text] dacapo-text         R 1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_dacapo_text_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[db] db                  RW+S
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_db_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[dlp-history] dlp-history         R +F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_dlp_history_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[dlp4] dlp4                RW1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_dlp4_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[elk] elk                 R 1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_elk_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[elk-in] elk-in               W1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_elk_in_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[espresso-in] espresso-in         RW1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_espresso_in_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[espresso-out] espresso-out        R +F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_espresso_out_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[exciting] exciting            RW1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_exciting_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[extxyz] extxyz              RW+F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_extxyz_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[findsym] findsym              W+F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_findsym_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[gamess-us-in] gamess-us-in         W1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gamess_us_in_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[gamess-us-out] gamess-us-out       R 1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gamess_us_out_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[gamess-us-punch] gamess-us-punch     R 1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gamess_us_punch_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[gaussian-in] gaussian-in         RW1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gaussian_in_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[gaussian-out] gaussian-out        R +F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gaussian_out_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[gen] gen                 RW1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gen_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[gpaw-out] gpaw-out            R +F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gpaw_out_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[gpumd] gpumd               RW1F
4 1 0.1 0 1 0
4 1 0.1 0 1 0
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gpumd_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[gpw] gpw                 R 1S
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gpw_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[gromacs] gromacs             RW1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gromacs_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[gromos] gromos              RW1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_gromos_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[html] html                 W1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_html_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[json] json                RW+F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_json_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[jsv] jsv                 RW1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_jsv_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[lammps-dump-binary] lammps-dump-binary  R +F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_lammps_dump_bina1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[lammps-dump-text] lammps-dump-text    R +F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_lammps_dump_text1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[magres] magres              RW1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_magres_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[mol] mol                 R 1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_mol_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[nomad-json] nomad-json          R +F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_nomad_json_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[nwchem-in] nwchem-in           RW1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_nwchem_in_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[nwchem-out] nwchem-out          R +F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_nwchem_out_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[octopus-in] octopus-in          R 1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_octopus_in_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[pov] pov                  W1S
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_pov_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[proteindatabank] proteindatabank     RW+F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_proteindatabank_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[py] py                   W+F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_py_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[qbox] qbox                R +F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_qbox_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[res] res                 RW1S
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_res_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[rmc6f] rmc6f               RW1S
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_rmc6f_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[sdf] sdf                 R 1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_sdf_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[siesta-xv] siesta-xv           R 1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_siesta_xv_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[struct] struct              RW1S
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_struct_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[struct_out] struct_out          R 1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_struct_out_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[sys] sys                 RW1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_sys_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[traj] traj                RW+F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_traj_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[turbomole] turbomole           RW1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_turbomole_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[turbomole-gradient] turbomole-gradient  R +F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_turbomole_gradie1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[vasp] vasp                RW1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_vasp_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[vasp-out] vasp-out            R +F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_vasp_out_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[vasp-xdatcar] vasp-xdatcar        RW+F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_vasp_xdatcar_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[vasp-xml] vasp-xml            R +F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_vasp_xml_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[wout] wout                R 1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_wout_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[x3d] x3d                  W1S
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_x3d_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[xsd] xsd                 RW1F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_xsd_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[xsf] xsf                 RW+F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_xsf_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[xtd] xtd                 RW+F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_xtd_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oi.py::test_ioformat[xyz] xyz                 RW+F
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ioformat_xyz_1
Global seed for "test/fio/test_oi.py:test_ioformat" was: 5653
fio/test_oldtraj.py::test_oldtraj PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_oldtraj0
Global seed for "test/fio/test_oldtraj.py:test_oldtraj" was: 689
fio/test_opls.py::test_opls_write_lammps PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_opls_write_lammps0
Global seed for "test/fio/test_opls.py:test_opls_write_lammps" was: 11331
fio/test_parallel.py::test_parallel PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_parallel0
Global seed for "test/fio/test_parallel.py:test_parallel" was: 9489
fio/test_pdb_cell_io.py::test_pdb_cell_io [0.58245751 0.08464738 0.89049053] [0.58244171 0.08459027 0.89049616]
[0.08248739 0.08462433 0.89049936] [0.08248747 0.08459027 0.89049616]
[0.82477559 0.60119557 0.88999483] [0.82480328 0.6011486  0.88998369]
[0.32480624 0.60119975 0.88999046] [0.32475751 0.6011486  0.88998369]
[0.95178905 0.84644893 0.87141798] [0.95175705 0.84646301 0.87144188]
[0.45179905 0.84642146 0.87142817] [0.45176413 0.84635731 0.87144188]
[0.17359462 0.40328661 0.8652302 ] [0.17358944 0.40325591 0.86524575]
[0.67361245 0.40325012 0.86523569] [0.67354367 0.40325591 0.86524575]
[0.58151723 0.08611017 0.9446699 ] [0.58151879 0.08606998 0.94467738]
[0.08156914 0.08607222 0.94465754] [0.08156455 0.08606998 0.94467738]
[0.82078699 0.60960193 0.94396861] [0.82075861 0.60960407 0.94397857]
[0.32086411 0.60960362 0.94396957] [0.32080437 0.60960407 0.94397857]
[0.94710704 0.85542072 0.92670159] [0.94708202 0.85544695 0.92669462]
[0.44710828 0.85538878 0.92669704] [0.4470891  0.85534125 0.92669462]
[0.17104215 0.40909613 0.92106775] [0.171049   0.40906905 0.92105754]
[0.6710396  0.40901416 0.92014063] [0.67105608 0.40896335 0.92012579]
[0.6666667 0.6666668 0.5      ] [0.66663786 0.66667851 0.5       ]
[0.66564883 0.66681576 0.69965634] [0.66566968 0.66678421 0.69967389]
[0.5833333 0.5833334 0.6004007] [0.58339112 0.58328641 0.60039599]
[0.58479118 0.58061543 0.7998013 ] [0.58480382 0.58064407 0.79979036]
[0.9166667 0.6666668 0.5      ] [0.91661498 0.66667851 0.5       ]
[0.91762555 0.66683043 0.69968899] [0.91766053 0.66678421 0.69967389]
[0.8333333 0.5833334 0.6004007] [0.83336824 0.58328641 0.60039599]
[0.83326528 0.58361919 0.80168882] [0.83330123 0.58360349 0.80170044]
[0.1666667 0.6666668 0.5      ] [0.16659209 0.66667851 0.5       ]
[0.16564969 0.66681654 0.69965352] [0.16562392 0.66678421 0.69967389]
[0.0833334 0.5833334 0.6004007] [0.08334535 0.58328641 0.60039599]
[0.08478609 0.5806259  0.7997974 ] [0.08475805 0.58064407 0.79979036]
[0.4166667 0.6666668 0.5      ] [0.41666074 0.66667851 0.5       ]
[0.41762503 0.66683199 0.69968966] [0.41761476 0.66678421 0.69967389]
[0.3333333 0.5833334 0.6004007] [0.33332247 0.58328641 0.60039599]
[0.33327511 0.58361471 0.80168987] [0.33325546 0.58360349 0.80170044]
[0.6666667 0.9166668 0.5      ] [0.66668972 0.91664343 0.5       ]
[0.66777003 0.91451737 0.69792495] [0.66774666 0.91452957 0.69795015]
[0.5833333 0.8333334 0.6004007] [0.5832986  0.83335702 0.60039599]
[0.58472752 0.83083423 0.80028703] [0.58474999 0.83082038 0.80030282]
[0.9166667 0.9166668 0.5      ] [0.91666684 0.91664343 0.5       ]
[0.91775969 0.91454889 0.70128446] [0.91772378 0.91452957 0.70130445]
[0.8333333 0.8333334 0.6004007] [0.83327572 0.83335702 0.60039599]
[0.83448438 0.8308524  0.80028113] [0.83445251 0.83082038 0.80030282]
[0.1666667 0.9166668 0.5      ] [0.16664396 0.91664343 0.5       ]
[0.16777185 0.91451492 0.69792424] [0.16770089 0.91452957 0.69795015]
[0.0833333 0.8333334 0.6004007] [0.08325284 0.83335702 0.60039599]
[0.08473306 0.83083455 0.80028497] [0.08470422 0.83082038 0.80030282]
[0.4166667 0.9166668 0.5      ] [0.41662107 0.91664343 0.5       ]
[0.41776223 0.91454603 0.70128572] [0.41776954 0.91452957 0.70130445]
[0.3333333 0.8333334 0.6004007] [0.33332149 0.83335702 0.60039599]
[0.33449046 0.83085015 0.80028079] [0.33449828 0.83082038 0.80030282]
[0.6666667 0.1666668 0.5      ] [0.66665006 0.16660836 0.5       ]
[0.66712337 0.16710041 0.69988219] [0.66717093 0.16703113 0.69990683]
[0.5833333 0.0833334 0.6004007] [0.58335047 0.08332195 0.60039599]
[0.58370651 0.08262747 0.80213662] [0.5837204  0.08258209 0.80211973]
[0.9166667 0.1666668 0.5      ] [0.91662717 0.16660836 0.5       ]
[0.91576804 0.16710567 0.6999436 ] [0.91577505 0.16703113 0.69995341]
[0.8333333 0.0833334 0.6004007] [0.83332758 0.08332195 0.60039599]
[0.8338179  0.082383   0.79727249] [0.83380321 0.08237071 0.79727463]
[0.1666667 0.1666668 0.5      ] [0.16669582 0.16660836 0.5       ]
[0.16712321 0.16710123 0.6998829 ] [0.16712517 0.16703113 0.69990683]
[0.0833333 0.0833334 0.6004007] [0.0833047  0.08332195 0.60039599]
[0.08371101 0.08262558 0.80213491] [0.08367463 0.08258209 0.80211973]
[0.4166667 0.1666668 0.5      ] [0.41667294 0.16660836 0.5       ]
[0.41576896 0.16710601 0.6999418 ] [0.41567644 0.16713682 0.69995341]
[0.3333334 0.0833334 0.6004007] [0.33328182 0.08332195 0.60039599]
[0.33382176 0.08238087 0.7972715 ] [0.33375744 0.08237071 0.79727463]
[0.6666667 0.4166668 0.5      ] [0.66664907 0.41667897 0.5       ]
[0.66772739 0.4145936  0.70134394] [0.66770601 0.4145651  0.70135104]
[0.5833333 0.3333334 0.6004007] [0.5833108  0.33328687 0.60039599]
[0.58227383 0.33065193 0.80009314] [0.5822521  0.33064453 0.80011647]
[0.9166667 0.4166668 0.5      ] [0.91662619 0.41667897 0.5       ]
[0.91767832 0.41476419 0.69872331] [0.91766896 0.41477649 0.69874214]
[0.8333333 0.3333334 0.6004007] [0.83328792 0.33328687 0.60039599]
[0.83742182 0.33063955 0.80006001] [0.83735508 0.33064453 0.80006988]
[0.1666667 0.4166668 0.5      ] [0.16660331 0.41667897 0.5       ]
[0.16772668 0.41459061 0.70134238] [0.16766024 0.4145651  0.70135104]
[0.0833333 0.3333334 0.6004007] [0.08335657 0.33328687 0.60039599]
[0.08227893 0.33064869 0.80009778] [0.08220634 0.33064453 0.80011647]
[0.4166667 0.4166668 0.5      ] [0.41658042 0.41667897 0.5       ]
[0.41767474 0.41476794 0.69872273] [0.4176232  0.41477649 0.69874214]
[0.3333334 0.3333334 0.6004007] [0.33333368 0.33328687 0.60039599]
[0.33741905 0.330645   0.80005816] [0.33740085 0.33064453 0.80006988]
9.251905711549213e-05
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_pdb_cell_io0
Global seed for "test/fio/test_pdb_cell_io.py:test_pdb_cell_io" was: 9124
fio/test_pdb_extra.py::test_pdb_read PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_pdb_read0
Global seed for "test/fio/test_pdb_extra.py:test_pdb_read" was: 3423
fio/test_pdb_extra.py::test_pdb_read_with_arrays PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_pdb_read_with_arrays0
Global seed for "test/fio/test_pdb_extra.py:test_pdb_read_with_arrays" was: 7328
fio/test_pickle_bundle_trajectory.py::test_raises PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_raises0
Global seed for "test/fio/test_pickle_bundle_trajectory.py:test_raises" was: 10990
fio/test_pickle_bundle_trajectory.py::test_write_read_pickle PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_read_pickle0
Global seed for "test/fio/test_pickle_bundle_trajectory.py:test_write_read_pickle" was: 8372
fio/test_pickle_bundle_trajectory.py::test_write_read_bundle XFAIL (...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_read_bundle0
Global seed for "test/fio/test_pickle_bundle_trajectory.py:test_write_read_bundle" was: 4563
fio/test_pickle_bundle_trajectory.py::test_append_pickle PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_append_pickle0
Global seed for "test/fio/test_pickle_bundle_trajectory.py:test_append_pickle" was: 2234
fio/test_pickle_bundle_trajectory.py::test_append_bundle XFAIL (same...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_append_bundle0
Global seed for "test/fio/test_pickle_bundle_trajectory.py:test_append_bundle" was: 10770
fio/test_pickle_bundle_trajectory.py::test_old_trajectory_conversion_utility <frozen runpy>:128: RuntimeWarning: 'ase.io.trajectory' found in sys.modules after import of package 'ase.io', but prior to execution of 'ase.io.trajectory'; this may result in unpredictable behaviour
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_old_trajectory_conversion0
Global seed for "test/fio/test_pickle_bundle_trajectory.py:test_old_trajectory_conversion_utility" was: 8465
fio/test_pickle_bundle_trajectory.py::test_bundletrajectory_info <frozen runpy>:128: RuntimeWarning: 'ase.io.bundletrajectory' found in sys.modules after import of package 'ase.io', but prior to execution of 'ase.io.bundletrajectory'; this may result in unpredictable behaviour
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_bundletrajectory_info0
Global seed for "test/fio/test_pickle_bundle_trajectory.py:test_bundletrajectory_info" was: 3069
fio/test_povray.py::test_povray_io SKIPPED (povray not installed)
fio/test_povray.py::test_povray_highorder SKIPPED (povray not installed)
fio/test_povray.py::test_deprecated PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_deprecated0
Global seed for "test/fio/test_povray.py:test_deprecated" was: 6393
fio/test_prismatic.py::test_write_read_cycle_xyz_prismatic PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_read_cycle_xyz_pris0
Global seed for "test/fio/test_prismatic.py:test_write_read_cycle_xyz_prismatic" was: 2800
fio/test_prismatic.py::test_write_error PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_error0
Global seed for "test/fio/test_prismatic.py:test_write_error" was: 9154
fio/test_pycodcif_read.py::test_pycodcif SKIPPED (could not import '...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_pycodcif0
Global seed for "test/fio/test_pycodcif_read.py:test_pycodcif" was: 526
fio/test_qbox.py::test_read_output PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_output0
Global seed for "test/fio/test_qbox.py:test_read_output" was: 1449
fio/test_qbox.py::test_format PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_format1
Global seed for "test/fio/test_qbox.py:test_format" was: 455
fio/test_readwrite_errors.py::test_readwrite_errors PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_readwrite_errors0
Global seed for "test/fio/test_readwrite_errors.py:test_readwrite_errors" was: 5452
fio/test_readwrite_errors.py::test_parse_filename_with_at_in_ext PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_filename_with_at_in0
Global seed for "test/fio/test_readwrite_errors.py:test_parse_filename_with_at_in_ext" was: 9115
fio/test_readwrite_errors.py::test_parse_filename_with_at_in_path PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_filename_with_at_in1
Global seed for "test/fio/test_readwrite_errors.py:test_parse_filename_with_at_in_path" was: 97
fio/test_readwrite_errors.py::test_parse_filename_no_ext PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_filename_no_ext0
Global seed for "test/fio/test_readwrite_errors.py:test_parse_filename_no_ext" was: 11006
fio/test_readwrite_errors.py::test_parse_filename_with_at_no_ext PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_filename_with_at_no0
Global seed for "test/fio/test_readwrite_errors.py:test_parse_filename_with_at_no_ext" was: 6711
fio/test_readwrite_errors.py::test_parse_filename_bad_slice PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_filename_bad_slice0
Global seed for "test/fio/test_readwrite_errors.py:test_parse_filename_bad_slice" was: 6611
fio/test_readwrite_errors.py::test_parse_filename_db_entry PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_filename_db_entry0
Global seed for "test/fio/test_readwrite_errors.py:test_parse_filename_db_entry" was: 1920
fio/test_readwrite_errors.py::test_parse_filename_do_not_split PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_filename_do_not_spl0
Global seed for "test/fio/test_readwrite_errors.py:test_parse_filename_do_not_split" was: 9353
fio/test_res.py::test_res PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_res0
Global seed for "test/fio/test_res.py:test_res" was: 4708
fio/test_rmc6f.py::test_rmc6f_read PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_rmc6f_read0
Global seed for "test/fio/test_rmc6f.py:test_rmc6f_read" was: 734
fio/test_rmc6f.py::test_rmc6f_write PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_rmc6f_write0
Global seed for "test/fio/test_rmc6f.py:test_rmc6f_write" was: 463
fio/test_rmc6f.py::test_rmc6f_write_with_order PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_rmc6f_write_with_order0
Global seed for "test/fio/test_rmc6f.py:test_rmc6f_write_with_order" was: 10990
fio/test_rmc6f.py::test_rmc6f_write_with_triclinic_system PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_rmc6f_write_with_triclini0
Global seed for "test/fio/test_rmc6f.py:test_rmc6f_write_with_triclinic_system" was: 4044
fio/test_rmc6f.py::test_rmc6f_read_construct_regex PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_rmc6f_read_construct_rege0
Global seed for "test/fio/test_rmc6f.py:test_rmc6f_read_construct_regex" was: 4803
fio/test_rmc6f.py::test_rmc6f_read_line_of_atoms_section_style_no_labels PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_rmc6f_read_line_of_atoms_0
Global seed for "test/fio/test_rmc6f.py:test_rmc6f_read_line_of_atoms_section_style_no_labels" was: 11549
fio/test_rmc6f.py::test_rmc6f_read_line_of_atoms_section_style_labels PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_rmc6f_read_line_of_atoms_1
Global seed for "test/fio/test_rmc6f.py:test_rmc6f_read_line_of_atoms_section_style_labels" was: 8645
fio/test_rmc6f.py::test_rmc6f_read_line_of_atoms_section_style_magnetic PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_rmc6f_read_line_of_atoms_2
Global seed for "test/fio/test_rmc6f.py:test_rmc6f_read_line_of_atoms_section_style_magnetic" was: 11234
fio/test_rmc6f.py::test_rmc6f_read_process_rmc6f_lines_to_pos_and_cell PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_rmc6f_read_process_rmc6f_0
Global seed for "test/fio/test_rmc6f.py:test_rmc6f_read_process_rmc6f_lines_to_pos_and_cell" was: 9111
fio/test_rmc6f.py::test_rmc6f_read_process_rmc6f_lines_to_pos_and_cell_padded_whitespace PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_rmc6f_read_process_rmc6f_1
Global seed for "test/fio/test_rmc6f.py:test_rmc6f_read_process_rmc6f_lines_to_pos_and_cell_padded_whitespace" was: 7296
fio/test_rmc6f.py::test_rmc6f_write_output_column_format PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_rmc6f_write_output_column0
Global seed for "test/fio/test_rmc6f.py:test_rmc6f_write_output_column_format" was: 1189
fio/test_rmc6f.py::test_rmc6f_write_output PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_rmc6f_write_output0
Global seed for "test/fio/test_rmc6f.py:test_rmc6f_write_output" was: 8863
fio/test_siesta.py::test_read_struct_out PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_struct_out0
Global seed for "test/fio/test_siesta.py:test_read_struct_out" was: 11572
fio/test_siesta.py::test_read_fdf PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_fdf0
Global seed for "test/fio/test_siesta.py:test_read_fdf" was: 7646
fio/test_siesta.py::test_read_xv PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_xv0
Global seed for "test/fio/test_siesta.py:test_read_xv" was: 5945
fio/test_traj_bytesio.py::test_traj_bytesio PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_traj_bytesio0
Global seed for "test/fio/test_traj_bytesio.py:test_traj_bytesio" was: 7715
fio/test_trajectory.py::test_trajectory [[0.  0.  0.5]
 [0.  0.  1.7]]
1 1.3
1 1.4000000000000001
1 1.5000000000000002
1 1.6000000000000003
1 1.7000000000000004
1 2.7
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_trajectory0
Global seed for "test/fio/test_trajectory.py:test_trajectory" was: 9952
fio/test_trajectory.py::test_append_nonexistent_file PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_append_nonexistent_file0
Global seed for "test/fio/test_trajectory.py:test_append_nonexistent_file" was: 2633
fio/test_trajectory.py::test_only_energy PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_only_energy0
Global seed for "test/fio/test_trajectory.py:test_only_energy" was: 7690
fio/test_trajectory.py::test_constraint_and_momenta PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_constraint_and_momenta0
Global seed for "test/fio/test_trajectory.py:test_constraint_and_momenta" was: 1225
fio/test_trajectory_heterogeneous.py::test_trajectory_heterogeneous 0 False
1 False
2 True
3 True
4 True
5 True
0 Atoms(symbols='OH2', pbc=False)
{'pbc': array([False, False, False]), 'numbers': array([8, 1, 1]), 'masses': None, 'constraints': []}
{'pbc': array([False, False, False]), 'numbers': array([8, 1, 1]), 'masses': None, 'constraints': []}
1 Atoms(symbols='OH2', pbc=False)
{'pbc': array([False, False, False]), 'numbers': array([8, 1, 1]), 'masses': None, 'constraints': []}
{'pbc': array([False, False, False]), 'numbers': array([8, 1, 1]), 'masses': None, 'constraints': []}
2 Atoms(symbols='OH2', pbc=False, cell=[4.0, 5.526478, 4.596309], masses=...)
{'pbc': array([False, False, False]), 'numbers': array([8, 1, 1]), 'masses': array([15.999,  1.008,  1.008]), 'constraints': []}
{'pbc': array([False, False, False]), 'numbers': array([8, 1, 1]), 'masses': array([15.999,  1.008,  1.008]), 'constraints': []}
3 Atoms(symbols='C2OH6', pbc=False, constraint=FixAtoms(indices=[0, 1, 2]))
{'pbc': array([False, False, False]), 'numbers': array([6, 6, 8, 1, 1, 1, 1, 1, 1]), 'masses': None, 'constraints': [FixAtoms(indices=[0, 1, 2])]}
{'pbc': array([False, False, False]), 'numbers': array([6, 6, 8, 1, 1, 1, 1, 1, 1]), 'masses': None, 'constraints': [FixAtoms(indices=[0, 1, 2])]}
4 Atoms(symbols='Au8', pbc=True, cell=[[0.0, 4.08, 4.08], [4.08, 0.0, 4.08], [4.08, 4.08, 0.0]], constraint=FixAtoms(indices=[0, 1, 2, 3]))
{'pbc': array([ True,  True,  True]), 'numbers': array([79, 79, 79, 79, 79, 79, 79, 79]), 'masses': None, 'constraints': [FixAtoms(indices=[0, 1, 2, 3])]}
{'pbc': array([ True,  True,  True]), 'numbers': array([79, 79, 79, 79, 79, 79, 79, 79]), 'masses': None, 'constraints': [FixAtoms(indices=[0, 1, 2, 3])]}
5 Atoms(symbols='Cu12', pbc=True, cell=[[0.0, 3.61, 3.61], [3.61, 0.0, 3.61], [5.415, 5.415, 0.0]], constraint=[FixAtoms(indices=[0, 1, 2, 3, 4]), <ase.constraints.FixBondLengths object at 0x7fd8dab81fd0>])
{'pbc': array([ True,  True,  True]), 'numbers': array([29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29]), 'masses': None, 'constraints': [FixAtoms(indices=[0, 1, 2, 3, 4]), <ase.constraints.FixBondLengths object at 0x7fd8dab81fd0>]}
{'pbc': array([ True,  True,  True]), 'numbers': array([29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29]), 'masses': None, 'constraints': [FixAtoms(indices=[0, 1, 2, 3, 4]), <ase.constraints.FixBondLengths object at 0x7fd8dab808d0>]}
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_trajectory_heterogeneous0
Global seed for "test/fio/test_trajectory_heterogeneous.py:test_trajectory_heterogeneous" was: 12175
fio/test_turbomole.py::test_turbomole PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_turbomole0
Global seed for "test/fio/test_turbomole.py:test_turbomole" was: 1921
fio/test_ulm.py::test_open_anypathlike PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_open_anypathlike0
Global seed for "test/fio/test_ulm.py:test_open_anypathlike" was: 2777
fio/test_ulm.py::test_ulm PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ulm0
Global seed for "test/fio/test_ulm.py:test_ulm" was: 8593
fio/test_ulm.py::test_append PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_append0
Global seed for "test/fio/test_ulm.py:test_append" was: 9837
fio/test_ulm.py::test_ulm_copy PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ulm_copy0
Global seed for "test/fio/test_ulm.py:test_ulm_copy" was: 5655
fio/test_ulm_dummy.py::test_dummy_write PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_dummy_write0
Global seed for "test/fio/test_ulm_dummy.py:test_dummy_write" was: 7054
fio/test_v_sim.py::test_v_sim PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_v_sim0
Global seed for "test/fio/test_v_sim.py:test_v_sim" was: 5171
fio/test_vasp_structure.py::TestXdatcarRoundtrip::test_roundtrip PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_roundtrip0
Global seed for "test/fio/test_vasp_structure.py:test_roundtrip" was: 2453
fio/test_vasp_structure.py::TestXdatcarRoundtrip::test_roundtrip_single_atoms PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_roundtrip_single_atoms0
Global seed for "test/fio/test_vasp_structure.py:test_roundtrip_single_atoms" was: 3742
fio/test_vasp_structure.py::TestXdatcarRoundtrip::test_typeerror PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_typeerror0
Global seed for "test/fio/test_vasp_structure.py:test_typeerror" was: 4608
fio/test_vasp_structure.py::test_wrap PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_wrap0
Global seed for "test/fio/test_vasp_structure.py:test_wrap" was: 4454
fio/test_wout.py::test_wout PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_wout0
Global seed for "test/fio/test_wout.py:test_wout" was: 3156
fio/test_wout.py::test_wout_all PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_wout_all0
Global seed for "test/fio/test_wout.py:test_wout_all" was: 3254
fio/test_xsd_bond.py::test_xsd_bond PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_xsd_bond0
Global seed for "test/fio/test_xsd_bond.py:test_xsd_bond" was: 835
fio/test_xsf_spec.py::test_xsf_spec Read: 01-comments.xsf
  Images: 1
    Atoms(symbols='SZn', pbc=True, cell=[[2.71, 2.71, 0.0], [2.71, 0.0, 2.71], [0.0, 2.71, 2.71]])
Read: 01-comments-ignore-datagrid.xsf
  Images: 1
    Atoms(symbols='SZn', pbc=True, cell=[[2.71, 2.71, 0.0], [2.71, 0.0, 2.71], [0.0, 2.71, 2.71]])
Read: 01-comments-read-datagrid.xsf
  Images: 1
    Atoms(symbols='SZn', pbc=True, cell=[[2.71, 2.71, 0.0], [2.71, 0.0, 2.71], [0.0, 2.71, 2.71]])
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Read: 02-atoms.xsf
  Images: 1
    Atoms(symbols='CHF2OCF2OCHF2', pbc=False)
Read: 02-atoms-ignore-datagrid.xsf
  Images: 1
    Atoms(symbols='CHF2OCF2OCHF2', pbc=False)
Read: 02-atoms-read-datagrid.xsf
  Images: 1
    Atoms(symbols='CHF2OCF2OCHF2', pbc=False)
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Read: 03-periodic.xsf
  Images: 1
    Atoms(symbols='SZn', pbc=True, cell=[[0.0, 2.71, 2.71], [2.71, 0.0, 2.71], [2.71, 2.71, 0.0]])
Read: 03-periodic-ignore-datagrid.xsf
  Images: 1
    Atoms(symbols='SZn', pbc=True, cell=[[0.0, 2.71, 2.71], [2.71, 0.0, 2.71], [2.71, 2.71, 0.0]])
Read: 03-periodic-read-datagrid.xsf
  Images: 1
    Atoms(symbols='SZn', pbc=True, cell=[[0.0, 2.71, 2.71], [2.71, 0.0, 2.71], [2.71, 2.71, 0.0]])
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Read: 04-forces-atoms.xsf
  Images: 1
    Atoms(symbols='OH2', pbc=False, calculator=SinglePointCalculator(...))
Read: 04-forces-atoms-ignore-datagrid.xsf
  Images: 1
    Atoms(symbols='OH2', pbc=False, calculator=SinglePointCalculator(...))
Read: 04-forces-atoms-read-datagrid.xsf
  Images: 1
    Atoms(symbols='OH2', pbc=False, calculator=SinglePointCalculator(...))
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Read: 05-forces-slab.xsf
  Images: 1
    Atoms(symbols='CH2CH2OAg4', pbc=[True, True, False], cell=[5.8859828533, 5.8859828533, 1.0], calculator=SinglePointCalculator(...))
Read: 05-forces-slab-ignore-datagrid.xsf
  Images: 1
    Atoms(symbols='CH2CH2OAg4', pbc=[True, True, False], cell=[5.8859828533, 5.8859828533, 1.0], calculator=SinglePointCalculator(...))
Read: 05-forces-slab-read-datagrid.xsf
  Images: 1
    Atoms(symbols='CH2CH2OAg4', pbc=[True, True, False], cell=[5.8859828533, 5.8859828533, 1.0], calculator=SinglePointCalculator(...))
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Read: 06-anim-atoms.xsf
  Images: 4
    Atoms(symbols='OH2', pbc=False, calculator=SinglePointCalculator(...))
    Atoms(symbols='OH2', pbc=False, calculator=SinglePointCalculator(...))
    Atoms(symbols='OH2', pbc=False, calculator=SinglePointCalculator(...))
    Atoms(symbols='OH2', pbc=False, calculator=SinglePointCalculator(...))
Read: 06-anim-atoms-ignore-datagrid.xsf
  Images: 4
    Atoms(symbols='OH2', pbc=False, calculator=SinglePointCalculator(...))
    Atoms(symbols='OH2', pbc=False, calculator=SinglePointCalculator(...))
    Atoms(symbols='OH2', pbc=False, calculator=SinglePointCalculator(...))
    Atoms(symbols='OH2', pbc=False, calculator=SinglePointCalculator(...))
Read: 06-anim-atoms-read-datagrid.xsf
  Images: 4
    Atoms(symbols='OH2', pbc=False, calculator=SinglePointCalculator(...))
    Atoms(symbols='OH2', pbc=False, calculator=SinglePointCalculator(...))
    Atoms(symbols='OH2', pbc=False, calculator=SinglePointCalculator(...))
    Atoms(symbols='OH2', pbc=False, calculator=SinglePointCalculator(...))
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Read: 07-anim-crystal-fixcell.xsf
  Images: 2
    Atoms(symbols='SZn', pbc=True, cell=[[0.0, 2.71, 2.71], [2.71, 0.0, 2.71], [2.71, 2.71, 0.0]])
    Atoms(symbols='SZn', pbc=True, cell=[[0.0, 2.71, 2.71], [2.71, 0.0, 2.71], [2.71, 2.71, 0.0]])
Read: 07-anim-crystal-fixcell-ignore-datagrid.xsf
  Images: 2
    Atoms(symbols='SZn', pbc=True, cell=[[0.0, 2.71, 2.71], [2.71, 0.0, 2.71], [2.71, 2.71, 0.0]])
    Atoms(symbols='SZn', pbc=True, cell=[[0.0, 2.71, 2.71], [2.71, 0.0, 2.71], [2.71, 2.71, 0.0]])
Read: 07-anim-crystal-fixcell-read-datagrid.xsf
  Images: 2
    Atoms(symbols='SZn', pbc=True, cell=[[0.0, 2.71, 2.71], [2.71, 0.0, 2.71], [2.71, 2.71, 0.0]])
    Atoms(symbols='SZn', pbc=True, cell=[[0.0, 2.71, 2.71], [2.71, 0.0, 2.71], [2.71, 2.71, 0.0]])
[[[0.    1.    2.    3.    4.   ]
  [1.    1.414 2.236 3.162 4.123]
  [2.    2.236 2.828 3.606 4.472]
  [3.    3.162 3.606 4.243 5.   ]
  [4.    4.123 4.472 5.    5.657]]
 [[1.    1.414 2.236 3.162 4.123]
  [1.414 1.732 2.449 3.317 4.243]
  [2.236 2.449 3.    3.742 4.583]
  [3.162 3.317 3.742 4.359 5.099]
  [4.123 4.243 4.583 5.099 5.745]]
 [[2.    2.236 2.828 3.606 4.472]
  [2.236 2.449 3.    3.742 4.583]
  [2.828 3.    3.464 4.123 4.899]
  [3.606 3.742 4.123 4.69  5.385]
  [4.472 4.583 4.899 5.385 6.   ]]
 [[5.196 5.292 5.568 6.    6.557]
  [5.292 5.385 5.657 6.083 6.633]
  [5.568 5.657 5.916 6.325 6.856]
  [6.    6.083 6.325 6.708 7.211]
  [6.557 6.633 6.856 7.211 7.681]]
 [[8.    8.062 8.246 8.544 8.944]
  [8.062 8.124 8.307 8.602 9.   ]
  [8.246 8.307 8.485 8.775 9.165]
  [8.544 8.602 8.775 9.055 9.434]
  [8.944 9.    9.165 9.434 9.798]]]
[[[0.    1.    2.    3.    4.   ]
  [1.    1.414 2.236 3.162 4.123]
  [2.    2.236 2.828 3.606 4.472]
  [3.    3.162 3.606 4.243 5.   ]
  [4.    4.123 4.472 5.    5.657]]
 [[1.    1.414 2.236 3.162 4.123]
  [1.414 1.732 2.449 3.317 4.243]
  [2.236 2.449 3.    3.742 4.583]
  [3.162 3.317 3.742 4.359 5.099]
  [4.123 4.243 4.583 5.099 5.745]]
 [[2.    2.236 2.828 3.606 4.472]
  [2.236 2.449 3.    3.742 4.583]
  [2.828 3.    3.464 4.123 4.899]
  [3.606 3.742 4.123 4.69  5.385]
  [4.472 4.583 4.899 5.385 6.   ]]
 [[5.196 5.292 5.568 6.    6.557]
  [5.292 5.385 5.657 6.083 6.633]
  [5.568 5.657 5.916 6.325 6.856]
  [6.    6.083 6.325 6.708 7.211]
  [6.557 6.633 6.856 7.211 7.681]]
 [[8.    8.062 8.246 8.544 8.944]
  [8.062 8.124 8.307 8.602 9.   ]
  [8.246 8.307 8.485 8.775 9.165]
  [8.544 8.602 8.775 9.055 9.434]
  [8.944 9.    9.165 9.434 9.798]]]
Read: 08-anim-crystal-varcell.xsf
  Images: 2
    Atoms(symbols='SZn', pbc=True, cell=[[2.71, 2.71, 0.0], [2.71, 0.0, 2.71], [0.0, 2.71, 2.71]])
    Atoms(symbols='SZn', pbc=True, cell=[[2.981, 2.981, 0.0], [2.981, 0.0, 2.981], [0.0, 2.981, 2.981]])
Read: 08-anim-crystal-varcell-ignore-datagrid.xsf
  Images: 2
    Atoms(symbols='SZn', pbc=True, cell=[[2.71, 2.71, 0.0], [2.71, 0.0, 2.71], [0.0, 2.71, 2.71]])
    Atoms(symbols='SZn', pbc=True, cell=[[2.981, 2.981, 0.0], [2.981, 0.0, 2.981], [0.0, 2.981, 2.981]])
Read: 08-anim-crystal-varcell-read-datagrid.xsf
  Images: 2
    Atoms(symbols='SZn', pbc=True, cell=[[2.71, 2.71, 0.0], [2.71, 0.0, 2.71], [0.0, 2.71, 2.71]])
    Atoms(symbols='SZn', pbc=True, cell=[[2.981, 2.981, 0.0], [2.981, 0.0, 2.981], [0.0, 2.981, 2.981]])
[[[0.    1.    2.    3.    4.   ]
  [1.    1.414 2.236 3.162 4.123]
  [2.    2.236 2.828 3.606 4.472]
  [3.    3.162 3.606 4.243 5.   ]
  [4.    4.123 4.472 5.    5.657]]
 [[1.    1.414 2.236 3.162 4.123]
  [1.414 1.732 2.449 3.317 4.243]
  [2.236 2.449 3.    3.742 4.583]
  [3.162 3.317 3.742 4.359 5.099]
  [4.123 4.243 4.583 5.099 5.745]]
 [[2.    2.236 2.828 3.606 4.472]
  [2.236 2.449 3.    3.742 4.583]
  [2.828 3.    3.464 4.123 4.899]
  [3.606 3.742 4.123 4.69  5.385]
  [4.472 4.583 4.899 5.385 6.   ]]
 [[5.196 5.292 5.568 6.    6.557]
  [5.292 5.385 5.657 6.083 6.633]
  [5.568 5.657 5.916 6.325 6.856]
  [6.    6.083 6.325 6.708 7.211]
  [6.557 6.633 6.856 7.211 7.681]]
 [[8.    8.062 8.246 8.544 8.944]
  [8.062 8.124 8.307 8.602 9.   ]
  [8.246 8.307 8.485 8.775 9.165]
  [8.544 8.602 8.775 9.055 9.434]
  [8.944 9.    9.165 9.434 9.798]]]
[[[0.    1.    2.    3.    4.   ]
  [1.    1.414 2.236 3.162 4.123]
  [2.    2.236 2.828 3.606 4.472]
  [3.    3.162 3.606 4.243 5.   ]
  [4.    4.123 4.472 5.    5.657]]
 [[1.    1.414 2.236 3.162 4.123]
  [1.414 1.732 2.449 3.317 4.243]
  [2.236 2.449 3.    3.742 4.583]
  [3.162 3.317 3.742 4.359 5.099]
  [4.123 4.243 4.583 5.099 5.745]]
 [[2.    2.236 2.828 3.606 4.472]
  [2.236 2.449 3.    3.742 4.583]
  [2.828 3.    3.464 4.123 4.899]
  [3.606 3.742 4.123 4.69  5.385]
  [4.472 4.583 4.899 5.385 6.   ]]
 [[5.196 5.292 5.568 6.    6.557]
  [5.292 5.385 5.657 6.083 6.633]
  [5.568 5.657 5.916 6.325 6.856]
  [6.    6.083 6.325 6.708 7.211]
  [6.557 6.633 6.856 7.211 7.681]]
 [[8.    8.062 8.246 8.544 8.944]
  [8.062 8.124 8.307 8.602 9.   ]
  [8.246 8.307 8.485 8.775 9.165]
  [8.544 8.602 8.775 9.055 9.434]
  [8.944 9.    9.165 9.434 9.798]]]
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_xsf_spec0
Global seed for "test/fio/test_xsf_spec.py:test_xsf_spec" was: 793
fio/test_xyz.py::test_single_write_and_read PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_single_write_and_read0
Global seed for "test/fio/test_xyz.py:test_single_write_and_read" was: 10068
fio/test_xyz.py::test_single_write_with_forces PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_single_write_with_forces0
Global seed for "test/fio/test_xyz.py:test_single_write_with_forces" was: 364
fio/test_xyz.py::test_single_write_and_read_with_comment PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_single_write_and_read_wit0
Global seed for "test/fio/test_xyz.py:test_single_write_and_read_with_comment" was: 523
fio/test_xyz.py::test_single_write_with_newline_comment[xyz] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_single_write_with_newline0
Global seed for "test/fio/test_xyz.py:test_single_write_with_newline_comment" was: 7051
fio/test_xyz.py::test_single_write_with_newline_comment[extxyz] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_single_write_with_newline1
Global seed for "test/fio/test_xyz.py:test_single_write_with_newline_comment" was: 7051
fio/test_xyz.py::test_multiple_write_and_read PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_multiple_write_and_read0
Global seed for "test/fio/test_xyz.py:test_multiple_write_and_read" was: 11097
fio/vasp/test_poscar.py::test_read_poscar_no_species PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_poscar_no_species0
Global seed for "test/fio/vasp/test_poscar.py:test_read_poscar_no_species" was: 5892
fio/vasp/test_read_vasp_xml.py::test_atoms PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_atoms0
Global seed for "test/fio/vasp/test_read_vasp_xml.py:test_atoms" was: 3761
fio/vasp/test_read_vasp_xml.py::test_calculation PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_calculation0
Global seed for "test/fio/vasp/test_read_vasp_xml.py:test_calculation" was: 11564
fio/vasp/test_read_vasp_xml.py::test_two_calculations PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_two_calculations0
Global seed for "test/fio/vasp/test_read_vasp_xml.py:test_two_calculations" was: 7437
fio/vasp/test_read_vasp_xml.py::test_corrupted_calculation PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_corrupted_calculation0
Global seed for "test/fio/vasp/test_read_vasp_xml.py:test_corrupted_calculation" was: 3719
fio/vasp/test_read_vasp_xml.py::test_vasp_parameters PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_parameters0
Global seed for "test/fio/vasp/test_read_vasp_xml.py:test_vasp_parameters" was: 2835
fio/vasp/test_vasp_out.py::test_vasp_out PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_out0
Global seed for "test/fio/vasp/test_vasp_out.py:test_vasp_out" was: 4348
fio/vasp/test_vasp_out.py::test_vasp_out_kpoints PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_out_kpoints0
Global seed for "test/fio/vasp/test_vasp_out.py:test_vasp_out_kpoints" was: 9511
fio/vasp/test_vasp_out.py::test_vasp_kpt_value[0-0-98--3.7404-0.50014] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_kpt_value_0_0_98__3_0
Global seed for "test/fio/vasp/test_vasp_out.py:test_vasp_kpt_value" was: 2516
fio/vasp/test_vasp_out.py::test_vasp_kpt_value[0-1-82--3.7208-0.33798] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_kpt_value_0_1_82__3_0
Global seed for "test/fio/vasp/test_vasp_out.py:test_vasp_kpt_value" was: 2516
fio/vasp/test_vasp_out.py::test_vasp_kpt_value[0-1-36--4.9193-1.0] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_kpt_value_0_1_36__4_0
Global seed for "test/fio/vasp/test_vasp_out.py:test_vasp_kpt_value" was: 2516
fio/vasp/test_vasp_out.py::test_vasp_out_pbc PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vasp_out_pbc0
Global seed for "test/fio/vasp/test_vasp_out.py:test_vasp_out_pbc" was: 5573
fio/vasp/test_vasp_out.py::test_read_vasp_multiple_times Atoms(symbols='Ni18', pbc=True, cell=[17.93435, 17.93435, 17.93435], calculator=SinglePointDFTCalculator(...))
Atoms(symbols='Ni18', pbc=True, cell=[17.93435, 17.93435, 17.93435], calculator=SinglePointDFTCalculator(...))
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_vasp_multiple_times0
Global seed for "test/fio/vasp/test_vasp_out.py:test_read_vasp_multiple_times" was: 5010
fio/vasp/test_vasp_outcar_parsers.py::test_convert_stress[stress0-expected0] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_convert_stress_stress0_ex0
Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_convert_stress" was: 127
fio/vasp/test_vasp_outcar_parsers.py::test_stress[stress1] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_stress_stress1_0
Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_stress" was: 486
fio/vasp/test_vasp_outcar_parsers.py::test_stress[stress2] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_stress_stress2_0
Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_stress" was: 486
fio/vasp/test_vasp_outcar_parsers.py::test_stress_problematic[stress1] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_stress_problematic_stress0
Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_stress_problematic" was: 508
fio/vasp/test_vasp_outcar_parsers.py::test_cell_parser PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_cell_parser0
Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_cell_parser" was: 11504
fio/vasp/test_vasp_outcar_parsers.py::test_position_and_forces PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_position_and_forces0
Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_position_and_forces" was: 5611
fio/vasp/test_vasp_outcar_parsers.py::test_magmom PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_magmom1
Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_magmom" was: 1228
fio/vasp/test_vasp_outcar_parsers.py::test_magmom_wrong_line PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_magmom_wrong_line0
Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_magmom_wrong_line" was: 11993
fio/vasp/test_vasp_outcar_parsers.py::test_magmoms PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_magmoms0
Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_magmoms" was: 8633
fio/vasp/test_vasp_outcar_parsers.py::test_energy PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_energy0
Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_energy" was: 3390
fio/vasp/test_vasp_outcar_parsers.py::test_efermi PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_efermi0
Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_efermi" was: 8518
fio/vasp/test_vasp_outcar_parsers.py::test_kpoints PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_kpoints0
Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_kpoints" was: 11947
fio/vasp/test_vasp_outcar_parsers.py::test_kpoints_header PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_kpoints_header0
Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_kpoints_header" was: 7728
fio/vasp/test_vasp_outcar_parsers.py::test_parse_potcar_in_outcar[ POTCAR:    PAW_PBE Ni 02Aug2007-expected0] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_potcar_in_outcar__P0
Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_parse_potcar_in_outcar" was: 8854
fio/vasp/test_vasp_outcar_parsers.py::test_parse_potcar_in_outcar[ POTCAR:    PAW_PBE Fe_pv 02Aug2007-expected1] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_potcar_in_outcar__P1
Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_parse_potcar_in_outcar" was: 8854
fio/vasp/test_vasp_outcar_parsers.py::test_parse_potcar_in_outcar[ POTCAR:    H  1/r potential-expected2] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_potcar_in_outcar__P2
Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_parse_potcar_in_outcar" was: 8854
fio/vasp/test_vasp_outcar_parsers.py::test_parse_potcar_in_outcar[ POTCAR:    PAW_PBE H1.25 07Sep2000-expected3] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_potcar_in_outcar__P3
Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_parse_potcar_in_outcar" was: 8854
fio/vasp/test_vasp_outcar_parsers.py::test_parse_potcar_in_outcar[ POTCAR:    PAW Ca_sv_GW 31Mar2010-expected4] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_potcar_in_outcar__P4
Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_parse_potcar_in_outcar" was: 8854
fio/vasp/test_vasp_outcar_parsers.py::test_parse_potcar_parse_error[ POTCAR:    PAW_PBE Nis 02Aug2007] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_potcar_parse_error_0
Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_parse_potcar_parse_error" was: 9551
fio/vasp/test_vasp_outcar_parsers.py::test_parse_potcar_parse_error[ POTCAR:    PAW_PBE M 02Aug2007] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_parse_potcar_parse_error_1
Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_parse_potcar_parse_error" was: 9551
fio/vasp/test_vasp_outcar_parsers.py::test_ions_per_species[ions1] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ions_per_species_ions1_0
Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_ions_per_species" was: 11104
fio/vasp/test_vasp_outcar_parsers.py::test_ions_per_species[ions2] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ions_per_species_ions2_0
Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_ions_per_species" was: 11104
fio/vasp/test_vasp_outcar_parsers.py::test_potcar_repeated_entry PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_potcar_repeated_entry0
Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_potcar_repeated_entry" was: 5617
fio/vasp/test_vasp_outcar_parsers.py::test_default_header_parser_make_parsers PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_default_header_parser_mak0
Global seed for "test/fio/vasp/test_vasp_outcar_parsers.py:test_default_header_parser_make_parsers" was: 1768
fio/vasp/test_vasp_poscar.py::test_read_write_roundtrip[True-POSCAR] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_write_roundtrip_True0
Global seed for "test/fio/vasp/test_vasp_poscar.py:test_read_write_roundtrip" was: 11943
fio/vasp/test_vasp_poscar.py::test_read_write_roundtrip[True-CONTCAR] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_write_roundtrip_True1
Global seed for "test/fio/vasp/test_vasp_poscar.py:test_read_write_roundtrip" was: 11943
fio/vasp/test_vasp_poscar.py::test_read_write_roundtrip[False-POSCAR] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_write_roundtrip_Fals0
Global seed for "test/fio/vasp/test_vasp_poscar.py:test_read_write_roundtrip" was: 11943
fio/vasp/test_vasp_poscar.py::test_read_write_roundtrip[False-CONTCAR] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_read_write_roundtrip_Fals1
Global seed for "test/fio/vasp/test_vasp_poscar.py:test_read_write_roundtrip" was: 11943
fio/vasp/test_vasp_poscar.py::test_write_vasp5[kwargs0-POSCAR] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_vasp5_kwargs0_POSCA0
Global seed for "test/fio/vasp/test_vasp_poscar.py:test_write_vasp5" was: 11185
fio/vasp/test_vasp_poscar.py::test_write_vasp5[kwargs0-CONTCAR] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_vasp5_kwargs0_CONTC0
Global seed for "test/fio/vasp/test_vasp_poscar.py:test_write_vasp5" was: 11185
fio/vasp/test_vasp_poscar.py::test_write_vasp5[kwargs1-POSCAR] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_vasp5_kwargs1_POSCA0
Global seed for "test/fio/vasp/test_vasp_poscar.py:test_write_vasp5" was: 11185
fio/vasp/test_vasp_poscar.py::test_write_vasp5[kwargs1-CONTCAR] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_write_vasp5_kwargs1_CONTC0
Global seed for "test/fio/vasp/test_vasp_poscar.py:test_write_vasp5" was: 11185
forcefields/test_acn.py::test_acn [[-0.01947952  0.01171301  0.        ]
 [-0.03766809  0.10079281  0.        ]
 [ 0.03943828  0.04307678  0.        ]
 [ 0.01947952 -0.01171301  0.        ]
 [ 0.03766809 -0.10079281  0.        ]
 [-0.03943828 -0.04307678  0.        ]]
[[ 9.01121785e-10 -8.10346392e-08  0.00000000e+00]
 [ 7.70121648e-09 -2.48202503e-07  0.00000000e+00]
 [-4.22865243e-10 -6.09350621e-08  0.00000000e+00]
 [-9.01121781e-10  8.10345837e-08  0.00000000e+00]
 [-7.70123035e-09  2.48202503e-07  0.00000000e+00]
 [ 4.22865236e-10  6.09350066e-08  0.00000000e+00]]
PASSEDGlobal seed for "test/forcefields/test_acn.py:test_acn" was: 1809
forcefields/test_aic.py::test_aic [[ 0.00000000e+00  0.00000000e+00 -8.80870488e-10]
 [ 0.00000000e+00  0.00000000e+00 -4.51397142e-10]]
PASSEDGlobal seed for "test/forcefields/test_aic.py:test_aic" was: 2971
forcefields/test_combine_mm.py::test_combine_mm <class 'ase.calculators.tip3p.TIP3P'>
[[-6.38378239e-16  0.00000000e+00  0.00000000e+00]
 [ 1.38777878e-17  0.00000000e+00 -3.46944695e-18]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 6.66133815e-16  0.00000000e+00  3.46944695e-18]
 [ 6.93889390e-18  1.73472348e-18  0.00000000e+00]
 [ 6.93889390e-18 -1.73472348e-18  0.00000000e+00]]
<class 'ase.calculators.tip4p.TIP4P'>
[[ 3.33066907e-16  0.00000000e+00 -8.67361738e-19]
 [-3.46944695e-18  0.00000000e+00  1.30104261e-18]
 [ 1.38777878e-17  0.00000000e+00  1.30104261e-18]
 [-3.33066907e-16  0.00000000e+00 -1.73472348e-18]
 [-1.73472348e-17  0.00000000e+00  0.00000000e+00]
 [-1.73472348e-17  0.00000000e+00  0.00000000e+00]]
TIP3P/TIP4P
[[ 1.97537542e-10  0.00000000e+00  0.00000000e+00]
 [ 5.96086860e-11  0.00000000e+00  3.45333415e-11]
 [-1.68935685e-10  0.00000000e+00  0.00000000e+00]
 [-6.50236587e-10  0.00000000e+00  1.20945337e-10]
 [ 1.94276536e-10  7.22125641e-11  6.10385384e-11]
 [-8.32792203e-11 -3.49768320e-10  6.10385384e-11]]
PASSEDGlobal seed for "test/forcefields/test_combine_mm.py:test_combine_mm" was: 1189
forcefields/test_combine_mm2.py::test_combine_mm2 combinemm:                    [0, 1, 2]: Same Geometry as TIP3P
combinemm:                    [3, 4, 5]: Same Geometry as TIP3P
combinemm:                    [6, 7, 8]: Same Geometry as TIP3P
combinemm:                  [9, 10, 11]: Same Geometry as TIP3P
combinemm:           [0, 1, 2, 3, 4, 5]: Same Geometry as TIP3P
combinemm:  [0, 1, 2, 3, 4, 5, 6, 7, 8]: Same Geometry as TIP3P
combinemm:         [6, 7, 8, 9, 10, 11]: Same Geometry as TIP3P
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_combine_mm20
Global seed for "test/forcefields/test_combine_mm2.py:test_combine_mm2" was: 6830
forcefields/test_counterions.py::test_counterions PASSEDGlobal seed for "test/forcefields/test_counterions.py:test_counterions" was: 964
forcefields/test_forceqmmm.py::test_qm_buffer_mask N_cell 10 N_MM 4000 Size 36.1
PASSEDGlobal seed for "test/forcefields/test_forceqmmm.py:test_qm_buffer_mask" was: 12336
forcefields/test_forceqmmm.py::test_qm_pbc[kwargs0] PASSEDGlobal seed for "test/forcefields/test_forceqmmm.py:test_qm_pbc" was: 6334
forcefields/test_forceqmmm.py::test_qm_pbc[kwargs1] PASSEDGlobal seed for "test/forcefields/test_forceqmmm.py:test_qm_pbc" was: 6334
forcefields/test_forceqmmm.py::test_qm_pbc[kwargs2] PASSEDGlobal seed for "test/forcefields/test_forceqmmm.py:test_qm_pbc" was: 6334
forcefields/test_forceqmmm.py::test_qm_pbc[kwargs3] PASSEDGlobal seed for "test/forcefields/test_forceqmmm.py:test_qm_pbc" was: 6334
forcefields/test_forceqmmm.py::test_qm_pbc[kwargs4] PASSEDGlobal seed for "test/forcefields/test_forceqmmm.py:test_qm_pbc" was: 6334
forcefields/test_forceqmmm.py::test_qm_pbc[kwargs5] PASSEDGlobal seed for "test/forcefields/test_forceqmmm.py:test_qm_pbc" was: 6334
forcefields/test_forceqmmm.py::test_qm_pbc[kwargs6] PASSEDGlobal seed for "test/forcefields/test_forceqmmm.py:test_qm_pbc" was: 6334
forcefields/test_forceqmmm.py::test_qm_pbc[kwargs7] PASSEDGlobal seed for "test/forcefields/test_forceqmmm.py:test_qm_pbc" was: 6334
forcefields/test_forceqmmm.py::test_rescaled_calculator PASSEDGlobal seed for "test/forcefields/test_forceqmmm.py:test_rescaled_calculator" was: 12254
forcefields/test_forceqmmm.py::test_forceqmmm 31
N_cell 2 N_MM 31 Size 7.22
      Step     Time          Energy         fmax
*Force-consistent energies used in optimization.
FIRE:    0 09:19:34        1.074467*       0.0784
FIRE:    1 09:19:34        1.073756*       0.0728
FIRE:    2 09:19:34        1.072530*       0.0621
FIRE:    3 09:19:34        1.071126*       0.0471
FIRE:    4 09:19:34        1.069919*       0.0289
FIRE:    5 09:19:34        1.069212*       0.0132
FIRE:    6 09:19:34        1.069125*       0.0119
FIRE:    7 09:19:34        1.069117*       0.0116
FIRE:    8 09:19:34        1.069104*       0.0109
FIRE:    9 09:19:34        1.069085*       0.0100
FIRE:   10 09:19:34        1.069063*       0.0088
FIRE:   11 09:19:34        1.069040*       0.0073
FIRE:   12 09:19:34        1.069019*       0.0056
FIRE:   13 09:19:34        1.069001*       0.0041
FIRE:   14 09:19:35        1.068988*       0.0025
FIRE:   15 09:19:35        1.068983*       0.0007
R_QM             3   N_QM        12
R_QM + buffer: 13.75 N_QM_buffer 31
                     N_total:    31
      Step     Time          Energy         fmax
FIRE:    0 09:19:35        0.000000        0.0784
FIRE:    1 09:19:35        0.000000        0.0727
FIRE:    2 09:19:35        0.000000        0.0618
FIRE:    3 09:19:35        0.000000        0.0464
FIRE:    4 09:19:35        0.000000        0.0276
FIRE:    5 09:19:35        0.000000        0.0068
FIRE:    6 09:19:35        0.000000        0.0143
FIRE:    7 09:19:35        0.000000        0.0140
FIRE:    8 09:19:35        0.000000        0.0135
FIRE:    9 09:19:35        0.000000        0.0127
FIRE:   10 09:19:35        0.000000        0.0116
FIRE:   11 09:19:35        0.000000        0.0104
FIRE:   12 09:19:35        0.000000        0.0089
FIRE:   13 09:19:35        0.000000        0.0072
FIRE:   14 09:19:35        0.000000        0.0053
FIRE:   15 09:19:35        0.000000        0.0029
FIRE:   16 09:19:35        0.000000        0.0013
FIRE:   17 09:19:35        0.000000        0.0025
FIRE:   18 09:19:36        0.000000        0.0025
FIRE:   19 09:19:36        0.000000        0.0025
FIRE:   20 09:19:36        0.000000        0.0024
FIRE:   21 09:19:36        0.000000        0.0023
FIRE:   22 09:19:36        0.000000        0.0022
FIRE:   23 09:19:36        0.000000        0.0021
FIRE:   24 09:19:36        0.000000        0.0019
FIRE:   25 09:19:36        0.000000        0.0017
FIRE:   26 09:19:36        0.000000        0.0015
FIRE:   27 09:19:36        0.000000        0.0013
FIRE:   28 09:19:36        0.000000        0.0009
R_QM             7   N_QM        31
R_QM + buffer: 17.75 N_QM_buffer 31
                     N_total:    31
      Step     Time          Energy         fmax
FIRE:    0 09:19:36        0.000000        0.0784
FIRE:    1 09:19:36        0.000000        0.0728
FIRE:    2 09:19:36        0.000000        0.0621
FIRE:    3 09:19:36        0.000000        0.0471
FIRE:    4 09:19:36        0.000000        0.0289
FIRE:    5 09:19:36        0.000000        0.0132
FIRE:    6 09:19:36        0.000000        0.0119
FIRE:    7 09:19:36        0.000000        0.0116
FIRE:    8 09:19:36        0.000000        0.0109
FIRE:    9 09:19:37        0.000000        0.0100
FIRE:   10 09:19:37        0.000000        0.0088
FIRE:   11 09:19:37        0.000000        0.0073
FIRE:   12 09:19:37        0.000000        0.0056
FIRE:   13 09:19:37        0.000000        0.0041
FIRE:   14 09:19:37        0.000000        0.0025
FIRE:   15 09:19:37        0.000000        0.0007
du_local [0.01593325257442579, 1.1095296611823914e-14]
du_global [0.03523765986207392, 1.6233636572716412e-14]
PASSEDGlobal seed for "test/forcefields/test_forceqmmm.py:test_forceqmmm" was: 2923
forcefields/test_forceqmmm.py::test_export_xyz PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_export_xyz0
Global seed for "test/forcefields/test_forceqmmm.py:test_export_xyz" was: 3536
forcefields/test_forceqmmm.py::test_set_masks_from_region PASSEDGlobal seed for "test/forcefields/test_forceqmmm.py:test_set_masks_from_region" was: 1496
forcefields/test_forceqmmm.py::test_import_xyz PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_import_xyz0
Global seed for "test/forcefields/test_forceqmmm.py:test_import_xyz" was: 890
forcefields/test_qmmm.py::test_qmmm                tip3p: 0.269 0.284 2.748 24.1
   tip3p-tip3p+tip3p: 0.269 0.284 2.748 24.1
   tip3p-tip3p+tip3p: 0.269 0.284 2.748 24.1
      tip3p+LJ+tip3p: 0.269 0.284 2.748 24.1
      tip3p+LJ+tip3p: 0.269 0.284 2.748 24.1
      tip3p+LJ+tip3p: 0.269 0.284 2.748 24.1
tip3p+LJ-general+tip3p: 0.269 0.284 2.748 24.1
tip3p+LJ-general+tip3p: 0.269 0.284 2.748 24.1
tip3p+LJ-general+tip3p: 0.269 0.284 2.748 24.1
           reference: 9.999 0.282 2.740 27.0
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_qmmm0
Global seed for "test/forcefields/test_qmmm.py:test_qmmm" was: 7117
forcefields/test_qmmm_acn.py::test_qmmm_acn                       acn: 0.200 3.591 82.0
              acn-acn+acn: 0.200 3.591 82.0
              acn-acn+acn: 0.200 3.591 82.0
       acn+LJ-general+acn: 0.200 3.591 82.0
       acn+LJ-general+acn: 0.200 3.591 82.0
       acn+LJ-general+acn: 0.200 3.591 82.0
                reference: 0.212 3.368 79.1
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_qmmm_acn0
Global seed for "test/forcefields/test_qmmm_acn.py:test_qmmm_acn" was: 1356
forcefields/test_rattle.py::test_rattle PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_rattle0
Global seed for "test/forcefields/test_rattle.py:test_rattle" was: 2641
forcefields/test_rattle_linear.py::test_rattle_linear PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_rattle_linear0
Global seed for "test/forcefields/test_rattle_linear.py:test_rattle_linear" was: 10891
forcefields/test_tip4p.py::test_tip4p [[-0.1882421   0.          0.00732781]
 [-0.01205091  0.         -0.01020988]
 [ 0.2515391   0.          0.00057548]
 [-0.50727973  0.         -0.00996955]
 [ 0.22801682  0.23940563  0.00613807]
 [ 0.22801682 -0.23940563  0.00613807]]
[[-1.77034898e-06  0.00000000e+00 -1.52494296e-08]
 [ 4.98714067e-09  0.00000000e+00  2.50521871e-09]
 [ 4.38288874e-07  0.00000000e+00  3.02587019e-10]
 [ 8.53379896e-07  0.00000000e+00 -2.17746237e-08]
 [ 2.06886079e-08 -8.74119326e-08  5.71923396e-09]
 [ 2.06886079e-08  8.74119326e-08  5.71923396e-09]]
PASSEDGlobal seed for "test/forcefields/test_tip4p.py:test_tip4p" was: 3434
forcefields/test_tipnp.py::test_tipnp [[-0.33631511  0.          0.        ]
 [ 0.09594939  0.         -0.03965782]
 [ 0.47685712  0.          0.        ]
 [-0.40041748  0.          0.09367885]
 [ 0.08196304  0.03785059 -0.02701051]
 [ 0.08196304 -0.03785059 -0.02701051]]
[[-1.93421874e-06  1.11022302e-13  0.00000000e+00]
 [ 1.30214255e-08 -2.77555756e-14  6.92856109e-09]
 [ 2.23793061e-07  0.00000000e+00  0.00000000e+00]
 [ 1.32408364e-06  0.00000000e+00 -3.05282828e-08]
 [ 1.50148735e-08 -1.01138136e-08  2.50630884e-09]
 [ 1.50149291e-08  1.01139524e-08  2.50628108e-09]]
[[-0.36205337  0.         -0.02794473]
 [ 0.07935187  0.         -0.01949287]
 [ 0.4951439   0.          0.02406826]
 [-0.42616804  0.          0.05685851]
 [ 0.10686282  0.05157736 -0.01674459]
 [ 0.10686282 -0.05157736 -0.01674459]]
[[-1.68165253e-06  0.00000000e+00 -3.43797065e-08]
 [ 8.01008074e-09  0.00000000e+00  9.53256249e-09]
 [ 2.23364167e-07  0.00000000e+00  2.23588657e-09]
 [ 1.36187665e-06  0.00000000e+00  2.41275252e-08]
 [ 2.05433512e-08 -1.43523797e-08 -1.30347541e-09]
 [ 2.05433512e-08  1.43523797e-08 -1.30347541e-09]]
PASSEDGlobal seed for "test/forcefields/test_tipnp.py:test_tipnp" was: 7144
ga/test_add_candidates.py::test_add_candidates PASSEDGlobal seed for "test/ga/test_add_candidates.py:test_add_candidates" was: 10533
ga/test_basic_example_main_run.py::test_basic_example_main_run[0] Relaxing starting candidate 2
Relaxing starting candidate 3
Relaxing starting candidate 4
Relaxing starting candidate 5
Relaxing starting candidate 6
Now starting configuration number 0
Now starting configuration number 1
Now starting configuration number 2
Now starting configuration number 3
Now starting configuration number 4
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_basic_example_main_run_0_0
Global seed for "test/ga/test_basic_example_main_run.py:test_basic_example_main_run" was: 8776
ga/test_bulk_operators.py::test_bulk_operators[0] PASSEDGlobal seed for "test/ga/test_bulk_operators.py:test_bulk_operators" was: 3049
ga/test_chain_operators.py::test_chain_operators[0] PASSEDGlobal seed for "test/ga/test_chain_operators.py:test_chain_operators" was: 2173
ga/test_create_database.py::test_create_database PASSEDGlobal seed for "test/ga/test_create_database.py:test_create_database" was: 836
ga/test_cutandsplicepairing.py::test_cutandsplicepairing[0] PASSEDGlobal seed for "test/ga/test_cutandsplicepairing.py:test_cutandsplicepairing" was: 10918
ga/test_database_logic.py::test_database_logic[0] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_database_logic_0_0
Global seed for "test/ga/test_database_logic.py:test_database_logic" was: 10984
ga/test_element_operators.py::test_element_operators[0] PASSEDGlobal seed for "test/ga/test_element_operators.py:test_element_operators" was: 9333
ga/test_film_operators.py::test_film_operators[0] PASSEDGlobal seed for "test/ga/test_film_operators.py:test_film_operators" was: 5998
ga/test_mutations.py::test_mutations[0] PASSEDGlobal seed for "test/ga/test_mutations.py:test_mutations" was: 9073
ga/test_particle_comparators.py::test_particle_comparators[0] PASSEDGlobal seed for "test/ga/test_particle_comparators.py:test_particle_comparators" was: 1899
ga/test_particle_operators.py::test_particle_operators[0] PASSEDGlobal seed for "test/ga/test_particle_operators.py:test_particle_operators" was: 1302
ga/test_slab_operators.py::test_cut_splice[0] PASSEDGlobal seed for "test/ga/test_slab_operators.py:test_cut_splice" was: 7487
ga/test_slab_operators.py::test_random_composition_mutation[0] PASSEDGlobal seed for "test/ga/test_slab_operators.py:test_random_composition_mutation" was: 10866
ga/test_slab_operators.py::test_random_element_mutation[0] PASSEDGlobal seed for "test/ga/test_slab_operators.py:test_random_element_mutation" was: 4669
ga/test_slab_operators.py::test_neighborhood_element_mutation[0] PASSEDGlobal seed for "test/ga/test_slab_operators.py:test_neighborhood_element_mutation" was: 11369
ga/test_slab_operators.py::test_random_permutation[0] PASSEDGlobal seed for "test/ga/test_slab_operators.py:test_random_permutation" was: 8504
ga/test_standardcomparator.py::test_standardcomparator PASSEDGlobal seed for "test/ga/test_standardcomparator.py:test_standardcomparator" was: 8382
ga/test_utilities.py::test_utilities PASSEDGlobal seed for "test/ga/test_utilities.py:test_utilities" was: 12150
gui/test_run.py::test_nanotube SKIPPED (no display)Global seed for "test/gui/test_run.py:test_nanotube" was: 2110
gui/test_run.py::test_nanoparticle SKIPPED (no display)Global seed for "test/gui/test_run.py:test_nanoparticle" was: 3430
gui/test_run.py::test_color SKIPPED (no display)Global seed for "test/gui/test_run.py:test_color" was: 7060
gui/test_run.py::test_settings SKIPPED (no display)Global seed for "test/gui/test_run.py:test_settings" was: 4184
gui/test_run.py::test_rotate SKIPPED (no display)Global seed for "test/gui/test_run.py:test_rotate" was: 10367
gui/test_run.py::test_open_and_save SKIPPED (no display)Global seed for "test/gui/test_run.py:test_open_and_save" was: 2217
gui/test_run.py::test_export_graphics[None] SKIPPED (no display)Global seed for "test/gui/test_run.py:test_export_graphics" was: 1230
gui/test_run.py::test_export_graphics[output.png] SKIPPED (no display)Global seed for "test/gui/test_run.py:test_export_graphics" was: 1230
gui/test_run.py::test_export_graphics[output.eps] SKIPPED (no display)Global seed for "test/gui/test_run.py:test_export_graphics" was: 1230
gui/test_run.py::test_export_graphics[output.pov] SKIPPED (no display)Global seed for "test/gui/test_run.py:test_export_graphics" was: 1230
gui/test_run.py::test_export_graphics[output.traj] SKIPPED (no display)Global seed for "test/gui/test_run.py:test_export_graphics" was: 1230
gui/test_run.py::test_export_graphics[output.traj@0] SKIPPED (no dis...)Global seed for "test/gui/test_run.py:test_export_graphics" was: 1230
gui/test_run.py::test_fracocc SKIPPED (no display)Global seed for "test/gui/test_run.py:test_fracocc" was: 402
gui/test_run.py::test_povray SKIPPED (no display)Global seed for "test/gui/test_run.py:test_povray" was: 9799
gui/test_run.py::test_select_atoms SKIPPED (no display)Global seed for "test/gui/test_run.py:test_select_atoms" was: 6103
gui/test_run.py::test_modify_element SKIPPED (no display)Global seed for "test/gui/test_run.py:test_modify_element" was: 1802
gui/test_run.py::test_modify_tag SKIPPED (no display)Global seed for "test/gui/test_run.py:test_modify_tag" was: 7557
gui/test_run.py::test_modify_magmom SKIPPED (no display)Global seed for "test/gui/test_run.py:test_modify_magmom" was: 1553
gui/test_run.py::test_repeat SKIPPED (no display)Global seed for "test/gui/test_run.py:test_repeat" was: 841
gui/test_run.py::test_surface SKIPPED (no display)Global seed for "test/gui/test_run.py:test_surface" was: 3457
gui/test_run.py::test_movie SKIPPED (no display)Global seed for "test/gui/test_run.py:test_movie" was: 6801
gui/test_run.py::test_reciprocal SKIPPED (no display)Global seed for "test/gui/test_run.py:test_reciprocal" was: 848
gui/test_run.py::test_bad_reciprocal SKIPPED (no display)Global seed for "test/gui/test_run.py:test_bad_reciprocal" was: 684
gui/test_run.py::test_add_atoms SKIPPED (no display)Global seed for "test/gui/test_run.py:test_add_atoms" was: 1834
gui/test_run.py::test_cell_editor SKIPPED (no display)Global seed for "test/gui/test_run.py:test_cell_editor" was: 6912
gui/test_run.py::test_constrain SKIPPED (no display)Global seed for "test/gui/test_run.py:test_constrain" was: 5034
gui/test_run.py::test_quickinfo[atoms0] SKIPPED (no display)Global seed for "test/gui/test_run.py:test_quickinfo" was: 2127
gui/test_run.py::test_quickinfo[atoms1] SKIPPED (no display)Global seed for "test/gui/test_run.py:test_quickinfo" was: 2127
gui/test_run.py::test_quickinfo[atoms2] SKIPPED (no display)Global seed for "test/gui/test_run.py:test_quickinfo" was: 2127
gui/test_run.py::test_quickinfo[atoms3] SKIPPED (no display)Global seed for "test/gui/test_run.py:test_quickinfo" was: 2127
gui/test_run.py::test_clipboard_copy SKIPPED (no display)Global seed for "test/gui/test_run.py:test_clipboard_copy" was: 8536
gui/test_run.py::test_clipboard_cut_paste SKIPPED (no display)Global seed for "test/gui/test_run.py:test_clipboard_cut_paste" was: 1477
gui/test_run.py::test_clipboard_paste_onto_empty SKIPPED (no display)Global seed for "test/gui/test_run.py:test_clipboard_paste_onto_empty" was: 790
gui/test_run.py::test_clipboard_paste_onto_existing SKIPPED (no display)Global seed for "test/gui/test_run.py:test_clipboard_paste_onto_existing" was: 6626
gui/test_run.py::test_clipboard_paste_invalid[] SKIPPED (no display)Global seed for "test/gui/test_run.py:test_clipboard_paste_invalid" was: 7013
gui/test_run.py::test_clipboard_paste_invalid[invalid_atoms] SKIPPEDGlobal seed for "test/gui/test_run.py:test_clipboard_paste_invalid" was: 7013
gui/test_run.py::test_clipboard_paste_invalid[[1, 2, 3]] SKIPPED (no...)Global seed for "test/gui/test_run.py:test_clipboard_paste_invalid" was: 7013
gui/test_run.py::test_callbacks SKIPPED (no display)Global seed for "test/gui/test_run.py:test_callbacks" was: 4884
lammpsdata/test_lammpsdata_read.py::test_lammpsdata_read PASSEDGlobal seed for "test/lammpsdata/test_lammpsdata_read.py:test_lammpsdata_read" was: 10439
lammpsdata/test_lammpsdata_write.py::test_lammpsdata_write PASSEDGlobal seed for "test/lammpsdata/test_lammpsdata_write.py:test_lammpsdata_write" was: 12265
md/test_CO2linear_Au111_langevin.py::test_CO2linear_Au111_langevin PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_CO2linear_Au111_langevin0
Global seed for "test/md/test_CO2linear_Au111_langevin.py:test_CO2linear_Au111_langevin" was: 3420
md/test_ce_curvature.py::test_curvature1 Target Radius (1/curvature)  2.500000 Ang
Radius (1/curvature)  2.498397 Ang
Radius (1/curvature)  2.498380 Ang
Radius (1/curvature)  2.498380 Ang
Radius (1/curvature)  2.498380 Ang
Radius (1/curvature)  2.498380 Ang
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_curvature10
Global seed for "test/md/test_ce_curvature.py:test_curvature1" was: 2533
md/test_ce_curvature.py::test_curvature2 Target Radius (1/curvature)  1.767767 Ang
Radius (1/curvature)  1.766633 Ang
Radius (1/curvature)  1.766622 Ang
Radius (1/curvature)  1.766622 Ang
Radius (1/curvature)  1.766622 Ang
Radius (1/curvature)  1.766622 Ang
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_curvature20
Global seed for "test/md/test_ce_curvature.py:test_curvature2" was: 6345
md/test_ce_logging.py::test_logging PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_logging0
Global seed for "test/md/test_ce_logging.py:test_logging" was: 4938
md/test_ce_potentiostat.py::test_potentiostat Energy Above Ground State:  0.1764 eV/atom
Potentiostat Error -0.0027 eV/atom
Potentiostat Error -0.0008 eV/atom
Potentiostat Error -0.0029 eV/atom
Potentiostat Error -0.0006 eV/atom
Potentiostat Error -0.0008 eV/atom
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_potentiostat0
Global seed for "test/md/test_ce_potentiostat.py:test_potentiostat" was: 1101
md/test_ce_potentiostat.py::test_potentiostat_no_fs Potentiostat Error  0.0021 eV/atom
Potentiostat Error  0.0030 eV/atom
Potentiostat Error  0.0029 eV/atom
Potentiostat Error  0.0028 eV/atom
Potentiostat Error  0.0028 eV/atom
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_potentiostat_no_fs0
Global seed for "test/md/test_ce_potentiostat.py:test_potentiostat_no_fs" was: 9593
md/test_fixrotation.py::test_fixrotation_asap SKIPPED (could not imp...)
md/test_idealgas.py::test_idealgas Temperature: 999.4926729965202 K
pV = 86.12958532839237  NkT = 86.12958532839238
pV = 86.12958532839237  NkT = 86.12958532839238
pV = 86.12958532839237  NkT = 86.12958532839238
pV = 86.12958532839237  NkT = 86.12958532839238
pV = 86.12958532839237  NkT = 86.12958532839238
PASSEDGlobal seed for "test/md/test_idealgas.py:test_idealgas" was: 9422
md/test_langevin_switching.py::test_langevin_switching PASSEDGlobal seed for "test/md/test_langevin_switching.py:test_langevin_switching" was: 5418
md/test_maxwellboltzmann.py::test_maxwellboltzmann Number of atoms: 500000
Temperature 0.09983830118346944  (should be 0.1)
PASSEDGlobal seed for "test/md/test_maxwellboltzmann.py:test_maxwellboltzmann" was: 10166
md/test_md.py::test_md -0.013377537371576764 -0.0006308656691879425
-0.013362480352311579 -0.0006308583194126055
-0.013317427094321488 -0.000630836337280935
-0.01324272991470643 -0.0006307999239848032
-0.013138972409450389 -0.0006307494129144456
-0.013006964086818229 -0.0006306852668938011
-0.01284773291809671 -0.0006306080743435083
-0.012662515869196866 -0.0006305185442466478
-0.012452747494702265 -0.0006304175001327281
-0.01222004669290655 -0.0006303058728938521
-0.01196620173787366 -0.000630184692850283
-0.011693153719875227 -0.0006300550805090847
-0.011402978542326636 -0.0006299182366585488
-0.011097867637122505 -0.0006297754315243067
-0.010780107574264619 -0.0006296279930402236
-0.01045205875449362 -0.0006294772946397777
-0.010116133383858639 -0.0006293247421062468
-0.009774772939916687 -0.0006291717602425889
-0.0094304253459363 -0.0006290197790044059
-0.009085522075844565 -0.0006288702192127002
-0.008742455417049655 -0.000628724478538064
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_md0
Global seed for "test/md/test_md.py:test_md" was: 8530
md/test_md_logger.py::test_optimizer[FIRE] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_optimizer_FIRE_0
Global seed for "test/md/test_md_logger.py:test_optimizer" was: 2342
md/test_md_logger.py::test_optimizer[BFGS] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_optimizer_BFGS_0
Global seed for "test/md/test_md_logger.py:test_optimizer" was: 2342
md/test_md_logger.py::test_md[cls_and_kwargs0] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_md_cls_and_kwargs0_0
Global seed for "test/md/test_md_logger.py:test_md" was: 6528
md/test_md_logger.py::test_md[cls_and_kwargs1] PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_md_cls_and_kwargs1_0
Global seed for "test/md/test_md_logger.py:test_md" was: 6528
md/test_md_logger_interval.py::test_optimization_log_and_trajectory_length[FIRE] Testing <class 'ase.optimize.fire.FIRE'>
Number of lines in log file: 11
Number of frames in trajectory: 10
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_optimization_log_and_traj0
Global seed for "test/md/test_md_logger_interval.py:test_optimization_log_and_trajectory_length" was: 11084
md/test_md_logger_interval.py::test_optimization_log_and_trajectory_length[BFGS] Testing <class 'ase.optimize.bfgs.BFGS'>
Number of lines in log file: 6
Number of frames in trajectory: 5
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_optimization_log_and_traj1
Global seed for "test/md/test_md_logger_interval.py:test_optimization_log_and_trajectory_length" was: 11084
md/test_md_logger_interval.py::test_md_log_and_trajectory_length[VelocityVerlet-kwargs0-1] Testing <class 'ase.md.verlet.VelocityVerlet'>
Number of lines in log file: 12
Number of frames in trajectory: 11
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_md_log_and_trajectory_len0
Global seed for "test/md/test_md_logger_interval.py:test_md_log_and_trajectory_length" was: 10494
md/test_md_logger_interval.py::test_md_log_and_trajectory_length[VelocityVerlet-kwargs0-2] Testing <class 'ase.md.verlet.VelocityVerlet'>
Number of lines in log file: 7
Number of frames in trajectory: 6
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_md_log_and_trajectory_len1
Global seed for "test/md/test_md_logger_interval.py:test_md_log_and_trajectory_length" was: 10494
md/test_md_logger_interval.py::test_md_log_and_trajectory_length[Langevin-kwargs1-1] Testing <class 'ase.md.langevin.Langevin'>
Number of lines in log file: 12
Number of frames in trajectory: 11
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_md_log_and_trajectory_len2
Global seed for "test/md/test_md_logger_interval.py:test_md_log_and_trajectory_length" was: 10494
md/test_md_logger_interval.py::test_md_log_and_trajectory_length[Langevin-kwargs1-2] Testing <class 'ase.md.langevin.Langevin'>
Number of lines in log file: 7
Number of frames in trajectory: 6
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_md_log_and_trajectory_len3
Global seed for "test/md/test_md_logger_interval.py:test_md_log_and_trajectory_length" was: 10494
md/test_nvt_npt.py::test_nvtberendsen SKIPPED (could not import 'asa...)
md/test_nvt_npt.py::test_nptberendsen SKIPPED (could not import 'asa...)
md/test_nvt_npt.py::test_npt SKIPPED (could not import 'asap3': No m...)
md/test_phonon_md_init.py::test_phonon_md_init SKIPPED (could not im...)
md/test_velocity_distribution.py::test_stationary PASSEDGlobal seed for "test/md/test_velocity_distribution.py:test_stationary" was: 10404
md/test_velocity_distribution.py::test_stationary_propagate PASSEDGlobal seed for "test/md/test_velocity_distribution.py:test_stationary_propagate" was: 4351
md/test_velocity_distribution.py::test_zero_rotation PASSEDGlobal seed for "test/md/test_velocity_distribution.py:test_zero_rotation" was: 159
md/test_verlet_thermostats_asap.py::test_verlet_thermostats_asap SKIPPED
neb/test_COCu111.py::test_COCu111                 Step[ FC]     Time          Energy          fmax
*Force-consistent energies used in optimization.
BFGSLineSearch:    0[  0] 09:20:00        2.863208*       0.1156
BFGSLineSearch:    1[  2] 09:20:00        2.857243*       0.0038
2.052315697087529
-2.052315697087525
2.052315697087525
                Step[ FC]     Time          Energy          fmax
*Force-consistent energies used in optimization.
BFGSLineSearch:    0[  0] 09:20:00        3.160652*       3.0966
BFGSLineSearch:    1[  1] 09:20:00        2.847655*       0.9458
BFGSLineSearch:    2[  2] 09:20:00        2.748030*       0.2746
BFGSLineSearch:    3[  3] 09:20:00        2.736343*       0.0914
BFGSLineSearch:    4[  4] 09:20:00        2.733960*       0.0664
BFGSLineSearch:    5[  5] 09:20:00        2.733130*       0.0347
                Step[ FC]     Time          Energy          fmax
*Force-consistent energies used in optimization.
BFGSLineSearch:    0[  0] 09:20:00        2.849879*       0.7967
BFGSLineSearch:    1[  1] 09:20:00        2.784380*       0.4619
BFGSLineSearch:    2[  2] 09:20:00        2.755185*       0.2113
BFGSLineSearch:    3[  4] 09:20:00        2.744543*       0.1404
BFGSLineSearch:    4[  5] 09:20:00        2.740011*       0.0842
BFGSLineSearch:    5[  6] 09:20:00        2.737246*       0.0633
BFGSLineSearch:    6[  7] 09:20:00        2.736108*       0.0371
[1.27279221 0.78505659 1.63323901] 2.7331298637678483
[1.61266146 0.99061032 1.64420544] 2.783208998739432
[1.9535841  1.17688499 1.64961274] 2.8275955225480924
[2.27715402 1.33434644 1.64330453] 2.7865929128430538
[2.58942558 1.49443748 1.63150671] 2.7361078607325227
      Step     Time          Energy         fmax
BFGS:    0 09:20:00        2.827596        0.5587
BFGS:    1 09:20:00        2.816567        0.4224
BFGS:    2 09:20:00        2.801912        0.1406
BFGS:    3 09:20:00        2.800882        0.1592
BFGS:    4 09:20:00        2.797129        0.1622
BFGS:    5 09:20:00        2.795089        0.1152
BFGS:    6 09:20:00        2.794057        0.1038
BFGS:    7 09:20:00        2.793502        0.1050
BFGS:    8 09:20:01        2.792604        0.0976
[1.27279221 0.78505659 1.63323901] 2.7331298637678483
[1.64932744 1.02830391 1.65975999] 2.764225536814484
[2.0018163  1.21766499 1.67455452] 2.792603690087141
[2.31055714 1.36409775 1.65659033] 2.769792356302905
[2.58942558 1.49443748 1.63150671] 2.7361078607325227
type optimization
optimizer BFGS
maxstep 0.04
interval 1
3.22.1
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_COCu1110
Global seed for "test/neb/test_COCu111.py:test_COCu111" was: 556
neb/test_COCu111_2.py::test_COCu111_2       Step     Time          Energy         fmax
BFGS:    0 09:20:01        2.808888        0.0775
BFGS:    1 09:20:01        2.808490        0.0706
BFGS:    2 09:20:01        2.807016        0.0397
      Step     Time          Energy         fmax
BFGS:    0 09:20:01        3.144034        3.2609
BFGS:    1 09:20:01        2.920974        2.0650
BFGS:    2 09:20:01        2.757101        0.7027
BFGS:    3 09:20:01        2.730038        0.4397
BFGS:    4 09:20:01        2.714941        0.3856
BFGS:    5 09:20:01        2.702060        0.3058
BFGS:    6 09:20:01        2.693236        0.1973
BFGS:    7 09:20:01        2.688983        0.1322
BFGS:    8 09:20:01        2.686799        0.1053
BFGS:    9 09:20:01        2.685342        0.1038
BFGS:   10 09:20:01        2.683570        0.0768
BFGS:   11 09:20:01        2.682427        0.0542
BFGS:   12 09:20:01        2.682012        0.0449
      Step     Time          Energy         fmax
BFGS:    0 09:20:01        2.801222        0.8193
BFGS:    1 09:20:01        2.787870        0.7729
BFGS:    2 09:20:01        2.724240        0.3932
BFGS:    3 09:20:01        2.717507        0.2641
BFGS:    4 09:20:01        2.710423        0.2664
BFGS:    5 09:20:01        2.699524        0.1858
BFGS:    6 09:20:01        2.696739        0.1742
BFGS:    7 09:20:01        2.694793        0.1747
BFGS:    8 09:20:01        2.692594        0.1384
BFGS:    9 09:20:01        2.690698        0.0851
      Step     Time          Energy         fmax
BFGS:    0 09:20:01        2.824686        1.1340
BFGS:    1 09:20:01        2.787071        0.8145
BFGS:    2 09:20:02        2.746357        0.1883
BFGS:    3 09:20:02        2.743757        0.1586
BFGS:    4 09:20:02        2.740252        0.1749
BFGS:    5 09:20:02        2.737251        0.1537
BFGS:    6 09:20:02        2.735611        0.1243
BFGS:    7 09:20:02        2.734940        0.0905
      Step     Time          Energy         fmax
BFGS:    0 09:20:03        2.824686        1.1340
BFGS:    1 09:20:03        2.787071        0.8145
BFGS:    2 09:20:03        2.746357        0.1883
BFGS:    3 09:20:03        2.743757        0.1586
BFGS:    4 09:20:03        2.740252        0.1749
BFGS:    5 09:20:03        2.737251        0.1537
BFGS:    6 09:20:03        2.735611        0.1243
BFGS:    7 09:20:03        2.734940        0.0905
      Step     Time          Energy         fmax
BFGS:    0 09:20:03        2.734940        0.0905
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_COCu111_20
Global seed for "test/neb/test_COCu111_2.py:test_COCu111_2" was: 6907
neb/test_autoneb.py::test_autoneb SKIPPED (could not import 'asap3':...)
neb/test_dynamic_neb.py::test_dynamic_neb       Step     Time          Energy         fmax
BFGS:    0 09:20:03        5.430131        8.2264
BFGS:    1 09:20:03        4.129061        3.4994
BFGS:    2 09:20:03        3.793917        1.3014
BFGS:    3 09:20:03        3.728890        0.4526
BFGS:    4 09:20:03        3.705676        0.4306
BFGS:    5 09:20:03        3.685268        0.4469
BFGS:    6 09:20:03        3.668557        0.3442
BFGS:    7 09:20:03        3.656050        0.2174
BFGS:    8 09:20:03        3.649260        0.1972
BFGS:    9 09:20:03        3.644477        0.2487
BFGS:   10 09:20:03        3.640056        0.2011
BFGS:   11 09:20:03        3.637888        0.1140
BFGS:   12 09:20:03        3.636490        0.1069
BFGS:   13 09:20:03        3.635123        0.1046
BFGS:   14 09:20:03        3.634156        0.0694
BFGS:   15 09:20:03        3.633755        0.0454
BFGS:   16 09:20:03        3.633621        0.0403
BFGS:   17 09:20:03        3.633527        0.0274
      Step     Time          Energy         fmax
BFGS:    0 09:20:04        3.647561        0.3329
BFGS:    1 09:20:04        3.644896        0.2321
BFGS:    2 09:20:04        3.642212        0.0904
BFGS:    3 09:20:04        3.641914        0.0925
BFGS:    4 09:20:04        3.640788        0.1085
BFGS:    5 09:20:04        3.640091        0.0977
BFGS:    6 09:20:04        3.639418        0.0694
BFGS:    7 09:20:04        3.638811        0.0750
BFGS:    8 09:20:04        3.638061        0.0841
BFGS:    9 09:20:04        3.637388        0.0780
BFGS:   10 09:20:04        3.636867        0.0614
BFGS:   11 09:20:04        3.636434        0.0582
BFGS:   12 09:20:04        3.635914        0.0766
BFGS:   13 09:20:04        3.635385        0.0721
BFGS:   14 09:20:04        3.634989        0.0493
BFGS:   15 09:20:04        3.634735        0.0395
BFGS:   16 09:20:04        3.634564        0.0303
BFGS:   17 09:20:04        3.634413        0.0376
BFGS:   18 09:20:04        3.634225        0.0397
BFGS:   19 09:20:04        3.634071        0.0267
      Step     Time          Energy         fmax
BFGS:    0 09:20:04        6.026625       16.0986
BFGS:    1 09:20:04        3.963569        2.5836
BFGS:    2 09:20:04        3.877509        1.3398
BFGS:    3 09:20:04        3.836613        0.6928
BFGS:    4 09:20:05        3.826481        0.7014
BFGS:    5 09:20:05        3.812764        0.4029
BFGS:    6 09:20:05        3.805637        0.2207
BFGS:    7 09:20:05        3.800736        0.2046
BFGS:    8 09:20:05        3.796921        0.2542
BFGS:    9 09:20:05        3.793902        0.1883
BFGS:   10 09:20:05        3.792502        0.0979
BFGS:   11 09:20:05        3.791881        0.0765
BFGS:   12 09:20:06        3.791244        0.1066
BFGS:   13 09:20:06        3.790531        0.0864
BFGS:   14 09:20:06        3.790102        0.0818
BFGS:   15 09:20:06        3.789948        0.0419
BFGS:   16 09:20:06        3.789819        0.0457
BFGS:   17 09:20:06        3.789656        0.0541
BFGS:   18 09:20:06        3.789524        0.0680
BFGS:   19 09:20:07        3.789472        0.0526
BFGS:   20 09:20:07        3.789448        0.0442
BFGS:   21 09:20:07        3.789392        0.0438
BFGS:   22 09:20:07        3.789350        0.0557
BFGS:   23 09:20:07        3.789391        0.0494
BFGS:   24 09:20:07        3.789458        0.0380
BFGS:   25 09:20:07        3.789474        0.0304
BFGS:   26 09:20:07        3.789443        0.0498
BFGS:   27 09:20:08        3.789425        0.0683
BFGS:   28 09:20:08        3.789513        0.0642
BFGS:   29 09:20:08        3.789673        0.0467
BFGS:   30 09:20:08        3.789751        0.0305
BFGS:   31 09:20:08        3.789744        0.0379
BFGS:   32 09:20:08        3.789717        0.0501
BFGS:   33 09:20:08        3.789714        0.0592
BFGS:   34 09:20:09        3.789718        0.0515
BFGS:   35 09:20:09        3.789664        0.0366
BFGS:   36 09:20:09        3.789569        0.0338
BFGS:   37 09:20:09        3.789475        0.0508
BFGS:   38 09:20:09        3.789398        0.0585
BFGS:   39 09:20:09        3.789324        0.0396
BFGS:   40 09:20:09        3.789250        0.0263
      Step     Time          Energy         fmax
BFGS:    0 09:20:09        6.026625       16.0986
BFGS:    1 09:20:10        3.963569        2.5836
BFGS:    2 09:20:10        3.877509        1.3398
BFGS:    3 09:20:10        3.836613        0.6928
BFGS:    4 09:20:10        3.826481        0.7014
BFGS:    5 09:20:10        3.812764        0.4029
BFGS:    6 09:20:10        3.805637        0.2207
BFGS:    7 09:20:11        3.800736        0.2046
BFGS:    8 09:20:11        3.796921        0.2542
BFGS:    9 09:20:11        3.793902        0.1883
BFGS:   10 09:20:11        3.792502        0.0979
BFGS:   11 09:20:11        3.791881        0.0765
BFGS:   12 09:20:12        3.791244        0.1066
BFGS:   13 09:20:12        3.790531        0.0864
BFGS:   14 09:20:12        3.790102        0.0818
BFGS:   15 09:20:12        3.789937        0.0429
BFGS:   16 09:20:12        3.789781        0.0364
BFGS:   17 09:20:12        3.789680        0.0219
      Step     Time          Energy         fmax
BFGS:    0 09:20:12        6.026625       16.0986
BFGS:    1 09:20:12        3.963569        2.5836
BFGS:    2 09:20:13        3.877509        1.3398
BFGS:    3 09:20:13        3.836613        0.6928
BFGS:    4 09:20:13        3.826527        0.6896
BFGS:    5 09:20:13        3.811958        0.3728
BFGS:    6 09:20:13        3.805668        0.2232
BFGS:    7 09:20:13        3.801007        0.1964
BFGS:    8 09:20:13        3.795769        0.2534
BFGS:    9 09:20:14        3.793856        0.1849
BFGS:   10 09:20:14        3.792474        0.0677
BFGS:   11 09:20:14        3.791858        0.0565
BFGS:   12 09:20:14        3.790997        0.1062
BFGS:   13 09:20:14        3.790519        0.0901
BFGS:   14 09:20:14        3.790091        0.0404
BFGS:   15 09:20:14        3.789901        0.0308
BFGS:   16 09:20:14        3.789734        0.0436
BFGS:   17 09:20:14        3.789605        0.0334
BFGS:   18 09:20:14        3.789505        0.0198
# Force calls with default NEB: 287
# Force calls with dynamic NEB: 115
# Force calls with dynamic and scaled NEB: 62
PASSEDGlobal seed for "test/neb/test_dynamic_neb.py:test_dynamic_neb" was: 10057
neb/test_idpp.py::test_idpp 1.764885904058673 0.8824429520293364 1.743303902223947
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_idpp0
Global seed for "test/neb/test_idpp.py:test_idpp" was: 2842
neb/test_interpolate_images.py::test_interpolate_images_default PASSEDGlobal seed for "test/neb/test_interpolate_images.py:test_interpolate_images_default" was: 4898
neb/test_interpolate_images.py::test_interpolate_images_fixed PASSEDGlobal seed for "test/neb/test_interpolate_images.py:test_interpolate_images_fixed" was: 4801
neb/test_interpolate_images.py::test_interpolate_images_scaled_coord PASSEDGlobal seed for "test/neb/test_interpolate_images.py:test_interpolate_images_scaled_coord" was: 6368
neb/test_interpolate_images.py::test_interpolate_images_cell PASSEDGlobal seed for "test/neb/test_interpolate_images.py:test_interpolate_images_cell" was: 1458
neb/test_interpolate_images.py::test_interpolate_images_cell_default_interpolate_cell_scaled_coord PASSEDGlobal seed for "test/neb/test_interpolate_images.py:test_interpolate_images_cell_default_interpolate_cell_scaled_coord" was: 143
neb/test_neb_tr.py::test_neb_tr       Step     Time          Energy         fmax
*Force-consistent energies used in optimization.
FIRE:    0 09:20:15       -4.354267*       4.4717
FIRE:    1 09:20:15       -4.355388*       4.4392
FIRE:    2 09:20:15       -4.357597*       4.3748
FIRE:    3 09:20:15       -4.360834*       4.2796
FIRE:    4 09:20:15       -4.365011*       4.1555
FIRE:    5 09:20:15       -4.370014*       4.0046
FIRE:    6 09:20:15       -4.375714*       3.8295
FIRE:    7 09:20:15       -4.381964*       3.6332
FIRE:    8 09:20:15       -4.389333*       3.3952
FIRE:    9 09:20:15       -4.397784*       3.1120
FIRE:   10 09:20:15       -4.407167*       2.7814
FIRE:   11 09:20:15       -4.417186*       2.4038
FIRE:   12 09:20:15       -4.427364*       1.9824
FIRE:   13 09:20:15       -4.437038*       1.5246
FIRE:   14 09:20:15       -4.445371*       1.0414
FIRE:   15 09:20:15       -4.451424*       0.5490
FIRE:   16 09:20:15       -4.454282*       0.2360
FIRE:   17 09:20:15       -4.453395*       0.3782
FIRE:   18 09:20:15       -4.453407*       0.3763
FIRE:   19 09:20:15       -4.453432*       0.3724
FIRE:   20 09:20:15       -4.453468*       0.3666
      Step     Time          Energy         fmax
*Force-consistent energies used in optimization.
FIRE:    0 09:20:15       -4.453468*       0.3762
FIRE:    1 09:20:15       -4.453474*       0.3751
FIRE:    2 09:20:15       -4.453487*       0.3729
FIRE:    3 09:20:15       -4.453505*       0.3696
FIRE:    4 09:20:15       -4.453530*       0.3652
FIRE:    5 09:20:15       -4.453560*       0.3598
FIRE:    6 09:20:15       -4.453595*       0.3533
FIRE:    7 09:20:15       -4.453635*       0.3457
FIRE:    8 09:20:15       -4.453684*       0.3362
FIRE:    9 09:20:15       -4.453743*       0.3242
FIRE:   10 09:20:15       -4.453811*       0.3094
FIRE:   11 09:20:15       -4.453890*       0.2911
FIRE:   12 09:20:15       -4.453977*       0.2688
FIRE:   13 09:20:15       -4.454070*       0.2420
FIRE:   14 09:20:15       -4.454161*       0.2102
FIRE:   15 09:20:15       -4.454241*       0.1735
FIRE:   16 09:20:15       -4.454296*       0.1338
FIRE:   17 09:20:15       -4.454305*       0.0983
FIRE:   18 09:20:15       -4.454248*       0.0878
FIRE:   19 09:20:15       -4.454115*       0.1147
FIRE:   20 09:20:15       -4.453918*       0.1568
FIRE:   21 09:20:15       -4.453919*       0.1557
FIRE:   22 09:20:15       -4.453919*       0.1535
FIRE:   23 09:20:15       -4.453919*       0.1503
FIRE:   24 09:20:15       -4.453919*       0.1461
FIRE:   25 09:20:15       -4.453919*       0.1411
FIRE:   26 09:20:15       -4.453917*       0.1353
FIRE:   27 09:20:15       -4.453913*       0.1290
FIRE:   28 09:20:15       -4.453907*       0.1215
FIRE:   29 09:20:15       -4.453895*       0.1131
FIRE:   30 09:20:15       -4.453877*       0.1040
FIRE:   31 09:20:15       -4.453849*       0.0953
FIRE:   32 09:20:15       -4.453806*       0.0881
FIRE:   33 09:20:15       -4.453746*       0.0841
FIRE:   34 09:20:15       -4.453665*       0.0844
FIRE:   35 09:20:15       -4.453562*       0.0882
FIRE:   36 09:20:15       -4.453437*       0.0930
FIRE:   37 09:20:15       -4.453293*       0.0957
FIRE:   38 09:20:15       -4.453130*       0.0941
FIRE:   39 09:20:15       -4.452944*       0.0874
FIRE:   40 09:20:15       -4.452727*       0.0781
FIRE:   41 09:20:15       -4.452462*       0.0737
FIRE:   42 09:20:15       -4.452143*       0.0784
FIRE:   43 09:20:15       -4.451776*       0.0833
FIRE:   44 09:20:15       -4.451375*       0.0769
FIRE:   45 09:20:15       -4.450934*       0.0617
FIRE:   46 09:20:15       -4.450430*       0.0610
FIRE:   47 09:20:15       -4.449891*       0.0632
FIRE:   48 09:20:15       -4.449356*       0.0440
FIRE:   49 09:20:15       -4.448817*       0.0486
FIRE:   50 09:20:15       -4.448348*       0.0334
FIRE:   51 09:20:15       -4.447969*       0.0452
FIRE:   52 09:20:15       -4.447776*       0.0434
FIRE:   53 09:20:15       -4.447768*       0.0510
FIRE:   54 09:20:15       -4.447961*       0.0643
FIRE:   55 09:20:15       -4.448264*       0.0946
FIRE:   56 09:20:15       -4.448656*       0.1138
FIRE:   57 09:20:15       -4.449066*       0.1702
FIRE:   58 09:20:15       -4.449501*       0.2279
FIRE:   59 09:20:15       -4.449947*       0.3103
FIRE:   60 09:20:15       -4.450484*       0.4067
FIRE:   61 09:20:15       -4.451218*       0.5295
FIRE:   62 09:20:15       -4.452282*       0.6363
FIRE:   63 09:20:15       -4.453621*       0.6817
FIRE:   64 09:20:15       -4.455351*       0.6682
FIRE:   65 09:20:15       -4.457699*       0.5880
FIRE:   66 09:20:15       -4.461184*       0.5338
FIRE:   67 09:20:15       -4.467103*       0.7397
FIRE:   68 09:20:15       -4.467843*       0.7057
FIRE:   69 09:20:15       -4.469401*       0.7103
FIRE:   70 09:20:15       -4.471949*       0.6510
FIRE:   71 09:20:15       -4.475712*       0.4644
FIRE:   72 09:20:15       -4.481095*       0.3968
FIRE:   73 09:20:15       -4.488926*       0.4483
FIRE:   74 09:20:15       -4.499873*       0.5162
FIRE:   75 09:20:15       -4.516519*       0.6128
FIRE:   76 09:20:15       -4.542668*       0.7461
FIRE:   77 09:20:15       -4.585266*       0.9346
FIRE:   78 09:20:15       -4.657704*       1.2048
FIRE:   79 09:20:15       -4.765121*       1.4806
FIRE:   80 09:20:15       -4.888079*       1.5184
FIRE:   81 09:20:15       -4.999388*       0.9615
FIRE:   82 09:20:15       -5.027194*       1.4923
FIRE:   83 09:20:15       -5.036768*       0.7648
FIRE:   84 09:20:15       -5.039908*       0.2287
FIRE:   85 09:20:15       -5.040010*       0.2110
FIRE:   86 09:20:15       -5.040176*       0.1772
FIRE:   87 09:20:15       -5.040345*       0.1300
FIRE:   88 09:20:15       -5.040456*       0.0742
FIRE:   89 09:20:15       -5.040480*       0.0726
FIRE:   90 09:20:15       -5.040444*       0.1183
FIRE:   91 09:20:15       -5.040449*       0.1153
FIRE:   92 09:20:15       -5.040458*       0.1096
FIRE:   93 09:20:15       -5.040470*       0.1012
FIRE:   94 09:20:15       -5.040484*       0.0904
FIRE:   95 09:20:15       -5.040498*       0.0774
FIRE:   96 09:20:15       -5.040512*       0.0628
FIRE:   97 09:20:15       -5.040524*       0.0468
FIRE:   98 09:20:15       -5.040533*       0.0284
FIRE:   99 09:20:15       -5.040537*       0.0177
FIRE:  100 09:20:15       -5.040537*       0.0253
FIRE:  101 09:20:15       -5.040532*       0.0303
FIRE:  102 09:20:15       -5.040533*       0.0300
FIRE:  103 09:20:15       -5.040533*       0.0293
FIRE:  104 09:20:15       -5.040534*       0.0283
FIRE:  105 09:20:15       -5.040535*       0.0269
FIRE:  106 09:20:15       -5.040536*       0.0253
FIRE:  107 09:20:15       -5.040538*       0.0233
FIRE:  108 09:20:15       -5.040539*       0.0212
FIRE:  109 09:20:15       -5.040540*       0.0185
FIRE:  110 09:20:16       -5.040542*       0.0153
FIRE:  111 09:20:16       -5.040543*       0.0115
FIRE:  112 09:20:16       -5.040543*       0.0071
      Step     Time          Energy         fmax
*Force-consistent energies used in optimization.
FIRE:    0 09:20:16       -2.902086*       6.5630
FIRE:    1 09:20:16       -2.904522*       6.5212
FIRE:    2 09:20:16       -2.909332*       6.4383
FIRE:    3 09:20:16       -2.916398*       6.3161
FIRE:    4 09:20:16       -2.925544*       6.1567
FIRE:    5 09:20:16       -2.936549*       5.9632
FIRE:    6 09:20:16       -2.949155*       5.7390
FIRE:    7 09:20:16       -2.963074*       5.4880
FIRE:    8 09:20:16       -2.979630*       5.1843
FIRE:    9 09:20:16       -2.998842*       4.8237
FIRE:   10 09:20:16       -3.020524*       4.4040
FIRE:   11 09:20:16       -3.044214*       3.9264
FIRE:   12 09:20:16       -3.069125*       3.3959
FIRE:   13 09:20:16       -3.094144*       2.8226
FIRE:   14 09:20:16       -3.117911*       2.3064
FIRE:   15 09:20:16       -3.139037*       1.7646
FIRE:   16 09:20:16       -3.156422*       1.7305
FIRE:   17 09:20:16       -3.169558*       1.6428
FIRE:   18 09:20:16       -3.178459*       1.3985
FIRE:   19 09:20:16       -3.183147*       1.3353
FIRE:   20 09:20:16       -3.183268*       1.1006
      Step     Time          Energy         fmax
*Force-consistent energies used in optimization.
FIRE:    0 09:20:16       -3.183268*       1.1006
FIRE:    1 09:20:16       -3.183322*       1.0963
FIRE:    2 09:20:16       -3.183427*       1.0878
FIRE:    3 09:20:16       -3.183584*       1.0752
FIRE:    4 09:20:16       -3.183789*       1.0583
FIRE:    5 09:20:16       -3.184040*       1.0375
FIRE:    6 09:20:16       -3.184333*       1.0127
FIRE:    7 09:20:16       -3.184663*       0.9842
FIRE:    8 09:20:16       -3.185066*       0.9485
FIRE:    9 09:20:16       -3.185550*       0.9041
FIRE:   10 09:20:16       -3.186117*       0.8497
FIRE:   11 09:20:16       -3.186768*       0.7836
FIRE:   12 09:20:16       -3.187493*       0.7043
FIRE:   13 09:20:16       -3.188269*       0.6104
FIRE:   14 09:20:16       -3.189061*       0.5009
FIRE:   15 09:20:16       -3.189813*       0.4106
FIRE:   16 09:20:16       -3.190454*       0.3917
FIRE:   17 09:20:16       -3.190905*       0.3765
FIRE:   18 09:20:16       -3.191104*       0.3673
FIRE:   19 09:20:16       -3.191041*       0.3643
FIRE:   20 09:20:16       -3.190789*       0.3648
FIRE:   21 09:20:16       -3.190491*       0.4252
FIRE:   22 09:20:16       -3.190330*       0.4651
FIRE:   23 09:20:16       -3.190450*       0.4405
FIRE:   24 09:20:16       -3.190858*       0.3637
FIRE:   25 09:20:16       -3.191332*       0.3270
FIRE:   26 09:20:16       -3.191479*       0.3176
FIRE:   27 09:20:16       -3.191171*       0.3414
FIRE:   28 09:20:16       -3.190974*       0.4504
FIRE:   29 09:20:16       -3.191546*       0.3905
FIRE:   30 09:20:16       -3.192435*       0.2967
FIRE:   31 09:20:16       -3.192437*       0.2960
FIRE:   32 09:20:16       -3.192075*       0.3720
FIRE:   33 09:20:16       -3.192774*       0.3447
FIRE:   34 09:20:16       -3.193511*       0.2992
FIRE:   35 09:20:16       -3.193803*       0.3810
FIRE:   36 09:20:16       -3.195075*       0.3954
FIRE:   37 09:20:16       -3.195463*       0.3600
FIRE:   38 09:20:16       -3.197186*       0.2949
FIRE:   39 09:20:16       -3.198164*       0.3361
FIRE:   40 09:20:16       -3.199654*       0.3829
FIRE:   41 09:20:16       -3.201242*       0.4164
FIRE:   42 09:20:16       -3.203126*       0.3002
FIRE:   43 09:20:16       -3.205423*       0.3749
FIRE:   44 09:20:16       -3.207593*       0.3055
FIRE:   45 09:20:16       -3.210627*       0.3021
FIRE:   46 09:20:16       -3.213835*       0.3047
FIRE:   47 09:20:16       -3.217624*       0.2926
FIRE:   48 09:20:16       -3.222006*       0.2739
FIRE:   49 09:20:16       -3.227077*       0.2841
FIRE:   50 09:20:16       -3.233335*       0.2913
FIRE:   51 09:20:16       -3.240470*       0.3432
FIRE:   52 09:20:16       -3.248853*       0.3875
FIRE:   53 09:20:16       -3.258578*       0.3927
FIRE:   54 09:20:16       -3.269559*       0.3970
FIRE:   55 09:20:16       -3.282072*       0.4171
FIRE:   56 09:20:16       -3.296199*       0.4470
FIRE:   57 09:20:16       -3.312033*       0.4835
FIRE:   58 09:20:16       -3.329891*       0.5030
FIRE:   59 09:20:16       -3.350085*       0.4989
FIRE:   60 09:20:16       -3.372999*       0.4867
FIRE:   61 09:20:16       -3.399369*       0.5490
FIRE:   62 09:20:16       -3.430178*       0.5909
FIRE:   63 09:20:16       -3.466364*       0.6219
FIRE:   64 09:20:16       -3.508764*       0.7510
FIRE:   65 09:20:16       -3.558231*       0.8221
FIRE:   66 09:20:16       -3.615787*       0.9568
FIRE:   67 09:20:16       -3.682883*       1.1128
FIRE:   68 09:20:16       -3.761663*       1.2880
FIRE:   69 09:20:16       -3.854868*       1.4826
FIRE:   70 09:20:16       -3.965169*       1.6957
FIRE:   71 09:20:16       -4.094316*       1.9212
FIRE:   72 09:20:16       -4.242443*       2.1528
FIRE:   73 09:20:16       -4.407403*       2.3346
FIRE:   74 09:20:16       -4.583493*       2.3843
FIRE:   75 09:20:16       -4.758832*       2.4269
FIRE:   76 09:20:16       -4.910907*       2.2215
FIRE:   77 09:20:16       -5.001787*       1.7268
FIRE:   78 09:20:16       -4.979420*       3.3861
FIRE:   79 09:20:16       -5.014991*       1.6602
FIRE:   80 09:20:16       -5.030152*       0.8555
FIRE:   81 09:20:16       -5.024999*       1.2613
FIRE:   82 09:20:16       -5.027590*       1.1553
FIRE:   83 09:20:16       -5.031919*       0.9453
FIRE:   84 09:20:16       -5.036495*       0.6386
FIRE:   85 09:20:16       -5.039626*       0.2634
FIRE:   86 09:20:16       -5.040078*       0.2369
FIRE:   87 09:20:16       -5.040098*       0.2315
FIRE:   88 09:20:16       -5.040137*       0.2210
FIRE:   89 09:20:16       -5.040190*       0.2056
FIRE:   90 09:20:16       -5.040252*       0.1858
FIRE:   91 09:20:16       -5.040316*       0.1624
FIRE:   92 09:20:16       -5.040378*       0.1362
FIRE:   93 09:20:16       -5.040430*       0.1093
FIRE:   94 09:20:16       -5.040474*       0.1037
FIRE:   95 09:20:16       -5.040500*       0.0985
FIRE:   96 09:20:16       -5.040507*       0.0942
FIRE:   97 09:20:16       -5.040497*       0.0915
FIRE:   98 09:20:16       -5.040483*       0.1006
FIRE:   99 09:20:16       -5.040478*       0.0977
FIRE:  100 09:20:16       -5.040490*       0.0914
FIRE:  101 09:20:16       -5.040512*       0.0927
FIRE:  102 09:20:16       -5.040522*       0.0944
FIRE:  103 09:20:16       -5.040505*       0.0966
FIRE:  104 09:20:16       -5.040475*       0.1011
FIRE:  105 09:20:16       -5.040474*       0.1053
FIRE:  106 09:20:16       -5.040514*       0.0918
FIRE:  107 09:20:16       -5.040542*       0.0855
FIRE:  108 09:20:16       -5.040519*       0.0836
FIRE:  109 09:20:16       -5.040516*       0.0848
FIRE:  110 09:20:16       -5.040523*       0.0843
FIRE:  111 09:20:16       -5.040504*       0.0835
FIRE:  112 09:20:16       -5.040545*       0.0781
FIRE:  113 09:20:16       -5.040511*       0.0793
FIRE:  114 09:20:16       -5.040531*       0.0838
FIRE:  115 09:20:16       -5.040512*       0.0740
FIRE:  116 09:20:16       -5.040525*       0.0586
FIRE:  117 09:20:16       -5.040539*       0.0348
FIRE:  118 09:20:16       -5.040542*       0.0184
FIRE:  119 09:20:16       -5.040540*       0.0342
FIRE:  120 09:20:16       -5.040542*       0.0304
FIRE:  121 09:20:16       -5.040544*       0.0232
FIRE:  122 09:20:16       -5.040544*       0.0218
FIRE:  123 09:20:16       -5.040544*       0.0208
FIRE:  124 09:20:16       -5.040544*       0.0203
FIRE:  125 09:20:16       -5.040545*       0.0202
FIRE:  126 09:20:16       -5.040545*       0.0204
FIRE:  127 09:20:16       -5.040545*       0.0205
FIRE:  128 09:20:16       -5.040545*       0.0209
FIRE:  129 09:20:16       -5.040545*       0.0217
FIRE:  130 09:20:16       -5.040545*       0.0230
FIRE:  131 09:20:16       -5.040545*       0.0244
FIRE:  132 09:20:16       -5.040545*       0.0248
FIRE:  133 09:20:16       -5.040546*       0.0214
FIRE:  134 09:20:16       -5.040546*       0.0423
FIRE:  135 09:20:16       -5.040544*       0.0262
FIRE:  136 09:20:16       -5.040539*       0.0369
FIRE:  137 09:20:16       -5.040535*       0.0392
FIRE:  138 09:20:16       -5.040527*       0.0427
FIRE:  139 09:20:16       -5.040520*       0.0546
FIRE:  140 09:20:16       -5.040514*       0.0760
FIRE:  141 09:20:16       -5.040513*       0.0852
FIRE:  142 09:20:16       -5.040523*       0.0754
FIRE:  143 09:20:16       -5.040544*       0.0646
FIRE:  144 09:20:16       -5.040548*       0.0813
FIRE:  145 09:20:16       -5.040551*       0.0785
FIRE:  146 09:20:16       -5.040551*       0.0723
FIRE:  147 09:20:16       -5.040552*       0.0694
FIRE:  148 09:20:16       -5.040552*       0.0709
FIRE:  149 09:20:16       -5.040552*       0.0669
FIRE:  150 09:20:16       -5.040552*       0.0698
FIRE:  151 09:20:16       -5.040553*       0.0703
FIRE:  152 09:20:16       -5.040554*       0.0553
FIRE:  153 09:20:16       -5.040554*       0.0522
FIRE:  154 09:20:16       -5.040554*       0.0535
FIRE:  155 09:20:16       -5.040555*       0.0602
FIRE:  156 09:20:16       -5.040556*       0.0546
FIRE:  157 09:20:17       -5.040557*       0.0548
FIRE:  158 09:20:17       -5.040559*       0.0469
FIRE:  159 09:20:17       -5.040560*       0.0423
FIRE:  160 09:20:17       -5.040561*       0.0401
FIRE:  161 09:20:17       -5.040562*       0.0611
FIRE:  162 09:20:17       -5.040563*       0.0678
FIRE:  163 09:20:17       -5.040565*       0.0686
FIRE:  164 09:20:17       -5.040567*       0.0455
FIRE:  165 09:20:17       -5.040568*       0.0403
FIRE:  166 09:20:17       -5.040567*       0.0453
FIRE:  167 09:20:17       -5.040567*       0.0511
FIRE:  168 09:20:17       -5.040570*       0.0582
FIRE:  169 09:20:17       -5.040574*       0.0398
FIRE:  170 09:20:17       -5.040574*       0.0359
FIRE:  171 09:20:17       -5.040570*       0.0379
FIRE:  172 09:20:17       -5.040569*       0.0383
FIRE:  173 09:20:17       -5.040573*       0.0497
FIRE:  174 09:20:17       -5.040577*       0.0478
FIRE:  175 09:20:17       -5.040572*       0.0353
FIRE:  176 09:20:17       -5.040563*       0.0402
FIRE:  177 09:20:17       -5.040564*       0.0377
FIRE:  178 09:20:17       -5.040570*       0.0363
FIRE:  179 09:20:17       -5.040566*       0.0331
FIRE:  180 09:20:17       -5.040555*       0.0390
FIRE:  181 09:20:17       -5.040557*       0.0324
FIRE:  182 09:20:17       -5.040559*       0.0320
FIRE:  183 09:20:17       -5.040552*       0.0331
FIRE:  184 09:20:17       -5.040548*       0.0329
FIRE:  185 09:20:17       -5.040550*       0.0341
FIRE:  186 09:20:17       -5.040546*       0.0339
FIRE:  187 09:20:17       -5.040543*       0.0325
FIRE:  188 09:20:17       -5.040545*       0.0333
FIRE:  189 09:20:17       -5.040541*       0.0399
FIRE:  190 09:20:17       -5.040544*       0.0479
FIRE:  191 09:20:17       -5.040542*       0.0556
FIRE:  192 09:20:17       -5.040543*       0.0636
FIRE:  193 09:20:17       -5.040544*       0.0727
FIRE:  194 09:20:17       -5.040543*       0.0806
FIRE:  195 09:20:17       -5.040547*       0.0883
FIRE:  196 09:20:17       -5.040545*       0.0931
FIRE:  197 09:20:17       -5.040548*       0.0886
FIRE:  198 09:20:17       -5.040548*       0.0312
FIRE:  199 09:20:17       -5.040544*       0.0340
FIRE:  200 09:20:17       -5.040552*       0.0400
FIRE:  201 09:20:17       -5.040551*       0.0473
FIRE:  202 09:20:17       -5.040551*       0.0279
FIRE:  203 09:20:17       -5.040555*       0.0425
FIRE:  204 09:20:17       -5.040554*       0.0319
FIRE:  205 09:20:17       -5.040554*       0.0210
FIRE:  206 09:20:17       -5.040556*       0.0319
FIRE:  207 09:20:17       -5.040555*       0.0350
FIRE:  208 09:20:17       -5.040554*       0.0193
FIRE:  209 09:20:17       -5.040555*       0.0285
FIRE:  210 09:20:17       -5.040554*       0.0253
FIRE:  211 09:20:17       -5.040552*       0.0303
FIRE:  212 09:20:17       -5.040552*       0.0217
FIRE:  213 09:20:17       -5.040552*       0.0269
FIRE:  214 09:20:17       -5.040549*       0.0401
FIRE:  215 09:20:17       -5.040549*       0.0175
FIRE:  216 09:20:17       -5.040549*       0.0293
FIRE:  217 09:20:17       -5.040547*       0.0412
FIRE:  218 09:20:17       -5.040547*       0.0207
FIRE:  219 09:20:17       -5.040546*       0.0387
FIRE:  220 09:20:17       -5.040545*       0.0447
FIRE:  221 09:20:17       -5.040545*       0.0221
FIRE:  222 09:20:17       -5.040544*       0.0497
FIRE:  223 09:20:17       -5.040544*       0.0337
FIRE:  224 09:20:17       -5.040544*       0.0317
FIRE:  225 09:20:17       -5.040544*       0.0498
FIRE:  226 09:20:17       -5.040544*       0.0221
FIRE:  227 09:20:17       -5.040544*       0.0403
FIRE:  228 09:20:17       -5.040545*       0.0371
FIRE:  229 09:20:17       -5.040545*       0.0282
FIRE:  230 09:20:17       -5.040545*       0.0352
FIRE:  231 09:20:17       -5.040546*       0.0283
FIRE:  232 09:20:17       -5.040546*       0.0319
FIRE:  233 09:20:17       -5.040546*       0.0371
FIRE:  234 09:20:17       -5.040547*       0.0207
FIRE:  235 09:20:17       -5.040547*       0.0387
FIRE:  236 09:20:17       -5.040547*       0.0245
FIRE:  237 09:20:17       -5.040547*       0.0079
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_neb_tr0
Global seed for "test/neb/test_neb_tr.py:test_neb_tr" was: 3004
neb/test_precon_neb.py::test_neb_methods[aseneb-BFGS-None-None] vac_index=28 i1=7 i2=30 distance=5.105310960166872
        Step     Time          Energy         fmax
ODE12r:    0 09:20:17     -204.146484        0.0657
ODE12r:    1 09:20:17     -204.146484        0.0657
ODE12r:    2 09:20:17     -204.147218        0.0200
ODE12r:    3 09:20:17     -204.147277        0.0053
ODE12r:    4 09:20:17     -204.147281        0.0016
ODE12r:    5 09:20:17     -204.147282        0.0004
        Step     Time          Energy         fmax
ODE12r:    0 09:20:17     -204.146484        0.0657
ODE12r:    1 09:20:17     -204.146484        0.0657
ODE12r:    2 09:20:17     -204.147218        0.0200
ODE12r:    3 09:20:17     -204.147277        0.0053
ODE12r:    4 09:20:17     -204.147281        0.0016
ODE12r:    5 09:20:17     -204.147282        0.0004
        Step     Time          Energy         fmax
ODE12r:    0 09:20:17     -195.709184       12.7329
ODE12r:    1 09:20:17     -195.709184       12.7329
ODE12r:    2 09:20:17     -198.080889        6.5627
ODE12r:    3 09:20:17     -198.453627        5.3158
ODE12r:    4 09:20:17     -198.823900        3.9099
ODE12r:    5 09:20:17     -199.079819        2.8384
ODE12r:    6 09:20:17     -199.272332        2.0003
ODE12r:    7 09:20:17     -199.419900        1.3778
ODE12r:    8 09:20:18     -199.534609        0.9772
ODE12r:    9 09:20:18     -199.620973        0.6955
ODE12r:   10 09:20:18     -199.679933        0.4299
ODE12r:   11 09:20:18     -199.712237        0.2619
ODE12r:   12 09:20:18     -199.730039        0.1792
ODE12r:   13 09:20:18     -199.737826        0.1048
ODE12r:   14 09:20:18     -199.740483        0.0380
ODE12r:   15 09:20:18     -199.740976        0.0208
ODE12r:   16 09:20:18     -199.740999        0.0080
REF: 4.406282298946053 2.842170943040401e-14
      Step     Time          Energy         fmax
BFGS:    0 09:20:18     -195.709184       12.7329
BFGS:    1 09:20:18     -198.828133        4.4201
BFGS:    2 09:20:18     -199.600037        1.5005
BFGS:    3 09:20:18     -199.696370        0.6554
BFGS:    4 09:20:18     -199.725011        0.2745
BFGS:    5 09:20:18     -199.736010        0.1643
BFGS:    6 09:20:18     -199.738884        0.1104
BFGS:    7 09:20:19     -199.740237        0.0916
BFGS:    8 09:20:19     -199.740569        0.0453
BFGS:    9 09:20:19     -199.740644        0.0327
BFGS:   10 09:20:19     -199.740724        0.0228
BFGS:   11 09:20:19     -199.740783        0.0161
BFGS:   12 09:20:19     -199.740807        0.0125
BFGS:   13 09:20:19     -199.740816        0.0063
aseneb,BFGS,None => Ef = 4.406, dE = 0.000
Ef error 0.00018359154663016852 dE error 0.0 position error at saddle 0.00515299800684188
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_neb_methods_aseneb_BFGS_N0
Global seed for "test/neb/test_precon_neb.py:test_neb_methods" was: 4198
neb/test_precon_neb.py::test_neb_methods[improvedtangent-BFGS-None-None]       Step     Time          Energy         fmax
BFGS:    0 09:20:19     -195.709184       12.7329
BFGS:    1 09:20:19     -198.828133        4.4201
BFGS:    2 09:20:19     -199.600037        1.5003
BFGS:    3 09:20:20     -199.696370        0.6554
BFGS:    4 09:20:20     -199.725012        0.2744
BFGS:    5 09:20:20     -199.736010        0.1644
BFGS:    6 09:20:20     -199.738884        0.1106
BFGS:    7 09:20:20     -199.740237        0.0918
BFGS:    8 09:20:20     -199.740568        0.0456
BFGS:    9 09:20:20     -199.740644        0.0329
BFGS:   10 09:20:20     -199.740724        0.0232
BFGS:   11 09:20:20     -199.740782        0.0164
BFGS:   12 09:20:20     -199.740806        0.0130
BFGS:   13 09:20:20     -199.740816        0.0067
improvedtangent,BFGS,None => Ef = 4.406, dE = 0.000
Ef error 0.0001837391673689126 dE error 0.0 position error at saddle 0.005152998006842768
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_neb_methods_improvedtange0
Global seed for "test/neb/test_precon_neb.py:test_neb_methods" was: 4198
neb/test_precon_neb.py::test_neb_methods[spline-NEBOptimizer-None-ODE]                    Step     Time         fmax
NEBOptimizer[ode]:    0 09:20:21      10.3982
NEBOptimizer[ode]:    1 09:20:21       4.8692
NEBOptimizer[ode]:    2 09:20:21       1.7777
NEBOptimizer[ode]:    3 09:20:21       0.9858
NEBOptimizer[ode]:    4 09:20:21       0.4420
NEBOptimizer[ode]:    5 09:20:21       0.2406
NEBOptimizer[ode]:    6 09:20:21       0.3530
NEBOptimizer[ode]:    7 09:20:21       0.2636
NEBOptimizer[ode]:    8 09:20:21       0.1014
NEBOptimizer[ode]:    9 09:20:21       0.0975
NEBOptimizer[ode]:   10 09:20:21       0.0749
NEBOptimizer[ode]:   11 09:20:22       0.0525
NEBOptimizer[ode]:   12 09:20:22       0.0458
NEBOptimizer[ode]:   13 09:20:22       0.0422
NEBOptimizer[ode]:   14 09:20:22       0.0366
NEBOptimizer[ode]:   15 09:20:22       0.0315
NEBOptimizer[ode]:   16 09:20:22       0.0277
NEBOptimizer[ode]:   17 09:20:22       0.0348
NEBOptimizer[ode]:   18 09:20:22       0.0221
NEBOptimizer[ode]:   19 09:20:22       0.0191
NEBOptimizer[ode]:   20 09:20:22       0.0178
NEBOptimizer[ode]:   21 09:20:23       0.0229
NEBOptimizer[ode]:   22 09:20:23       0.0438
NEBOptimizer[ode]:   23 09:20:23       0.0189
NEBOptimizer[ode]:   24 09:20:23       0.0126
NEBOptimizer[ode]:   25 09:20:23       0.0122
NEBOptimizer[ode]:   26 09:20:23       0.0107
NEBOptimizer[ode]:   27 09:20:23       0.0060
spline,NEBOptimizer,None => Ef = 4.406, dE = 0.000
Ef error 0.0001777939271505602 dE error 0.0 position error at saddle 0.005152998006966225
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_neb_methods_spline_NEBOpt0
Global seed for "test/neb/test_precon_neb.py:test_neb_methods" was: 4198
neb/test_precon_neb.py::test_neb_methods[string-NEBOptimizer-Exp-ODE]                    Step     Time         fmax
NEBOptimizer[ode]:    0 09:20:23      10.3982
NEBOptimizer[ode]:    1 09:20:24      10.0777
NEBOptimizer[ode]:    2 09:20:24       8.8736
NEBOptimizer[ode]:    3 09:20:24       5.0552
NEBOptimizer[ode]:    4 09:20:24       2.0730
NEBOptimizer[ode]:    5 09:20:24       1.2691
NEBOptimizer[ode]:    6 09:20:24       0.6186
NEBOptimizer[ode]:    7 09:20:24       0.2672
NEBOptimizer[ode]:    8 09:20:24       0.2840
NEBOptimizer[ode]:    9 09:20:24       0.3493
NEBOptimizer[ode]:   10 09:20:24       0.0547
NEBOptimizer[ode]:   11 09:20:24       0.0413
NEBOptimizer[ode]:   12 09:20:24       0.0228
NEBOptimizer[ode]:   13 09:20:25       0.0189
NEBOptimizer[ode]:   14 09:20:25       0.0163
NEBOptimizer[ode]:   15 09:20:25       0.0178
NEBOptimizer[ode]:   16 09:20:25       0.0130
NEBOptimizer[ode]:   17 09:20:25       0.0103
NEBOptimizer[ode]:   18 09:20:25       0.0079
string,NEBOptimizer,Exp => Ef = 4.406, dE = 0.000
Ef error 0.00015563846687882688 dE error 0.0 position error at saddle 0.006797822469682746
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_neb_methods_string_NEBOpt0
Global seed for "test/neb/test_precon_neb.py:test_neb_methods" was: 4198
neb/test_precon_neb.py::test_neb_optimizers[ODE]                    Step     Time         fmax
NEBOptimizer[ode]:    0 09:20:25      10.3982
NEBOptimizer[ode]:    1 09:20:25      10.0777
PASSEDGlobal seed for "test/neb/test_precon_neb.py:test_neb_optimizers" was: 11608
neb/test_precon_neb.py::test_neb_optimizers[static]                       Step     Time         fmax
NEBOptimizer[static]:    0 09:20:26      10.3982
NEBOptimizer[static]:    1 09:20:26      10.1870
PASSEDGlobal seed for "test/neb/test_precon_neb.py:test_neb_optimizers" was: 11608
neb/test_precon_neb.py::test_precon_initialisation PASSEDGlobal seed for "test/neb/test_precon_neb.py:test_precon_initialisation" was: 2168
neb/test_precon_neb.py::test_single_precon_initialisation PASSEDGlobal seed for "test/neb/test_precon_neb.py:test_single_precon_initialisation" was: 1587
neb/test_precon_neb.py::test_precon_assembly PASSEDGlobal seed for "test/neb/test_precon_neb.py:test_precon_assembly" was: 3544
neb/test_precon_neb.py::test_spline_fit PASSEDGlobal seed for "test/neb/test_precon_neb.py:test_spline_fit" was: 935
neb/test_precon_neb.py::test_integrate_forces PASSEDGlobal seed for "test/neb/test_precon_neb.py:test_integrate_forces" was: 2844
neb/test_shared_calculator_neb.py::test_get_neb_method PASSEDGlobal seed for "test/neb/test_shared_calculator_neb.py:test_get_neb_method" was: 8859
neb/test_shared_calculator_neb.py::TestNEB::test_deprecations PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_deprecations0
Global seed for "test/neb/test_shared_calculator_neb.py:test_deprecations" was: 414
neb/test_shared_calculator_neb.py::TestNEB::test_neb_default PASSEDGlobal seed for "test/neb/test_shared_calculator_neb.py:test_neb_default" was: 4743
neb/test_shared_calculator_neb.py::TestNEB::test_raising_parallel_errors PASSEDGlobal seed for "test/neb/test_shared_calculator_neb.py:test_raising_parallel_errors" was: 9648
neb/test_shared_calculator_neb.py::TestNEB::test_no_shared_calc PASSEDGlobal seed for "test/neb/test_shared_calculator_neb.py:test_no_shared_calc" was: 6174
neb/test_shared_calculator_neb.py::TestNEB::test_init_checks PASSEDGlobal seed for "test/neb/test_shared_calculator_neb.py:test_init_checks" was: 5212
neb/test_shared_calculator_neb.py::TestNEB::test_freeze_method PASSEDGlobal seed for "test/neb/test_shared_calculator_neb.py:test_freeze_method" was: 3341
neighbor/test_neighbor.py::test_supercell PASSEDGlobal seed for "test/neighbor/test_neighbor.py:test_supercell" was: 10789
neighbor/test_neighbor.py::test_H2 PASSEDGlobal seed for "test/neighbor/test_neighbor.py:test_H2" was: 7140
neighbor/test_neighbor.py::test_H2_shape_and_type PASSEDGlobal seed for "test/neighbor/test_neighbor.py:test_H2_shape_and_type" was: 671
neighbor/test_neighbor.py::test_fcc PASSEDGlobal seed for "test/neighbor/test_neighbor.py:test_fcc" was: 1335
neighbor/test_neighbor.py::test_empty_neighbor_list PASSEDGlobal seed for "test/neighbor/test_neighbor.py:test_empty_neighbor_list" was: 2655
neighbor/test_neighbor.py::test_hexagonal_cell_and_large_cutoff PASSEDGlobal seed for "test/neighbor/test_neighbor.py:test_hexagonal_cell_and_large_cutoff" was: 4429
neighbor/test_neighbor.py::test_small_cell_and_large_cutoff PASSEDGlobal seed for "test/neighbor/test_neighbor.py:test_small_cell_and_large_cutoff" was: 409
neighbor/test_neighbor_initialization.py::test_neighborlist_initialization PASSEDGlobal seed for "test/neighbor/test_neighbor_initialization.py:test_neighborlist_initialization" was: 11304
neighbor/test_neighbor_kernel.py::test_neighbor_kernel PASSEDGlobal seed for "test/neighbor/test_neighbor_kernel.py:test_neighbor_kernel" was: 4651
optimize/test_bad_restart.py::test_bad_restart PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_bad_restart0
Global seed for "test/optimize/test_bad_restart.py:test_bad_restart" was: 1366
optimize/test_fire.py::test_fire       Step     Time          Energy         fmax
*Force-consistent energies used in optimization.
FIRE:    0 09:20:30        0.671920*       3.2019
FIRE:    1 09:20:30      328.052953*     323.0617
FIRE:    2 09:20:30    13077.924774*   14740.9680
FIRE:    3 09:20:30      118.475084*     126.5557
FIRE:    4 09:20:30       62.470212*      41.7352
FIRE:    5 09:20:30       24.481000*      33.0816
FIRE:    6 09:20:30       18.230313*      19.2648
FIRE:    7 09:20:30       13.228687*       9.9677
FIRE:    8 09:20:30       10.470670*       7.9240
FIRE:    9 09:20:30        8.423874*       9.2704
FIRE:   10 09:20:30        6.303929*      10.3468
FIRE:   11 09:20:30        4.093511*       8.5055
FIRE:   12 09:20:30        2.505961*       5.1343
FIRE:   13 09:20:30        1.945802*       2.5269
FIRE:   14 09:20:30        1.908652*       2.4440
FIRE:   15 09:20:30        1.838147*       2.2863
FIRE:   16 09:20:30        1.741046*       2.2189
FIRE:   17 09:20:30        1.625676*       2.2305
FIRE:   18 09:20:30        1.500373*       2.2389
FIRE:   19 09:20:30        1.372189*       2.2394
FIRE:   20 09:20:30        1.246114*       2.2260
FIRE:   21 09:20:30        1.112549*       2.1878
FIRE:   22 09:20:30        0.973691*       2.1091
FIRE:   23 09:20:30        0.831012*       1.9706
FIRE:   24 09:20:30        0.686246*       1.7566
FIRE:   25 09:20:30        0.542881*       1.4674
FIRE:   26 09:20:30        0.406909*       1.1174
FIRE:   27 09:20:30        0.286134*       0.9682
FIRE:   28 09:20:30        0.187593*       0.8257
FIRE:   29 09:20:30        0.116834*       0.6051
FIRE:   30 09:20:30        0.078882*       0.3462
FIRE:   31 09:20:30        0.075379*       0.6113
FIRE:   32 09:20:30        0.073189*       0.5985
FIRE:   33 09:20:30        0.069003*       0.5732
FIRE:   34 09:20:30        0.063186*       0.5367
FIRE:   35 09:20:30        0.056237*       0.4903
FIRE:   36 09:20:30        0.048733*       0.4356
FIRE:   37 09:20:30        0.041278*       0.3743
FIRE:   38 09:20:30        0.034448*       0.3080
FIRE:   39 09:20:30        0.028238*       0.2307
FIRE:   40 09:20:30        0.023625*       0.1420
FIRE:   41 09:20:30        0.021750*       0.0423
FIRE:   42 09:20:30        0.023231*       0.0740
FIRE:   43 09:20:30        0.023190*       0.0733
FIRE:   44 09:20:30        0.023111*       0.0720
FIRE:   45 09:20:30        0.022995*       0.0699
FIRE:   46 09:20:30        0.022849*       0.0673
FIRE:   47 09:20:30        0.022677*       0.0640
FIRE:   48 09:20:30        0.022486*       0.0601
FIRE:   49 09:20:30        0.022283*       0.0557
FIRE:   50 09:20:30        0.022055*       0.0503
FIRE:   51 09:20:30        0.021811*       0.0437
FIRE:   52 09:20:30        0.021566*       0.0359
FIRE:   53 09:20:30        0.021344*       0.0267
FIRE:   54 09:20:30        0.021175*       0.0165
FIRE:   55 09:20:30        0.021093*       0.0233
FIRE:   56 09:20:30        0.021106*       0.0349
FIRE:   57 09:20:30        0.021103*       0.0347
FIRE:   58 09:20:30        0.021099*       0.0342
FIRE:   59 09:20:30        0.021092*       0.0335
FIRE:   60 09:20:30        0.021083*       0.0327
FIRE:   61 09:20:30        0.021073*       0.0316
FIRE:   62 09:20:30        0.021061*       0.0303
FIRE:   63 09:20:30        0.021048*       0.0288
FIRE:   64 09:20:30        0.021033*       0.0270
FIRE:   65 09:20:30        0.021016*       0.0248
FIRE:   66 09:20:30        0.020997*       0.0222
FIRE:   67 09:20:30        0.020978*       0.0190
FIRE:   68 09:20:30        0.020958*       0.0154
FIRE:   69 09:20:30        0.020940*       0.0113
FIRE:   70 09:20:30        0.020924*       0.0091
FIRE:   71 09:20:30        0.020910*       0.0082
FIRE:   72 09:20:30        0.020898*       0.0078
FIRE:   73 09:20:30        0.020886*       0.0079
FIRE:   74 09:20:30        0.020874*       0.0070
FIRE:   75 09:20:30        0.020862*       0.0064
FIRE:   76 09:20:30        0.020855*       0.0052
FIRE:   77 09:20:30        0.020859*       0.0027
FIRE:   78 09:20:31        0.020859*       0.0027
FIRE:   79 09:20:31        0.020859*       0.0026
FIRE:   80 09:20:31        0.020858*       0.0025
FIRE:   81 09:20:31        0.020858*       0.0025
FIRE:   82 09:20:31        0.020857*       0.0025
FIRE:   83 09:20:31        0.020856*       0.0025
FIRE:   84 09:20:31        0.020856*       0.0025
FIRE:   85 09:20:31        0.020855*       0.0024
FIRE:   86 09:20:31        0.020854*       0.0023
FIRE:   87 09:20:31        0.020853*       0.0021
FIRE:   88 09:20:31        0.020852*       0.0018
FIRE:   89 09:20:31        0.020852*       0.0013
FIRE:   90 09:20:31        0.020851*       0.0006
      Step     Time          Energy         fmax
*Force-consistent energies used in optimization.
FIRE:    0 09:20:31        0.671920*       3.2019
FIRE:    1 09:20:31      328.052953*     323.0617
FIRE:    2 09:20:31     1306.824172*    1117.6510
FIRE:    3 09:20:31     1010.009272*    1180.5386
FIRE:    4 09:20:31    15857.425604*   17991.7160
FIRE:    5 09:20:31      256.192474*     301.3847
FIRE:    6 09:20:31        1.448528*       3.5034
FIRE:    7 09:20:31        0.674902*       3.2145
FIRE:    8 09:20:31        0.670854*       3.1981
FIRE:    9 09:20:31        0.668732*       3.1906
FIRE:   10 09:20:31        0.665565*       3.1794
FIRE:   11 09:20:31        0.661370*       3.1645
FIRE:   12 09:20:31        0.656169*       3.1460
FIRE:   13 09:20:31        0.649988*       3.1240
FIRE:   14 09:20:31        0.642857*       3.0986
FIRE:   15 09:20:31        0.633908*       3.0665
FIRE:   16 09:20:31        0.622789*       3.0265
FIRE:   17 09:20:31        0.609115*       2.9770
FIRE:   18 09:20:31        0.592469*       2.9164
FIRE:   19 09:20:31        0.572420*       2.8428
FIRE:   20 09:20:31        0.548553*       2.7543
FIRE:   21 09:20:31        0.520505*       2.6488
FIRE:   22 09:20:31        0.488027*       2.5246
FIRE:   23 09:20:31        0.451054*       2.3803
FIRE:   24 09:20:31        0.409794*       2.2148
FIRE:   25 09:20:31        0.364822*       2.0283
FIRE:   26 09:20:31        0.317170*       1.8219
FIRE:   27 09:20:31        0.268375*       1.5982
FIRE:   28 09:20:31        0.220478*       1.3617
FIRE:   29 09:20:31        0.175921*       1.1177
FIRE:   30 09:20:31        0.137347*       0.8719
FIRE:   31 09:20:31        0.107270*       0.6291
FIRE:   32 09:20:31        0.087582*       0.3915
FIRE:   33 09:20:31        0.078842*       0.2649
FIRE:   34 09:20:31        0.079870*       0.3489
FIRE:   35 09:20:31        0.078526*       0.2632
FIRE:   36 09:20:31        0.077932*       0.2604
FIRE:   37 09:20:31        0.077071*       0.2564
FIRE:   38 09:20:31        0.075957*       0.2514
FIRE:   39 09:20:31        0.074607*       0.2454
FIRE:   40 09:20:31        0.073041*       0.2383
FIRE:   41 09:20:31        0.071281*       0.2304
FIRE:   42 09:20:31        0.069140*       0.2206
FIRE:   43 09:20:31        0.066580*       0.2086
FIRE:   44 09:20:31        0.063575*       0.1942
FIRE:   45 09:20:31        0.060123*       0.1979
FIRE:   46 09:20:31        0.056252*       0.2041
FIRE:   47 09:20:31        0.052035*       0.2102
FIRE:   48 09:20:31        0.047592*       0.2154
FIRE:   49 09:20:31        0.043091*       0.2183
FIRE:   50 09:20:31        0.038727*       0.2169
FIRE:   51 09:20:31        0.034685*       0.2084
FIRE:   52 09:20:31        0.031100*       0.1893
FIRE:   53 09:20:31        0.028042*       0.1567
FIRE:   54 09:20:31        0.025573*       0.1133
FIRE:   55 09:20:31        0.023860*       0.0992
FIRE:   56 09:20:31        0.023229*       0.0780
FIRE:   57 09:20:31        0.023165*       0.0769
FIRE:   58 09:20:31        0.023040*       0.0747
FIRE:   59 09:20:31        0.022863*       0.0714
FIRE:   60 09:20:31        0.022643*       0.0672
FIRE:   61 09:20:31        0.022393*       0.0620
FIRE:   62 09:20:31        0.022127*       0.0559
FIRE:   63 09:20:31        0.021859*       0.0491
FIRE:   64 09:20:31        0.021579*       0.0409
FIRE:   65 09:20:31        0.021309*       0.0311
FIRE:   66 09:20:31        0.021080*       0.0254
FIRE:   67 09:20:31        0.020930*       0.0208
FIRE:   68 09:20:32        0.020890*       0.0130
FIRE:   69 09:20:32        0.020889*       0.0128
FIRE:   70 09:20:32        0.020886*       0.0124
FIRE:   71 09:20:32        0.020883*       0.0118
FIRE:   72 09:20:32        0.020879*       0.0110
FIRE:   73 09:20:32        0.020874*       0.0101
FIRE:   74 09:20:32        0.020870*       0.0090
FIRE:   75 09:20:32        0.020865*       0.0078
FIRE:   76 09:20:32        0.020860*       0.0062
FIRE:   77 09:20:32        0.020856*       0.0045
FIRE:   78 09:20:32        0.020852*       0.0024
FIRE:   79 09:20:32        0.020851*       0.0007
PASSEDGlobal seed for "test/optimize/test_fire.py:test_fire" was: 9455
optimize/test_minimahop.py::test_minimahop SKIPPED (could not import...)
optimize/test_optimizers.py::test_optimize[MDMin] 
               MDMin: fmax=0.00917 eopt=0.002610, err=4.106256e-06
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_optimize_MDMin_0
Global seed for "test/optimize/test_optimizers.py:test_optimize" was: 8955
optimize/test_optimizers.py::test_optimize[FIRE] 
                FIRE: fmax=0.00930 eopt=0.002613, err=6.528158e-06
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_optimize_FIRE_0
Global seed for "test/optimize/test_optimizers.py:test_optimize" was: 8955
optimize/test_optimizers.py::test_optimize[LBFGS] 
               LBFGS: fmax=0.00338 eopt=0.002607, err=5.308066e-07
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_optimize_LBFGS_0
Global seed for "test/optimize/test_optimizers.py:test_optimize" was: 8955
optimize/test_optimizers.py::test_optimize[LBFGSLineSearch] 
     LBFGSLineSearch: fmax=0.00918 eopt=0.002610, err=4.017159e-06
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_optimize_LBFGSLineSearch_0
Global seed for "test/optimize/test_optimizers.py:test_optimize" was: 8955
optimize/test_optimizers.py::test_optimize[BFGSLineSearch] 
      BFGSLineSearch: fmax=0.00480 eopt=0.002607, err=8.295436e-07
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_optimize_BFGSLineSearch_0
Global seed for "test/optimize/test_optimizers.py:test_optimize" was: 8955
optimize/test_optimizers.py::test_optimize[BFGS] 
                BFGS: fmax=0.00338 eopt=0.002607, err=5.308066e-07
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_optimize_BFGS_0
Global seed for "test/optimize/test_optimizers.py:test_optimize" was: 8955
optimize/test_optimizers.py::test_optimize[GoodOldQuasiNewton] 
  GoodOldQuasiNewton: fmax=0.00594 eopt=0.002607, err=1.136351e-06
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_optimize_GoodOldQuasiNewt0
Global seed for "test/optimize/test_optimizers.py:test_optimize" was: 8955
optimize/test_optimizers.py::test_optimize[GPMin] 
               GPMin: fmax=0.00715 eopt=0.002608, err=2.012236e-06
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_optimize_GPMin_0
Global seed for "test/optimize/test_optimizers.py:test_optimize" was: 8955
optimize/test_optimizers.py::test_optimize[SciPyFminCG] 
         SciPyFminCG: fmax=0.00338 eopt=0.002607, err=8.926028e-07
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_optimize_SciPyFminCG_0
Global seed for "test/optimize/test_optimizers.py:test_optimize" was: 8955
optimize/test_optimizers.py::test_optimize[SciPyFminBFGS] 
       SciPyFminBFGS: fmax=0.00305 eopt=0.002607, err=3.916712e-07
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_optimize_SciPyFminBFGS_0
Global seed for "test/optimize/test_optimizers.py:test_optimize" was: 8955
optimize/test_optimizers.py::test_optimize[PreconLBFGS] 
         PreconLBFGS: fmax=0.00828 eopt=0.002611, err=4.724702e-06
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_optimize_PreconLBFGS_0
Global seed for "test/optimize/test_optimizers.py:test_optimize" was: 8955
optimize/test_optimizers.py::test_optimize[PreconFIRE] 
          PreconFIRE: fmax=0.00998 eopt=0.002612, err=5.478418e-06
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_optimize_PreconFIRE_0
Global seed for "test/optimize/test_optimizers.py:test_optimize" was: 8955
optimize/test_optimizers.py::test_optimize[Berny] SKIPPED (could not...)Testdir: /tmp/pytest-of-mockbuild/pytest-0/test_optimize_Berny_0
Global seed for "test/optimize/test_optimizers.py:test_optimize" was: 8955
optimize/test_optimizers.py::test_optimize[ODE12r] 
              ODE12r: fmax=0.00414 eopt=0.002609, err=2.909321e-06
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_optimize_ODE12r_0
Global seed for "test/optimize/test_optimizers.py:test_optimize" was: 8955
optimize/test_optimizers.py::test_optimize[PreconODE12r] 
        PreconODE12r: fmax=0.00966 eopt=0.002623, err=1.656359e-05
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_optimize_PreconODE12r_0
Global seed for "test/optimize/test_optimizers.py:test_optimize" was: 8955
optimize/test_replay.py::test_replay [FixAtoms(indices=[0, 1, 2, 3])]
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_replay0
Global seed for "test/optimize/test_replay.py:test_replay" was: 12142
precon/test_amin.py::test_precon_amin PreconLBFGS:   0  09:20:35      -61.653501       0.0000       0.2810
PreconLBFGS:   1  09:20:35      -61.968185       0.0000       0.2474
PreconLBFGS:   2  09:20:35      -62.222985       0.0000       0.2268
PreconLBFGS:   3  09:20:35      -62.446557       0.0000       0.2084
PreconLBFGS:   4  09:20:35      -62.645778       0.0000       0.1892
PreconLBFGS:   5  09:20:35      -62.825438       0.0000       0.1713
PreconLBFGS:   6  09:20:35      -62.983353       0.0000       0.1516
PreconLBFGS:   7  09:20:35      -63.123980       0.0000       0.1305
PreconLBFGS:   8  09:20:36      -63.244731       0.0000       0.1081
PreconLBFGS:   9  09:20:36      -63.344426       0.0000       0.0845
PreconLBFGS:  10  09:20:36      -63.421503       0.0000       0.0596
PreconLBFGS:  11  09:20:36      -63.474076       0.0000       0.0335
PreconLBFGS:  12  09:20:36      -63.501469       0.0000       0.0108
PreconLBFGS:  13  09:20:36      -63.502371       0.0000       0.0057
PreconLBFGS:  14  09:20:36      -63.503103       0.0000       0.0031
PreconLBFGS:  15  09:20:36      -63.503196       0.0000       0.0014
PreconLBFGS:  16  09:20:36      -63.503229       0.0000       0.0003
PreconLBFGS:  17  09:20:36      -63.503230       0.0000       0.0002
PreconLBFGS:  18  09:20:36      -63.503231       0.0000       0.0001
PreconLBFGS:  19  09:20:36      -63.503231       0.0000       0.0001
PreconLBFGS:   0  09:20:36      -61.653501       0.0000       0.2810
PreconLBFGS:   1  09:20:36      -61.968185       0.0000       0.2474
PreconLBFGS:   2  09:20:36      -62.222985       0.0000       0.2268
PreconLBFGS:   3  09:20:36      -62.446557       0.0000       0.2084
PreconLBFGS:   4  09:20:36      -62.645778       0.0000       0.1892
PreconLBFGS:   5  09:20:36      -62.825438       0.0000       0.1713
PreconLBFGS:   6  09:20:36      -62.983353       0.0000       0.1516
PreconLBFGS:   7  09:20:36      -63.123980       0.0000       0.1305
PreconLBFGS:   8  09:20:36      -63.244731       0.0000       0.1081
PreconLBFGS:   9  09:20:36      -63.344426       0.0000       0.0845
PreconLBFGS:  10  09:20:36      -63.421503       0.0000       0.0596
PreconLBFGS:  11  09:20:36      -63.474076       0.0000       0.0335
PreconLBFGS:  12  09:20:36      -63.501469       0.0000       0.0108
PreconLBFGS:  13  09:20:36      -63.502371       0.0000       0.0057
PreconLBFGS:  14  09:20:36      -63.503103       0.0000       0.0031
PreconLBFGS:  15  09:20:36      -63.503196       0.0000       0.0014
PreconLBFGS:  16  09:20:36      -63.503229       0.0000       0.0003
PreconLBFGS:  17  09:20:36      -63.503230       0.0000       0.0002
PreconLBFGS:  18  09:20:36      -63.503231       0.0000       0.0001
PreconLBFGS:  19  09:20:36      -63.503231       0.0000       0.0001
PreconLBFGS:   0  09:20:36      -61.653501       0.0000       0.2810
PreconLBFGS:   1  09:20:36      -63.056494       0.0000       0.1801
PreconLBFGS:   2  09:20:36      -63.342215       0.0000       0.0978
PreconLBFGS:   3  09:20:36      -63.438300       0.0000       0.0515
PreconLBFGS:   4  09:20:36      -63.485733       0.0000       0.0257
PreconLBFGS:   5  09:20:36      -63.498985       0.0000       0.0148
PreconLBFGS:   6  09:20:36      -63.503021       0.0000       0.0025
PreconLBFGS:   7  09:20:36      -63.503186       0.0000       0.0016
PreconLBFGS:   8  09:20:36      -63.503221       0.0000       0.0007
PreconLBFGS:   9  09:20:37      -63.503230       0.0000       0.0003
PreconLBFGS:  10  09:20:37      -63.503231       0.0000       0.0000
PreconLBFGS:   0  09:20:37      -61.653501       0.0000       0.2810
PreconLBFGS:   1  09:20:37      -63.056494       0.0000       0.1801
PreconLBFGS:   2  09:20:37      -63.342215       0.0000       0.0978
PreconLBFGS:   3  09:20:37      -63.438300       0.0000       0.0515
PreconLBFGS:   4  09:20:37      -63.485733       0.0000       0.0257
PreconLBFGS:   5  09:20:37      -63.498985       0.0000       0.0148
PreconLBFGS:   6  09:20:37      -63.503021       0.0000       0.0025
PreconLBFGS:   7  09:20:37      -63.503186       0.0000       0.0016
PreconLBFGS:   8  09:20:37      -63.503221       0.0000       0.0007
PreconLBFGS:   9  09:20:37      -63.503230       0.0000       0.0003
PreconLBFGS:  10  09:20:37      -63.503231       0.0000       0.0000
PASSEDGlobal seed for "test/precon/test_amin.py:test_precon_amin" was: 5244
precon/test_ff_and_precon_c60.py::test_opt_with_precon PreconLBFGS:   0  09:20:44       32.155131      16.5634
PreconLBFGS:   1  09:20:46       26.037912      12.3772
PreconLBFGS:   2  09:20:47       22.061769       9.0889
PreconLBFGS:   3  09:20:48       19.677147       6.4248
PreconLBFGS:   4  09:20:49       18.306168       4.2335
PreconLBFGS:   5  09:20:50       17.265063       0.6127
PreconLBFGS:   6  09:20:51       17.240080       0.1004
PreconLBFGS:   7  09:20:52       17.238569       0.0145
PASSEDGlobal seed for "test/precon/test_ff_and_precon_c60.py:test_opt_with_precon" was: 3216
precon/test_lbfgs.py::test_preconlbfgs PreconLBFGS:   0  09:20:52       -0.022081       0.0715
PreconLBFGS:   1  09:20:52       -0.022726       0.0000
PreconLBFGS:   0  09:20:52       -0.022081       0.0715
PreconLBFGS:   1  09:20:52       -0.022703       0.0134
PreconLBFGS:   2  09:20:52       -0.022726       0.0000
PreconFIRE:   0  09:20:52       -0.022081       0.0715
PreconFIRE:   1  09:20:52       -0.022269       0.0602
PreconFIRE:   2  09:20:52       -0.022531       0.0393
PreconFIRE:   3  09:20:52       -0.022707       0.0122
PreconFIRE:   4  09:20:53       -0.022690       0.0117
PreconFIRE:   5  09:20:53       -0.022711       0.0108
PreconFIRE:   6  09:20:53       -0.022715       0.0094
PreconFIRE:   7  09:20:53       -0.022719       0.0077
PreconFIRE:   8  09:20:53       -0.022722       0.0056
PreconFIRE:   9  09:20:53       -0.022725       0.0033
PreconFIRE:  10  09:20:53       -0.022726       0.0009
PreconFIRE:  11  09:20:53       -0.022726       0.0009
PreconFIRE:  12  09:20:53       -0.022726       0.0009
PreconFIRE:  13  09:20:53       -0.022726       0.0009
PreconFIRE:  14  09:20:53       -0.022726       0.0008
PreconFIRE:  15  09:20:53       -0.022726       0.0008
PreconFIRE:  16  09:20:53       -0.022726       0.0007
PreconFIRE:  17  09:20:53       -0.022726       0.0007
PreconFIRE:  18  09:20:53       -0.022726       0.0006
PreconFIRE:  19  09:20:53       -0.022726       0.0005
PreconFIRE:  20  09:20:53       -0.022726       0.0004
PreconFIRE:  21  09:20:53       -0.022726       0.0003
PreconFIRE:  22  09:20:53       -0.022726       0.0001
PreconFIRE:  23  09:20:53       -0.022726       0.0000
PreconFIRE:   0  09:20:53       -0.022081       0.0715
PreconFIRE:   1  09:20:53       -0.022091       0.0709
PreconFIRE:   2  09:20:53       -0.022112       0.0698
PreconFIRE:   3  09:20:53       -0.022142       0.0680
PreconFIRE:   4  09:20:53       -0.022180       0.0658
PreconFIRE:   5  09:20:53       -0.022226       0.0629
PreconFIRE:   6  09:20:53       -0.022277       0.0596
PreconFIRE:   7  09:20:53       -0.022333       0.0558
PreconFIRE:   8  09:20:53       -0.022391       0.0511
PreconFIRE:   9  09:20:53       -0.022461       0.0453
PreconFIRE:  10  09:20:53       -0.022535       0.0382
PreconFIRE:  11  09:20:53       -0.022608       0.0298
PreconFIRE:  12  09:20:53       -0.022671       0.0199
PreconFIRE:  13  09:20:53       -0.022714       0.0085
PreconFIRE:  14  09:20:53       -0.022725       0.0043
PreconFIRE:  15  09:20:53       -0.022690       0.0043
PreconFIRE:  16  09:20:53       -0.022724       0.0042
PreconFIRE:  17  09:20:53       -0.022724       0.0041
PreconFIRE:  18  09:20:53       -0.022724       0.0040
PreconFIRE:  19  09:20:53       -0.022724       0.0038
PreconFIRE:  20  09:20:53       -0.022724       0.0036
PreconFIRE:  21  09:20:53       -0.022725       0.0034
PreconFIRE:  22  09:20:53       -0.022725       0.0031
PreconFIRE:  23  09:20:53       -0.022725       0.0028
PreconFIRE:  24  09:20:53       -0.022725       0.0024
PreconFIRE:  25  09:20:53       -0.022726       0.0019
PreconFIRE:  26  09:20:53       -0.022726       0.0013
PreconFIRE:  27  09:20:53       -0.022726       0.0007
PreconFIRE:  28  09:20:53       -0.022726       0.0001
PreconLBFGS:   0  09:20:54        1.064233       0.9446
PreconLBFGS:   1  09:20:54        1.007832       0.5911
PreconLBFGS:   2  09:20:54        0.998245       0.6037
PreconLBFGS:   3  09:20:54        0.982392       0.4287
PreconLBFGS:   4  09:20:54        0.973405       0.3393
PreconLBFGS:   5  09:20:54        0.969136       0.2302
PreconLBFGS:   6  09:20:54        0.964542       0.1244
PreconLBFGS:   7  09:20:54        0.962105       0.0440
PreconLBFGS:   8  09:20:54        0.961910       0.0343
PreconLBFGS:   9  09:20:54        0.961799       0.0229
PreconLBFGS:  10  09:20:54        0.961755       0.0152
PreconLBFGS:  11  09:20:54        0.961715       0.0094
PreconLBFGS:  12  09:20:54        0.961700       0.0036
PreconLBFGS:  13  09:20:54        0.961698       0.0021
PreconLBFGS:  14  09:20:54        0.961697       0.0012
PreconLBFGS:  15  09:20:54        0.961697       0.0005
PreconLBFGS:   0  09:20:54        1.064233       0.9446
PreconLBFGS:   1  09:20:54        0.996307       0.4980
PreconLBFGS:   2  09:20:54        0.963126       0.0718
PreconLBFGS:   3  09:20:54        0.962127       0.0355
PreconLBFGS:   4  09:20:54        0.961878       0.0258
PreconLBFGS:   5  09:20:54        0.961744       0.0127
PreconLBFGS:   6  09:20:54        0.961714       0.0072
PreconLBFGS:   7  09:20:54        0.961705       0.0043
PreconLBFGS:   8  09:20:54        0.961700       0.0039
PreconLBFGS:   9  09:20:54        0.961698       0.0017
PreconLBFGS:  10  09:20:54        0.961697       0.0005
PASSEDGlobal seed for "test/precon/test_lbfgs.py:test_preconlbfgs" was: 7425
precon/test_precon_assembly.py::test_assembly_ref_atoms[None] PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_assembly_ref_atoms" was: 8052
precon/test_precon_assembly.py::test_assembly_ref_atoms[C1] PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_assembly_ref_atoms" was: 8052
precon/test_precon_assembly.py::test_assembly_ref_atoms[Exp] PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_assembly_ref_atoms" was: 8052
precon/test_precon_assembly.py::test_assembly_ref_atoms[Pfrommer] PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_assembly_ref_atoms" was: 8052
precon/test_precon_assembly.py::test_assembly_ref_atoms[FF] PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_assembly_ref_atoms" was: 8052
precon/test_precon_assembly.py::test_assembly_ref_atoms[Exp_FF] PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_assembly_ref_atoms" was: 8052
precon/test_precon_assembly.py::test_assembly_atoms[None] PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_assembly_atoms" was: 1330
precon/test_precon_assembly.py::test_assembly_atoms[C1] PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_assembly_atoms" was: 1330
precon/test_precon_assembly.py::test_assembly_atoms[Exp] PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_assembly_atoms" was: 1330
precon/test_precon_assembly.py::test_assembly_atoms[Pfrommer] PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_assembly_atoms" was: 1330
precon/test_precon_assembly.py::test_assembly_atoms[FF] PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_assembly_atoms" was: 1330
precon/test_precon_assembly.py::test_assembly_atoms[Exp_FF] PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_assembly_atoms" was: 1330
precon/test_precon_assembly.py::test_assembly_var_cell[None] PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_assembly_var_cell" was: 8291
precon/test_precon_assembly.py::test_assembly_var_cell[C1] PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_assembly_var_cell" was: 8291
precon/test_precon_assembly.py::test_assembly_var_cell[Exp] PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_assembly_var_cell" was: 8291
precon/test_precon_assembly.py::test_assembly_var_cell[Pfrommer] PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_assembly_var_cell" was: 8291
precon/test_precon_assembly.py::test_assembly_var_cell[FF] PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_assembly_var_cell" was: 8291
precon/test_precon_assembly.py::test_assembly_var_cell[Exp_FF] PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_assembly_var_cell" was: 8291
precon/test_precon_assembly.py::test_assembly_fixed_atoms[None] PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_assembly_fixed_atoms" was: 6311
precon/test_precon_assembly.py::test_assembly_fixed_atoms[C1] PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_assembly_fixed_atoms" was: 6311
precon/test_precon_assembly.py::test_assembly_fixed_atoms[Exp] PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_assembly_fixed_atoms" was: 6311
precon/test_precon_assembly.py::test_assembly_fixed_atoms[Pfrommer] PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_assembly_fixed_atoms" was: 6311
precon/test_precon_assembly.py::test_assembly_fixed_atoms[FF] PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_assembly_fixed_atoms" was: 6311
precon/test_precon_assembly.py::test_assembly_fixed_atoms[Exp_FF] PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_assembly_fixed_atoms" was: 6311
precon/test_precon_assembly.py::test_apply_atoms[None] |F| = 1.153 |F|_P = 1.153
PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_apply_atoms" was: 7158
precon/test_precon_assembly.py::test_apply_atoms[C1] |F| = 1.153 |F|_P = 0.024
PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_apply_atoms" was: 7158
precon/test_precon_assembly.py::test_apply_atoms[Exp] |F| = 1.153 |F|_P = 0.072
PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_apply_atoms" was: 7158
precon/test_precon_assembly.py::test_apply_atoms[Pfrommer] |F| = 1.153 |F|_P = 0.165
PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_apply_atoms" was: 7158
precon/test_precon_assembly.py::test_apply_atoms[FF] |F| = 1.153 |F|_P = 0.103
PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_apply_atoms" was: 7158
precon/test_precon_assembly.py::test_apply_atoms[Exp_FF] |F| = 1.153 |F|_P = 0.103
PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_apply_atoms" was: 7158
precon/test_precon_assembly.py::test_apply_fixed_atoms[None] |F| = 1.153 |F|_P = 1.153
PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_apply_fixed_atoms" was: 4660
precon/test_precon_assembly.py::test_apply_fixed_atoms[C1] |F| = 1.153 |F|_P = 0.035
PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_apply_fixed_atoms" was: 4660
precon/test_precon_assembly.py::test_apply_fixed_atoms[Exp] |F| = 1.153 |F|_P = 0.105
PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_apply_fixed_atoms" was: 4660
precon/test_precon_assembly.py::test_apply_fixed_atoms[Pfrommer] |F| = 1.153 |F|_P = 0.165
PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_apply_fixed_atoms" was: 4660
precon/test_precon_assembly.py::test_apply_fixed_atoms[FF] |F| = 1.153 |F|_P = 0.369
PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_apply_fixed_atoms" was: 4660
precon/test_precon_assembly.py::test_apply_fixed_atoms[Exp_FF] |F| = 1.153 |F|_P = 0.369
PASSEDGlobal seed for "test/precon/test_precon_assembly.py:test_apply_fixed_atoms" was: 4660
precon/test_smallcell.py::test_precon_warn PASSEDGlobal seed for "test/precon/test_smallcell.py:test_precon_warn" was: 567
precon/test_smallcell.py::test_precon_nowarn PASSEDGlobal seed for "test/precon/test_smallcell.py:test_precon_nowarn" was: 11999
precon/test_unitcellfilter.py::test_precon PreconLBFGS:   0  09:20:56      -27.526421      29.9964       0.1618
PreconLBFGS:   1  09:20:56      -33.555144      23.0862       0.1243
PreconLBFGS:   2  09:20:56      -37.584308      18.6983       0.0881
PreconLBFGS:   3  09:20:56      -38.337169      17.4272       0.1063
PreconLBFGS:   4  09:20:56      -39.764797      15.6333       0.0962
PreconLBFGS:   5  09:20:56      -40.613281      15.7232       0.0720
PreconLBFGS:   6  09:20:56      -42.195420      13.5227       0.0666
PreconLBFGS:   7  09:20:57      -44.428977      10.7254       0.0526
PreconLBFGS:   8  09:20:57      -46.147146       8.5242       0.0414
PreconLBFGS:   9  09:20:57      -47.442733       6.8226       0.0328
PreconLBFGS:  10  09:20:57      -48.410914       5.5200       0.0261
PreconLBFGS:  11  09:20:57      -49.136377       4.5221       0.0210
PreconLBFGS:  12  09:20:57      -49.688080       3.7474       0.0171
PreconLBFGS:  13  09:20:57      -50.118828       3.1313       0.0140
PreconLBFGS:  14  09:20:57      -50.457042       2.6310       0.0119
PreconLBFGS:  15  09:20:57      -50.739055       2.1934       0.0103
PreconLBFGS:  16  09:20:57      -50.978587       1.7906       0.0092
PreconLBFGS:  17  09:20:57      -51.189025       1.4008       0.0103
PreconLBFGS:  18  09:20:57      -51.329574       1.0906       0.0088
PreconLBFGS:  19  09:20:57      -51.496441       0.6591       0.0072
PreconLBFGS:  20  09:20:57      -51.570075       0.4644       0.0052
PreconLBFGS:  21  09:20:57      -51.613355       0.3442       0.0036
PreconLBFGS:  22  09:20:57      -51.641560       0.2326       0.0018
PreconLBFGS:  23  09:20:57      -51.657542       0.0279       0.0018
PreconLBFGS:  24  09:20:57      -51.658464       0.0370       0.0009
PreconLBFGS:  25  09:20:57      -51.658700       0.0423       0.0006
PreconLBFGS:  26  09:20:57      -51.659025       0.0451       0.0003
PreconLBFGS:  27  09:20:57      -51.659225       0.0351       0.0002
PreconLBFGS:  28  09:20:57      -51.659447       0.0096       0.0001
PreconLBFGS:  29  09:20:57      -51.659486       0.0061       0.0000
PreconLBFGS:  30  09:20:57      -51.659492       0.0043       0.0000
PreconLBFGS:  31  09:20:57      -51.659494       0.0034       0.0000
PreconLBFGS:  32  09:20:57      -51.659496       0.0029       0.0000
PreconLBFGS:  33  09:20:57      -51.659497       0.0025       0.0000
PreconLBFGS:  34  09:20:57      -51.659498       0.0018       0.0000
PreconLBFGS:  35  09:20:57      -51.659498       0.0008       0.0000
PreconLBFGS:   0  09:20:57      -27.526421      29.9964       0.1618
PreconLBFGS:   1  09:20:57      -30.073306      32.7652       0.0352
PreconLBFGS:   2  09:20:57      -34.633524      25.9237       0.0155
PreconLBFGS:   3  09:20:57      -38.706939      20.2066       0.0126
PreconLBFGS:   4  09:20:57      -40.502406      17.9125       0.0105
PreconLBFGS:   5  09:20:57      -42.715803      14.3505       0.0094
PreconLBFGS:   6  09:20:57      -44.126451      12.3909       0.0091
PreconLBFGS:   7  09:20:57      -45.206760      11.1282       0.0137
PreconLBFGS:   8  09:20:57      -45.746533      11.3241       0.0761
PreconLBFGS:   9  09:20:57      -45.844772      11.0000       0.0607
PreconLBFGS:  10  09:20:57      -46.005503      10.3622       0.0585
PreconLBFGS:  11  09:20:57      -46.316569       9.8219       0.0551
PreconLBFGS:  12  09:20:57      -46.841165       9.4845       0.0519
PreconLBFGS:  13  09:20:57      -47.542135       8.3568       0.0453
PreconLBFGS:  14  09:20:57      -48.168363       7.3495       0.0390
PreconLBFGS:  15  09:20:57      -48.737339       6.4222       0.0326
PreconLBFGS:  16  09:20:57      -49.257447       5.5287       0.0258
PreconLBFGS:  17  09:20:57      -49.762753       4.5755       0.0189
PreconLBFGS:  18  09:20:57      -50.264055       3.5781       0.0149
PreconLBFGS:  19  09:20:57      -50.752867       2.5653       0.0110
PreconLBFGS:  20  09:20:57      -51.397799       1.0586       0.0064
PreconLBFGS:  21  09:20:57      -51.566464       0.5498       0.0036
PreconLBFGS:  22  09:20:57      -51.599129       0.3088       0.0097
PreconLBFGS:  23  09:20:58      -51.613670       0.2548       0.0067
PreconLBFGS:  24  09:20:58      -51.621377       0.2329       0.0054
PreconLBFGS:  25  09:20:58      -51.639678       0.2043       0.0028
PreconLBFGS:  26  09:20:58      -51.647043       0.1374       0.0026
PreconLBFGS:  27  09:20:58      -51.650072       0.1151       0.0023
PreconLBFGS:  28  09:20:58      -51.651571       0.0978       0.0030
PreconLBFGS:  29  09:20:58      -51.653506       0.0887       0.0023
PreconLBFGS:  30  09:20:58      -51.656291       0.0744       0.0019
PreconLBFGS:  31  09:20:58      -51.658237       0.0532       0.0006
PreconLBFGS:  32  09:20:58      -51.658831       0.0363       0.0005
PreconLBFGS:  33  09:20:58      -51.659058       0.0262       0.0006
PreconLBFGS:  34  09:20:58      -51.659279       0.0228       0.0004
PreconLBFGS:  35  09:20:58      -51.659381       0.0172       0.0003
PreconLBFGS:  36  09:20:58      -51.659467       0.0084       0.0001
PreconLBFGS:  37  09:20:58      -51.659476       0.0067       0.0001
PreconLBFGS:  38  09:20:58      -51.659489       0.0045       0.0001
PreconLBFGS:  39  09:20:58      -51.659494       0.0035       0.0000
PreconLBFGS:  40  09:20:58      -51.659498       0.0016       0.0000
PreconLBFGS:  41  09:20:58      -51.659499       0.0006       0.0000
PASSEDGlobal seed for "test/precon/test_unitcellfilter.py:test_precon" was: 4703
spacegroup/test_space_group_data.py::test_valid_spacegroup[100-TET-4mm-True] PASSEDGlobal seed for "test/spacegroup/test_space_group_data.py:test_valid_spacegroup" was: 9678
spacegroup/test_space_group_data.py::test_valid_spacegroup[225-FCC-4/m -3 2/m-False] PASSEDGlobal seed for "test/spacegroup/test_space_group_data.py:test_valid_spacegroup" was: 9678
spacegroup/test_space_group_data.py::test_nonpositive_spacegroup[get_bravais_class] PASSEDGlobal seed for "test/spacegroup/test_space_group_data.py:test_nonpositive_spacegroup" was: 380
spacegroup/test_space_group_data.py::test_nonpositive_spacegroup[get_point_group] PASSEDGlobal seed for "test/spacegroup/test_space_group_data.py:test_nonpositive_spacegroup" was: 380
spacegroup/test_space_group_data.py::test_nonpositive_spacegroup[polar_space_group] PASSEDGlobal seed for "test/spacegroup/test_space_group_data.py:test_nonpositive_spacegroup" was: 380
spacegroup/test_space_group_data.py::test_bad_spacegroup[get_bravais_class] PASSEDGlobal seed for "test/spacegroup/test_space_group_data.py:test_bad_spacegroup" was: 1758
spacegroup/test_space_group_data.py::test_bad_spacegroup[get_point_group] PASSEDGlobal seed for "test/spacegroup/test_space_group_data.py:test_bad_spacegroup" was: 1758
spacegroup/test_space_group_data.py::test_bad_spacegroup[polar_space_group] PASSEDGlobal seed for "test/spacegroup/test_space_group_data.py:test_bad_spacegroup" was: 1758
spacegroup/test_space_group_data.py::test_spacegroup_reciprocal_cell PASSEDGlobal seed for "test/spacegroup/test_space_group_data.py:test_spacegroup_reciprocal_cell" was: 1195
spacegroup/test_spacegroup.py::test_spacegroup_miscellaneous PASSEDGlobal seed for "test/spacegroup/test_spacegroup.py:test_spacegroup_miscellaneous" was: 357
spacegroup/test_spacegroup.py::test_spacegroup_parse_sitesym PASSEDGlobal seed for "test/spacegroup/test_spacegroup.py:test_spacegroup_parse_sitesym" was: 10541
spacegroup/test_spacegroup.py::test_spacegroup_parse_sitesym_single PASSEDGlobal seed for "test/spacegroup/test_spacegroup.py:test_spacegroup_parse_sitesym_single" was: 1668
spacegroup/test_spacegroup.py::test_spacegroup_parse_sitesym_element PASSEDGlobal seed for "test/spacegroup/test_spacegroup.py:test_spacegroup_parse_sitesym_element" was: 10906
spacegroup/test_spacegroup_crystal.py::test_diamond PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_diamond0
Global seed for "test/spacegroup/test_spacegroup_crystal.py:test_diamond" was: 10496
spacegroup/test_spacegroup_crystal.py::test_skutterudite PASSEDGlobal seed for "test/spacegroup/test_spacegroup_crystal.py:test_skutterudite" was: 2033
spacegroup/test_spacegroup_utils.py::test_get_basis[<lambda>0] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis" was: 7372
spacegroup/test_spacegroup_utils.py::test_get_basis[<lambda>1] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis" was: 7372
spacegroup/test_spacegroup_utils.py::test_get_basis[<lambda>2] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis" was: 7372
spacegroup/test_spacegroup_utils.py::test_get_basis[<lambda>3] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis" was: 7372
spacegroup/test_spacegroup_utils.py::test_get_basis_infer_sg[<lambda>0] SKIPPEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_infer_sg" was: 5608
spacegroup/test_spacegroup_utils.py::test_get_basis_infer_sg[<lambda>1] SKIPPEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_infer_sg" was: 5608
spacegroup/test_spacegroup_utils.py::test_get_basis_infer_sg[<lambda>2] SKIPPEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_infer_sg" was: 5608
spacegroup/test_spacegroup_utils.py::test_get_basis_infer_sg[<lambda>3] SKIPPEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_infer_sg" was: 5608
spacegroup/test_spacegroup_utils.py::test_get_basis_spglib[<lambda>0] SKIPPEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_spglib" was: 4744
spacegroup/test_spacegroup_utils.py::test_get_basis_spglib[<lambda>1] SKIPPEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_spglib" was: 4744
spacegroup/test_spacegroup_utils.py::test_get_basis_spglib[<lambda>2] SKIPPEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_spglib" was: 4744
spacegroup/test_spacegroup_utils.py::test_get_basis_spglib[<lambda>3] SKIPPEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_spglib" was: 4744
spacegroup/test_spacegroup_utils.py::test_get_basis_ase[<lambda>0] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_ase" was: 3798
spacegroup/test_spacegroup_utils.py::test_get_basis_ase[<lambda>1] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_ase" was: 3798
spacegroup/test_spacegroup_utils.py::test_get_basis_ase[<lambda>2] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_ase" was: 3798
spacegroup/test_spacegroup_utils.py::test_get_basis_ase[<lambda>3] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_ase" was: 3798
spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_type[<lambda>0-251.5] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_type" was: 10996
spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_type[<lambda>0-spacegroup1] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_type" was: 10996
spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_type[<lambda>0-spacegroup2] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_type" was: 10996
spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_type[<lambda>1-251.5] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_type" was: 10996
spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_type[<lambda>1-spacegroup1] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_type" was: 10996
spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_type[<lambda>1-spacegroup2] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_type" was: 10996
spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_type[<lambda>2-251.5] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_type" was: 10996
spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_type[<lambda>2-spacegroup1] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_type" was: 10996
spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_type[<lambda>2-spacegroup2] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_type" was: 10996
spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_type[<lambda>3-251.5] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_type" was: 10996
spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_type[<lambda>3-spacegroup1] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_type" was: 10996
spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_type[<lambda>3-spacegroup2] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_type" was: 10996
spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_method[<lambda>0-None] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_method[<lambda>0-12] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_method[<lambda>0-nonsense] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_method[<lambda>0-True] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_method[<lambda>0-False] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_method[<lambda>1-None] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_method[<lambda>1-12] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_method[<lambda>1-nonsense] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_method[<lambda>1-True] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_method[<lambda>1-False] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_method[<lambda>2-None] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_method[<lambda>2-12] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_method[<lambda>2-nonsense] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_method[<lambda>2-True] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_method[<lambda>2-False] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_method[<lambda>3-None] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_method[<lambda>3-12] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_method[<lambda>3-nonsense] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_method[<lambda>3-True] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_method[<lambda>3-False] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114
spacegroup/test_spacegroup_utils.py::test_get_basis_group_1[<lambda>0] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_group_1" was: 2202
spacegroup/test_spacegroup_utils.py::test_get_basis_group_1[<lambda>1] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_group_1" was: 2202
spacegroup/test_spacegroup_utils.py::test_get_basis_group_1[<lambda>2] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_group_1" was: 2202
spacegroup/test_spacegroup_utils.py::test_get_basis_group_1[<lambda>3] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_group_1" was: 2202
spectrum/test_doscollection.py::TestDOSCollection::test_sequence[0] PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_sequence" was: 8391
spectrum/test_doscollection.py::TestDOSCollection::test_sequence[1] PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_sequence" was: 8391
spectrum/test_doscollection.py::TestDOSCollection::test_sequence[3] PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_sequence" was: 8391
spectrum/test_doscollection.py::TestDOSCollection::test_plot[1] SKIPPED
spectrum/test_doscollection.py::TestDOSCollection::test_plot[5] SKIPPED
spectrum/test_doscollection.py::TestDOSCollection::test_plot[None] SKIPPED
spectrum/test_doscollection.py::TestDOSCollection::test_slicing PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_slicing" was: 7280
spectrum/test_doscollection.py::TestDOSCollection::test_collection_equality PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_collection_equality" was: 753
spectrum/test_doscollection.py::TestDOSCollection::test_equality_wrongtype[True] PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_equality_wrongtype" was: 1218
spectrum/test_doscollection.py::TestDOSCollection::test_equality_wrongtype[1] PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_equality_wrongtype" was: 1218
spectrum/test_doscollection.py::TestDOSCollection::test_equality_wrongtype[0.5] PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_equality_wrongtype" was: 1218
spectrum/test_doscollection.py::TestDOSCollection::test_equality_wrongtype[string] PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_equality_wrongtype" was: 1218
spectrum/test_doscollection.py::TestDOSCollection::test_equality_wrongtype[rawdos] PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_equality_wrongtype" was: 1218
spectrum/test_doscollection.py::TestDOSCollection::test_addition PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_addition" was: 6682
spectrum/test_doscollection.py::TestDOSCollection::test_sample[options0] PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_sample" was: 10121
spectrum/test_doscollection.py::TestDOSCollection::test_sample[options1] PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_sample" was: 10121
spectrum/test_doscollection.py::TestDOSCollection::test_sample_grid[options0] PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_sample_grid" was: 3706
spectrum/test_doscollection.py::TestDOSCollection::test_sample_grid[options1] PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_sample_grid" was: 3706
spectrum/test_doscollection.py::TestDOSCollection::test_sample_empty PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_sample_empty" was: 5009
spectrum/test_doscollection.py::TestDOSCollection::test_from_data[x0-weights0-bad_info0] PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_from_data" was: 10280
spectrum/test_doscollection.py::TestDOSCollection::test_from_data[x1-weights1-bad_info1] PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_from_data" was: 10280
spectrum/test_doscollection.py::TestDOSCollection::test_sum_all[collection_data0-collection_info0-expected0] PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_sum_all" was: 4874
spectrum/test_doscollection.py::TestDOSCollection::test_sum_all[collection_data1-collection_info1-expected1] PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_sum_all" was: 4874
spectrum/test_doscollection.py::TestDOSCollection::test_sum_all[collection_data2-collection_info2-expected2] PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_sum_all" was: 4874
spectrum/test_doscollection.py::TestDOSCollection::test_sum_empty PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_sum_empty" was: 9717
spectrum/test_doscollection.py::TestDOSCollection::test_total[collection_data0-collection_info0] PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_total" was: 10204
spectrum/test_doscollection.py::TestDOSCollection::test_total[collection_data1-collection_info1] PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_total" was: 10204
spectrum/test_doscollection.py::TestDOSCollection::test_total[collection_data2-collection_info2] PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_total" was: 10204
spectrum/test_doscollection.py::TestDOSCollection::test_select[select_info0-select_query0-select_result0-select_not_result0-sum_by_result0] PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_select" was: 7969
spectrum/test_doscollection.py::TestDOSCollection::test_select[select_info1-select_query1-select_result1-None-sum_by_result1] PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_select" was: 7969
spectrum/test_doscollection.py::TestDOSCollection::test_select[select_info2-select_query2-None-select_not_result2-sum_by_result2] PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_select" was: 7969
spectrum/test_doscollection.py::TestDOSCollection::test_select[select_info3-select_query3-select_result3-select_not_result3-sum_by_result3] PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_select" was: 7969
spectrum/test_doscollection.py::TestRawDOSCollection::test_init PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_init" was: 4471
spectrum/test_doscollection.py::TestGridDOSCollection::test_init_errors PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_init_errors" was: 5800
spectrum/test_doscollection.py::TestGridDOSCollection::test_select PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_select" was: 7969
spectrum/test_doscollection.py::TestGridDOSCollection::test_sequence PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_sequence" was: 8391
spectrum/test_doscollection.py::TestGridDOSCollection::test_slicing PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_slicing" was: 7280
spectrum/test_doscollection.py::TestGridDOSCollection::test_from_data[x0-weights0-info0-None] PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_from_data" was: 10280
spectrum/test_doscollection.py::TestGridDOSCollection::test_from_data[x1-weights1-info1-None] PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_from_data" was: 10280
spectrum/test_doscollection.py::TestGridDOSCollection::test_from_data[x2-weights2-None-IndexError] PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_from_data" was: 10280
spectrum/test_doscollection.py::TestGridDOSCollection::test_from_data[x3-weights3-None-IndexError] PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_from_data" was: 10280
spectrum/test_doscollection.py::TestGridDOSCollection::test_from_data[x4-weights4-None-IndexError] PASSEDGlobal seed for "test/spectrum/test_doscollection.py:test_from_data" was: 10280
spectrum/test_doscollection.py::TestGridDOSCollection::test_plot_no_resample SKIPPED
spectrum/test_dosdata.py::TestDosData::test_dosdata_init_info[None-expected0] PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_dosdata_init_info" was: 442
spectrum/test_dosdata.py::TestDosData::test_dosdata_init_info[info1-expected1] PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_dosdata_init_info" was: 442
spectrum/test_dosdata.py::TestDosData::test_dosdata_init_info[info2-expected2] PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_dosdata_init_info" was: 442
spectrum/test_dosdata.py::TestDosData::test_dosdata_init_info[notadict-TypeError] PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_dosdata_init_info" was: 442
spectrum/test_dosdata.py::TestDosData::test_dosdata_init_info[False-TypeError] PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_dosdata_init_info" was: 442
spectrum/test_dosdata.py::TestDosData::test_label_from_info[info0-] PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_label_from_info" was: 5869
spectrum/test_dosdata.py::TestDosData::test_label_from_info[info1-key1: value1] PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_label_from_info" was: 5869
spectrum/test_dosdata.py::TestDosData::test_label_from_info[info2-key1: value1; key2: value2] PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_label_from_info" was: 5869
spectrum/test_dosdata.py::TestDosData::test_label_from_info[info3-xyz] PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_label_from_info" was: 5869
spectrum/test_dosdata.py::TestDosData::test_label_from_info[info4-xyz] PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_label_from_info" was: 5869
spectrum/test_dosdata.py::TestRawDosData::test_init PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_init" was: 7468
spectrum/test_dosdata.py::TestRawDosData::test_access PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_access" was: 8103
spectrum/test_dosdata.py::TestRawDosData::test_copy PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_copy" was: 12198
spectrum/test_dosdata.py::TestRawDosData::test_equality_wrongtype[True] PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_equality_wrongtype" was: 6463
spectrum/test_dosdata.py::TestRawDosData::test_equality_wrongtype[1] PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_equality_wrongtype" was: 6463
spectrum/test_dosdata.py::TestRawDosData::test_equality_wrongtype[0.5] PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_equality_wrongtype" was: 6463
spectrum/test_dosdata.py::TestRawDosData::test_equality_wrongtype[string] PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_equality_wrongtype" was: 6463
spectrum/test_dosdata.py::TestRawDosData::test_equality[data_10-data_20-True] PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_equality" was: 12130
spectrum/test_dosdata.py::TestRawDosData::test_equality[data_11-data_21-False] PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_equality" was: 12130
spectrum/test_dosdata.py::TestRawDosData::test_equality[data_12-data_22-False] PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_equality" was: 12130
spectrum/test_dosdata.py::TestRawDosData::test_equality[data_13-data_23-False] PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_equality" was: 12130
spectrum/test_dosdata.py::TestRawDosData::test_equality[data_14-data_24-False] PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_equality" was: 12130
spectrum/test_dosdata.py::TestRawDosData::test_equality[data_15-data_25-False] PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_equality" was: 12130
spectrum/test_dosdata.py::TestRawDosData::test_addition PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_addition" was: 3267
spectrum/test_dosdata.py::TestRawDosData::test_sampling[data0-args0-result0] PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_sampling" was: 678
spectrum/test_dosdata.py::TestRawDosData::test_sampling[data1-args1-result1] PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_sampling" was: 678
spectrum/test_dosdata.py::TestRawDosData::test_sampling[data2-args2-result2] PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_sampling" was: 678
spectrum/test_dosdata.py::TestRawDosData::test_sampling[data3-args3-result3] PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_sampling" was: 678
spectrum/test_dosdata.py::TestRawDosData::test_sampling[data4-args4-result4] PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_sampling" was: 678
spectrum/test_dosdata.py::TestRawDosData::test_sampling_error PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_sampling_error" was: 5345
spectrum/test_dosdata.py::TestRawDosData::test_sample_grid PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_sample_grid" was: 6043
spectrum/test_dosdata.py::TestRawDosData::test_plot[1] SKIPPED (coul...)
spectrum/test_dosdata.py::TestRawDosData::test_plot[5] SKIPPED (coul...)
spectrum/test_dosdata.py::TestRawDosData::test_plot[None] SKIPPED (c...)
spectrum/test_dosdata.py::TestRawDosData::test_plot_deltas[1] SKIPPED
spectrum/test_dosdata.py::TestRawDosData::test_plot_deltas[5] SKIPPED
spectrum/test_dosdata.py::TestRawDosData::test_plot_deltas[None] SKIPPED
spectrum/test_dosdata.py::TestGridDosData::test_init PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_init" was: 7468
spectrum/test_dosdata.py::TestGridDosData::test_access PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_access" was: 8103
spectrum/test_dosdata.py::TestGridDosData::test_copy PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_copy" was: 12198
spectrum/test_dosdata.py::TestGridDosData::test_addition PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_addition" was: 3267
spectrum/test_dosdata.py::TestGridDosData::test_check_spacing PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_check_spacing" was: 11542
spectrum/test_dosdata.py::TestGridDosData::test_resampling_consistency PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_resampling_consistency" was: 12143
spectrum/test_dosdata.py::TestGridDosData::test_plot[1] SKIPPED (cou...)
spectrum/test_dosdata.py::TestGridDosData::test_plot[5] SKIPPED (cou...)
spectrum/test_dosdata.py::TestGridDosData::test_plot[None] SKIPPED (...)
spectrum/test_dosdata.py::TestGridDosData::test_plot_broad_dos SKIPPED
spectrum/test_dosdata.py::TestGridDosData::test_smearing_args_interpreter[inputs0-expected0] PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_smearing_args_interpreter" was: 3032
spectrum/test_dosdata.py::TestGridDosData::test_smearing_args_interpreter[inputs1-expected1] PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_smearing_args_interpreter" was: 3032
spectrum/test_dosdata.py::TestGridDosData::test_smearing_args_interpreter[inputs2-expected2] PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_smearing_args_interpreter" was: 3032
spectrum/test_dosdata.py::TestGridDosData::test_smearing_args_interpreter[inputs3-expected3] PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_smearing_args_interpreter" was: 3032
spectrum/test_dosdata.py::TestMultiDosData::test_addition PASSEDGlobal seed for "test/spectrum/test_dosdata.py:test_addition" was: 3267
standardization/test_properties.py::test_calc_properties PASSEDGlobal seed for "test/standardization/test_properties.py:test_calc_properties" was: 12319
transport/test_transport_calculator.py::test_transport_calculator Subspace eigenvalues: [-0.8  0.8]
Max deviation of T after the rotation: 6.661338147750939e-16
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_transport_calculator0
Global seed for "test/transport/test_transport_calculator.py:test_transport_calculator" was: 5148
vibrations/test_albrecht.py::test_one_state PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_one_state0
Global seed for "test/vibrations/test_albrecht.py:test_one_state" was: 2262
vibrations/test_albrecht.py::test_all_states PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_all_states0
Global seed for "test/vibrations/test_albrecht.py:test_all_states" was: 8315
vibrations/test_albrecht.py::test_multiples PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_multiples0
Global seed for "test/vibrations/test_albrecht.py:test_multiples" was: 10045
vibrations/test_albrecht.py::test_summary -------------------------------------
 excitation at 1 eV
 gamma 0.1 eV
 approximation: Albrecht B
 Mode    Frequency        Intensity
  #    meV     cm^-1      [A^4/amu]
-------------------------------------
  0    0.0       0.0         0.0
  1    0.0       0.0         0.0
  2    0.0       0.0         0.0
  3    5.2      42.0         1.8
  4    5.2      42.0         0.4
  5  545.8    4402.2        12.0
-------------------------------------
Zero-point energy: 0.278 eV
-------------------------------------
 excitation at 1 eV
 gamma 0.1 eV
 approximation: Albrecht A
 observation: {'geometry': '-Z(XX)Z'}
 Mode    Frequency        Intensity
  #    meV     cm^-1      [e^4A^4/eV^2]
-------------------------------------
(0,)    0.0       0.0       0.0
(1,)    0.0       0.0       0.0
(2,)    0.0       0.0       0.0
(3,)    5.2      42.0   24626.4
(4,)    5.2      42.0       0.0
(5,)  545.8    4402.2     718.3
(0, 0)    0.0       0.0       0.0
(0, 1)    0.0       0.0       0.0
(0, 2)    0.0       0.0       0.0
(0, 3)    5.2      42.0       0.0
(0, 4)    5.2      42.0       0.0
(0, 5)  545.8    4402.2       0.0
(1, 1)    0.0       0.0       0.0
(1, 2)    0.0       0.0       0.0
(1, 3)    5.2      42.0       0.0
(1, 4)    5.2      42.0       0.0
(1, 5)  545.8    4402.2       0.0
(2, 2)    0.0       0.0       0.0
(2, 3)    5.2      42.0       0.0
(2, 4)    5.2      42.0       0.0
(2, 5)  545.8    4402.2       0.0
(3, 3)   10.4      83.9    6683.4
(3, 4)   10.4      83.9       0.0
(3, 5)  551.0    4444.2      45.7
(4, 4)   10.4      83.9       0.0
(4, 5)  551.0    4444.2       0.0
(5, 5) 1091.6    8804.5       2.1
-------------------------------------
Zero-point energy: 0.278 eV
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_summary0
Global seed for "test/vibrations/test_albrecht.py:test_summary" was: 1982
vibrations/test_bond_polarizability_raman.py::test_bulk -------------------------------------
 Mode    Frequency        Intensity
  #    meV     cm^-1      [0.1A^4/amu]
-------------------------------------
  0    0.0       0.0        0.00
  1    0.0       0.0        0.00
  2    0.0       0.0        0.00
  3   13.8     111.7      276.83
  4   13.8     111.7      307.16
  5   38.4     310.0      932.91
-------------------------------------
-------------------------------------
 Mode    Frequency        Intensity
  #    meV     cm^-1      [0.1A^4/amu]
-------------------------------------
  0   -0.0      -0.0        0.00
  1    0.0       0.0        0.00
  2    0.0       0.0        0.00
  3   13.8     111.7      281.73
  4   13.8     111.7      302.26
  5   38.4     310.0      932.91
-------------------------------------
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_bulk1
Global seed for "test/vibrations/test_bond_polarizability_raman.py:test_bulk" was: 7647
vibrations/test_bond_polarizability_raman.py::test_bulk_kpts -------------------------------------
 Mode    Frequency        Intensity
  #    meV     cm^-1      [A^4/amu]
-------------------------------------
  0  -21.1    -170.4       73.63
  1   -3.4     -27.7       60.46
  2   15.7     126.5       24.17
  3   25.5     205.5       32.85
  4   50.7     409.1      139.51
  5   71.1     573.1      143.99
  6  -21.1    -170.4       73.63
  7   -3.4     -27.7       60.46
  8   15.7     126.5       24.17
  9   25.5     205.5       32.85
 10   50.7     409.1      139.51
 11   71.1     573.1      143.99
 12  -21.1    -170.4       73.63
 13   -3.4     -27.7       60.46
 14   15.7     126.5       24.17
 15   25.5     205.5       32.85
 16   50.7     409.1      139.51
 17   71.1     573.1      143.99
 18  -21.1    -170.4       73.63
 19   -3.4     -27.7       60.46
 20   15.7     126.5       24.17
 21   25.5     205.5       32.85
 22   50.7     409.1      139.51
 23   71.1     573.1      143.99
-------------------------------------
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_bulk_kpts0
Global seed for "test/vibrations/test_bond_polarizability_raman.py:test_bulk_kpts" was: 9307
vibrations/test_bond_polarizability_raman.py::test_c3 -------------------------------------
 Mode    Frequency        Intensity
  #    meV     cm^-1      [0.1A^4/amu]
-------------------------------------
  0    0.0       0.0        0.00
  1    0.0       0.0        2.05
  2    0.0       0.0        0.00
  3    0.0       0.0        0.00
  4    0.1       0.6        0.00
  5    0.6       4.9        2.04
  6   45.1     363.7       53.63
  7   45.1     364.1       53.67
  8  116.1     936.6      357.32
-------------------------------------
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_c30
Global seed for "test/vibrations/test_bond_polarizability_raman.py:test_c3" was: 11570
vibrations/test_combine.py::test_combine PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_combine1
Global seed for "test/vibrations/test_combine.py:test_combine" was: 9791
vibrations/test_folding.py::test_folding PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_folding0
Global seed for "test/vibrations/test_folding.py:test_folding" was: 5961
vibrations/test_franck_condon.py::test_franck_condon PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_franck_condon0
Global seed for "test/vibrations/test_franck_condon.py:test_franck_condon" was: 9300
vibrations/test_franck_condon.py::test_ch4_all PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ch4_all0
Global seed for "test/vibrations/test_franck_condon.py:test_ch4_all" was: 10916
vibrations/test_franck_condon.py::test_ch4_minfreq PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_ch4_minfreq0
Global seed for "test/vibrations/test_franck_condon.py:test_ch4_minfreq" was: 9955
vibrations/test_pickle2json.py::test_pickle2json wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.eq.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.eq.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.0x-.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.0x-.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.0x+.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.0x+.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.0y-.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.0y-.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.0y+.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.0y+.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.0z-.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.0z-.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.0z+.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.0z+.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.1x-.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.1x-.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.1x+.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.1x+.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.1y-.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.1y-.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.1y+.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.1y+.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.1z-.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.1z-.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.1z+.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.1z+.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.2x-.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.2x-.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.2x+.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.2x+.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.2y-.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.2y-.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.2y+.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.2y+.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.2z-.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.2z-.json
wrote /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib.2z+.pckl ==> /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0/vib/cache.2z+.json
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_pickle2json0
Global seed for "test/vibrations/test_pickle2json.py:test_pickle2json" was: 9319
vibrations/test_placzek.py::test_summary -------------------------------------
 excitation at 1.0 eV
 gamma 0.1 eV
 method: standard
 approximation: PlaczekAlpha
 Mode    Frequency        Intensity
  #    meV     cm^-1      [0.1A^4/amu]
-------------------------------------
  0    0.0       0.0        0.00
  1    0.0       0.0        0.00
  2    0.0       0.0        0.00
  3    5.2      42.0       11.97
  4    5.2      42.0       11.97
  5  545.8    4402.2      601.10
-------------------------------------
Zero-point energy: 0.278 eV
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_summary1
Global seed for "test/vibrations/test_placzek.py:test_summary" was: 9923
vibrations/test_placzek.py::test_names 60.10945356609163 Placzek
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_names0
Global seed for "test/vibrations/test_placzek.py:test_names" was: 8925
vibrations/test_placzek.py::test_overlap overlap 60.09786107805731 60.09788070177906 1.0000003265294537
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_overlap0
Global seed for "test/vibrations/test_placzek.py:test_overlap" was: 9250
vibrations/test_placzek.py::test_compare_placzek_implementation_intensities 60.10795134047365 Placzek
60.09736254067169 Profeta using frozenset
60.0973597802062 Profeta using overlap
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_compare_placzek_implement0
Global seed for "test/vibrations/test_placzek.py:test_compare_placzek_implementation_intensities" was: 992
vibrations/test_profeta_albrecht.py::test_compare_placzek_albrecht_intensities pri, ali 1.7679062023552439 1.7545549306031771
pri, ali 42.66811272781295 42.687373910732774
pri, ali 60.09827967960058 60.04575293874365
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_compare_placzek_albrecht_0
Global seed for "test/vibrations/test_profeta_albrecht.py:test_compare_placzek_albrecht_intensities" was: 9369
vibrations/test_vib.py::TestHarmonicVibrations::test_harmonic_vibrations PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_harmonic_vibrations0
Global seed for "test/vibrations/test_vib.py:test_harmonic_vibrations" was: 6340
vibrations/test_vib.py::TestHarmonicVibrations::test_consistency_with_vibrationsdata PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_consistency_with_vibratio0
Global seed for "test/vibrations/test_vib.py:test_consistency_with_vibrationsdata" was: 1901
vibrations/test_vib.py::TestHarmonicVibrations::test_json_manipulation PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_json_manipulation0
Global seed for "test/vibrations/test_vib.py:test_json_manipulation" was: 11796
vibrations/test_vib.py::TestHarmonicVibrations::test_vibrations_methods PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vibrations_methods0
Global seed for "test/vibrations/test_vib.py:test_vibrations_methods" was: 8799
vibrations/test_vib.py::TestHarmonicVibrations::test_vibrations_restart_dir PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vibrations_restart_dir0
Global seed for "test/vibrations/test_vib.py:test_vibrations_restart_dir" was: 1421
vibrations/test_vib.py::TestVibrationsDataStaticMethods::test_indices_from_mask[mask0-expected_indices0] PASSEDGlobal seed for "test/vibrations/test_vib.py:test_indices_from_mask" was: 7284
vibrations/test_vib.py::TestVibrationsDataStaticMethods::test_indices_from_mask[mask1-expected_indices1] PASSEDGlobal seed for "test/vibrations/test_vib.py:test_indices_from_mask" was: 7284
vibrations/test_vib.py::TestVibrationsDataStaticMethods::test_indices_from_mask[mask2-expected_indices2] PASSEDGlobal seed for "test/vibrations/test_vib.py:test_indices_from_mask" was: 7284
vibrations/test_vib.py::TestVibrationsDataStaticMethods::test_indices_from_mask[mask3-expected_indices3] PASSEDGlobal seed for "test/vibrations/test_vib.py:test_indices_from_mask" was: 7284
vibrations/test_vib.py::TestVibrationsDataStaticMethods::test_indices_from_mask[mask4-expected_indices4] PASSEDGlobal seed for "test/vibrations/test_vib.py:test_indices_from_mask" was: 7284
vibrations/test_vib.py::TestVibrationsDataStaticMethods::test_indices_from_mask[mask5-expected_indices5] PASSEDGlobal seed for "test/vibrations/test_vib.py:test_indices_from_mask" was: 7284
vibrations/test_vib.py::TestVibrationsDataStaticMethods::test_tabulate_energies PASSEDGlobal seed for "test/vibrations/test_vib.py:test_tabulate_energies" was: 6770
vibrations/test_vib.py::TestVibrationsDataStaticMethods::test_get_jmol_images[kwargs0-expected0] PASSEDGlobal seed for "test/vibrations/test_vib.py:test_get_jmol_images" was: 3679
vibrations/test_vib.py::TestVibrationsData::test_init PASSEDGlobal seed for "test/vibrations/test_vib.py:test_init" was: 8021
vibrations/test_vib.py::TestVibrationsData::test_energies_and_modes PASSEDGlobal seed for "test/vibrations/test_vib.py:test_energies_and_modes" was: 3557
vibrations/test_vib.py::TestVibrationsData::test_imaginary_energies PASSEDGlobal seed for "test/vibrations/test_vib.py:test_imaginary_energies" was: 9184
vibrations/test_vib.py::TestVibrationsData::test_zero_mass PASSEDGlobal seed for "test/vibrations/test_vib.py:test_zero_mass" was: 5330
vibrations/test_vib.py::TestVibrationsData::test_new_mass PASSEDGlobal seed for "test/vibrations/test_vib.py:test_new_mass" was: 2657
vibrations/test_vib.py::TestVibrationsData::test_fixed_atoms PASSEDGlobal seed for "test/vibrations/test_vib.py:test_fixed_atoms" was: 11152
vibrations/test_vib.py::TestVibrationsData::test_dos PASSEDGlobal seed for "test/vibrations/test_vib.py:test_dos" was: 11356
vibrations/test_vib.py::TestVibrationsData::test_pdos PASSEDGlobal seed for "test/vibrations/test_vib.py:test_pdos" was: 5287
vibrations/test_vib.py::TestVibrationsData::test_todict PASSEDGlobal seed for "test/vibrations/test_vib.py:test_todict" was: 9228
vibrations/test_vib.py::TestVibrationsData::test_dict_roundtrip PASSEDGlobal seed for "test/vibrations/test_vib.py:test_dict_roundtrip" was: 963
vibrations/test_vib.py::TestVibrationsData::test_dict_indices[indices0-expected_mask0] PASSEDGlobal seed for "test/vibrations/test_vib.py:test_dict_indices" was: 10790
vibrations/test_vib.py::TestVibrationsData::test_dict_indices[None-expected_mask1] PASSEDGlobal seed for "test/vibrations/test_vib.py:test_dict_indices" was: 10790
vibrations/test_vib.py::TestVibrationsData::test_jmol_roundtrip PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_jmol_roundtrip0
Global seed for "test/vibrations/test_vib.py:test_jmol_roundtrip" was: 4334
vibrations/test_vib.py::TestVibrationsData::test_bad_hessian PASSEDGlobal seed for "test/vibrations/test_vib.py:test_bad_hessian" was: 399
vibrations/test_vib.py::TestVibrationsData::test_bad_hessian2d PASSEDGlobal seed for "test/vibrations/test_vib.py:test_bad_hessian2d" was: 2275
vibrations/test_vib.py::TestSlab::test_vibration_on_surface ---------------------
  #    meV     cm^-1
---------------------
  0   29.9i    241.3i
  1    0.0       0.0
  2    0.0       0.0
  3    0.0       0.0
  4    0.0       0.0
  5   29.9     241.3
---------------------
Zero-point energy: 0.015 eV
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vibration_on_surface0
Global seed for "test/vibrations/test_vib.py:test_vibration_on_surface" was: 16
vibrations/test_vibrations_example.py::test_vibrations_example       Step     Time          Energy         fmax
BFGS:    0 09:21:04        0.440344        3.2518
BFGS:    1 09:21:04        0.264361        0.3475
BFGS:    2 09:21:04        0.262860        0.0805
BFGS:    3 09:21:04        0.262777        0.0015
PASSEDTestdir: /tmp/pytest-of-mockbuild/pytest-0/test_vibrations_example0
Global seed for "test/vibrations/test_vibrations_example.py:test_vibrations_example" was: 10799
=============================== warnings summary ===============================
test_imports.py: 441 warnings
calculator/castep/test_castep_interface.py: 1 warning
  /usr/lib/python3.11/site-packages/_pytest/python.py:192: PytestRemovedIn8Warning: Passing None has been deprecated.
  See https://docs.pytest.org/en/latest/how-to/capture-warnings.html#additional-use-cases-of-warnings-in-tests for alternatives in common use cases.
    result = testfunction(**testargs)
db/test_db_web.py::test_add_columns
  /builddir/build/BUILD/ase-3.22.1/ase/test/db/test_db_web.py:10: DeprecationWarning: pathlib.Path.__enter__() is deprecated and scheduled for removal in Python 3.13; Path objects as a context manager is a no-op
    with tmp_path_factory.mktemp('dbtest') as dbtest:
-- Docs: https://docs.pytest.org/en/stable/how-to/capture-warnings.html
==== 1695 passed, 383 skipped, 2 xfailed, 443 warnings in 165.52s (0:02:45) ====
+ cd -
/builddir/build/BUILD
+ RPM_EC=0
++ jobs -p
+ exit 0
Processing files: python3-ase-3.22.1-4.fc38.noarch
Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.gfQz2m
+ umask 022
+ cd /builddir/build/BUILD
+ cd ase-3.22.1
+ DOCDIR=/builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/share/doc/python3-ase
+ export LC_ALL=C
+ LC_ALL=C
+ export DOCDIR
+ /usr/bin/mkdir -p /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/share/doc/python3-ase
+ cp -pr COPYING COPYING.LESSER /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/share/doc/python3-ase
+ cp -pr LICENSE /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/share/doc/python3-ase
+ cp -pr README.rst /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/share/doc/python3-ase
+ RPM_EC=0
++ jobs -p
+ exit 0
Provides: application() application(ase-gui.desktop) python-ase = 3.22.1-4.fc38 python3-ase = 3.22.1-4.fc38 python3.11-ase = 3.22.1-4.fc38 python3.11dist(ase) = 3.22.1 python3dist(ase) = 3.22.1
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PartialHardlinkSets) <= 4.0.4-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: /usr/bin/python3 python(abi) = 3.11 python3.11dist(matplotlib) >= 3.1 python3.11dist(numpy) >= 1.15 python3.11dist(scipy) >= 1.1
Obsoletes: python-ase < 3.22.1-4.fc38 python2-ase < 3.16.2-7
Checking for unpackaged file(s): /usr/lib/rpm/check-files /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64
Wrote: /builddir/build/RPMS/python3-ase-3.22.1-4.fc38.noarch.rpm
Executing(%clean): /bin/sh -e /var/tmp/rpm-tmp.3wDzNB
+ umask 022
+ cd /builddir/build/BUILD
+ cd ase-3.22.1
+ /usr/bin/rm -rf /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(rmbuild): /bin/sh -e /var/tmp/rpm-tmp.uHAjqS
+ umask 022
+ cd /builddir/build/BUILD
+ rm -rf ase-3.22.1 ase-3.22.1.gemspec
+ RPM_EC=0
++ jobs -p
+ exit 0
Child return code was: 0