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;\\007"', 'PS1': ' \\s-\\v\\$ ', 'LANG': 'C.UTF-8'}shell=Falselogger=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;\\007"', '--setenv=PS1= \\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;\\007"', 'PS1': ' \\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;\\007"', 'PS1': ' \\s-\\v\\$ ', 'LANG': 'C.UTF-8'}shell=Falselogger=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;\\007"', '--setenv=PS1= \\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;\\007"', 'PS1': ' \\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 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. 342 translated messages. 357 translated messages, 1 fuzzy translation, 3 untranslated messages. 342 translated messages. 342 translated messages. 345 translated messages, 1 fuzzy translation, 6 untranslated messages. 326 translated messages, 1 untranslated message. 359 translated messages, 2 untranslated messages. 321 translated messages, 17 fuzzy translations, 32 untranslated messages. 342 translated messages. 314 translated messages, 24 fuzzy translations, 32 untranslated messages. 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 byte-compiling /builddir/build/BUILDROOT/python-ase-3.22.1-4.fc38.x86_64/usr/lib/python3.11/site-packages/ase/test/cell/test_niggli_op.py to test_niggli_op.cpython-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_niggli.py to test_niggli.cpython-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_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 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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 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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) PASSEDGlobal seed for "test/test_cluster.py:test_cuboctahedron" was: 6966 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: 'H2O' 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]], [[ 0, -1, 0], [ 1, 0, 0], [ 0, 0, 1]], [[ 0, -1, 0], [-1, 0, 0], [ 0, 0, -1]], [[ 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 :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 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 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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.]] [[ 0. -1. 2.]] Cell([0.0, 2.0, 4.0]) PASSEDGlobal seed for "test/atoms/test_center_nonperiodic.py:test_center_nonperiodic" was: 3114 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 Driver: send 72 bytes of Driver: send 4 bytes of Driver: send 1320 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'HAVEDATA' Driver: sendrecv_force Driver: sendmsg 'GETFORCE' Driver: recvmsg 'FORCEREADY' Driver: recv 8 bytes of Driver: recv 4 bytes of Driver: recv 1320 bytes of Driver: recv 72 bytes of Driver: recv 4 bytes of Driver: recv 1 bytes of 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 Driver: send 4 bytes of Driver: send 1 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'READY' Driver: sendposdata Driver: sendmsg 'POSDATA' Driver: send 72 bytes of Driver: send 72 bytes of Driver: send 4 bytes of Driver: send 1320 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'HAVEDATA' Driver: sendrecv_force Driver: sendmsg 'GETFORCE' Driver: recvmsg 'FORCEREADY' Driver: recv 8 bytes of Driver: recv 4 bytes of Driver: recv 1320 bytes of Driver: recv 72 bytes of Driver: recv 4 bytes of Driver: recv 1 bytes of 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 Driver: send 4 bytes of Driver: send 1 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'READY' Driver: sendposdata Driver: sendmsg 'POSDATA' Driver: send 72 bytes of Driver: send 72 bytes of Driver: send 4 bytes of Driver: send 1320 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'HAVEDATA' Driver: sendrecv_force Driver: sendmsg 'GETFORCE' Driver: recvmsg 'FORCEREADY' Driver: recv 8 bytes of Driver: recv 4 bytes of Driver: recv 1320 bytes of Driver: recv 72 bytes of Driver: recv 4 bytes of Driver: recv 1 bytes of 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 Driver: send 4 bytes of Driver: send 1 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'READY' Driver: sendposdata Driver: sendmsg 'POSDATA' Driver: send 72 bytes of Driver: send 72 bytes of Driver: send 4 bytes of Driver: send 1320 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'HAVEDATA' Driver: sendrecv_force Driver: sendmsg 'GETFORCE' Driver: recvmsg 'FORCEREADY' Driver: recv 8 bytes of Driver: recv 4 bytes of Driver: recv 1320 bytes of Driver: recv 72 bytes of Driver: recv 4 bytes of Driver: recv 1 bytes of 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 Driver: send 4 bytes of Driver: send 1 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'READY' Driver: sendposdata Driver: sendmsg 'POSDATA' Driver: send 72 bytes of Driver: send 72 bytes of Driver: send 4 bytes of Driver: send 1320 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'HAVEDATA' Driver: sendrecv_force Driver: sendmsg 'GETFORCE' Driver: recvmsg 'FORCEREADY' Driver: recv 8 bytes of Driver: recv 4 bytes of Driver: recv 1320 bytes of Driver: recv 72 bytes of Driver: recv 4 bytes of Driver: recv 1 bytes of 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 Driver: send 4 bytes of Driver: send 1 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'READY' Driver: sendposdata Driver: sendmsg 'POSDATA' Driver: send 72 bytes of Driver: send 72 bytes of Driver: send 4 bytes of Driver: send 1320 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'HAVEDATA' Driver: sendrecv_force Driver: sendmsg 'GETFORCE' Driver: recvmsg 'FORCEREADY' Driver: recv 8 bytes of Driver: recv 4 bytes of Driver: recv 1320 bytes of Driver: recv 72 bytes of Driver: recv 4 bytes of Driver: recv 1 bytes of 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 Driver: send 4 bytes of Driver: send 1 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'READY' Driver: sendposdata Driver: sendmsg 'POSDATA' Driver: send 72 bytes of Driver: send 72 bytes of Driver: send 4 bytes of Driver: send 1320 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'HAVEDATA' Driver: sendrecv_force Driver: sendmsg 'GETFORCE' Driver: recvmsg 'FORCEREADY' Driver: recv 8 bytes of Driver: recv 4 bytes of Driver: recv 1320 bytes of Driver: recv 72 bytes of Driver: recv 4 bytes of Driver: recv 1 bytes of 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 Driver: send 4 bytes of Driver: send 1 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'READY' Driver: sendposdata Driver: sendmsg 'POSDATA' Driver: send 72 bytes of Driver: send 72 bytes of Driver: send 4 bytes of Driver: send 1320 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'HAVEDATA' Driver: sendrecv_force Driver: sendmsg 'GETFORCE' Driver: recvmsg 'FORCEREADY' Driver: recv 8 bytes of Driver: recv 4 bytes of Driver: recv 1320 bytes of Driver: recv 72 bytes of Driver: recv 4 bytes of Driver: recv 1 bytes of 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 Driver: send 4 bytes of Driver: send 1 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'READY' Driver: sendposdata Driver: sendmsg 'POSDATA' Driver: send 72 bytes of Driver: send 72 bytes of Driver: send 4 bytes of Driver: send 1320 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'HAVEDATA' Driver: sendrecv_force Driver: sendmsg 'GETFORCE' Driver: recvmsg 'FORCEREADY' Driver: recv 8 bytes of Driver: recv 4 bytes of Driver: recv 1320 bytes of Driver: recv 72 bytes of Driver: recv 4 bytes of Driver: recv 1 bytes of 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 Driver: send 4 bytes of Driver: send 1 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'READY' Driver: sendposdata Driver: sendmsg 'POSDATA' Driver: send 72 bytes of Driver: send 72 bytes of Driver: send 4 bytes of Driver: send 1320 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'HAVEDATA' Driver: sendrecv_force Driver: sendmsg 'GETFORCE' Driver: recvmsg 'FORCEREADY' Driver: recv 8 bytes of Driver: recv 4 bytes of Driver: recv 1320 bytes of Driver: recv 72 bytes of Driver: recv 4 bytes of Driver: recv 1 bytes of 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 Driver: send 72 bytes of Driver: send 4 bytes of Driver: send 1320 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'HAVEDATA' Driver: sendrecv_force Driver: sendmsg 'GETFORCE' Driver: recvmsg 'FORCEREADY' Driver: recv 8 bytes of Driver: recv 4 bytes of Driver: recv 1320 bytes of Driver: recv 72 bytes of Driver: recv 4 bytes of Driver: recv 1 bytes of 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 Driver: send 4 bytes of Driver: send 1 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'READY' Driver: sendposdata Driver: sendmsg 'POSDATA' Driver: send 72 bytes of Driver: send 72 bytes of Driver: send 4 bytes of Driver: send 1320 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'HAVEDATA' Driver: sendrecv_force Driver: sendmsg 'GETFORCE' Driver: recvmsg 'FORCEREADY' Driver: recv 8 bytes of Driver: recv 4 bytes of Driver: recv 1320 bytes of Driver: recv 72 bytes of Driver: recv 4 bytes of Driver: recv 1 bytes of 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 Driver: send 4 bytes of Driver: send 1 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'READY' Driver: sendposdata Driver: sendmsg 'POSDATA' Driver: send 72 bytes of Driver: send 72 bytes of Driver: send 4 bytes of Driver: send 1320 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'HAVEDATA' Driver: sendrecv_force Driver: sendmsg 'GETFORCE' Driver: recvmsg 'FORCEREADY' Driver: recv 8 bytes of Driver: recv 4 bytes of Driver: recv 1320 bytes of Driver: recv 72 bytes of Driver: recv 4 bytes of Driver: recv 1 bytes of 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 Driver: send 4 bytes of Driver: send 1 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'READY' Driver: sendposdata Driver: sendmsg 'POSDATA' Driver: send 72 bytes of Driver: send 72 bytes of Driver: send 4 bytes of Driver: send 1320 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'HAVEDATA' Driver: sendrecv_force Driver: sendmsg 'GETFORCE' Driver: recvmsg 'FORCEREADY' Driver: recv 8 bytes of Driver: recv 4 bytes of Driver: recv 1320 bytes of Driver: recv 72 bytes of Driver: recv 4 bytes of Driver: recv 1 bytes of 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 Driver: send 4 bytes of Driver: send 1 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'READY' Driver: sendposdata Driver: sendmsg 'POSDATA' Driver: send 72 bytes of Driver: send 72 bytes of Driver: send 4 bytes of Driver: send 1320 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'HAVEDATA' Driver: sendrecv_force Driver: sendmsg 'GETFORCE' Driver: recvmsg 'FORCEREADY' Driver: recv 8 bytes of Driver: recv 4 bytes of Driver: recv 1320 bytes of Driver: recv 72 bytes of Driver: recv 4 bytes of Driver: recv 1 bytes of 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 Driver: send 4 bytes of Driver: send 1 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'READY' Driver: sendposdata Driver: sendmsg 'POSDATA' Driver: send 72 bytes of Driver: send 72 bytes of Driver: send 4 bytes of Driver: send 1320 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'HAVEDATA' Driver: sendrecv_force Driver: sendmsg 'GETFORCE' Driver: recvmsg 'FORCEREADY' Driver: recv 8 bytes of Driver: recv 4 bytes of Driver: recv 1320 bytes of Driver: recv 72 bytes of Driver: recv 4 bytes of Driver: recv 1 bytes of 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 Driver: send 4 bytes of Driver: send 1 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'READY' Driver: sendposdata Driver: sendmsg 'POSDATA' Driver: send 72 bytes of Driver: send 72 bytes of Driver: send 4 bytes of Driver: send 1320 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'HAVEDATA' Driver: sendrecv_force Driver: sendmsg 'GETFORCE' Driver: recvmsg 'FORCEREADY' Driver: recv 8 bytes of Driver: recv 4 bytes of Driver: recv 1320 bytes of Driver: recv 72 bytes of Driver: recv 4 bytes of Driver: recv 1 bytes of 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 Driver: send 4 bytes of Driver: send 1 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'READY' Driver: sendposdata Driver: sendmsg 'POSDATA' Driver: send 72 bytes of Driver: send 72 bytes of Driver: send 4 bytes of Driver: send 1320 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'HAVEDATA' Driver: sendrecv_force Driver: sendmsg 'GETFORCE' Driver: recvmsg 'FORCEREADY' Driver: recv 8 bytes of Driver: recv 4 bytes of Driver: recv 1320 bytes of Driver: recv 72 bytes of Driver: recv 4 bytes of Driver: recv 1 bytes of 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 Driver: send 4 bytes of Driver: send 1 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'READY' Driver: sendposdata Driver: sendmsg 'POSDATA' Driver: send 72 bytes of Driver: send 72 bytes of Driver: send 4 bytes of Driver: send 1320 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'HAVEDATA' Driver: sendrecv_force Driver: sendmsg 'GETFORCE' Driver: recvmsg 'FORCEREADY' Driver: recv 8 bytes of Driver: recv 4 bytes of Driver: recv 1320 bytes of Driver: recv 72 bytes of Driver: recv 4 bytes of Driver: recv 1 bytes of 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 Driver: send 4 bytes of Driver: send 1 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'READY' Driver: sendposdata Driver: sendmsg 'POSDATA' Driver: send 72 bytes of Driver: send 72 bytes of Driver: send 4 bytes of Driver: send 1320 bytes of Driver: status Driver: sendmsg 'STATUS' Driver: recvmsg 'HAVEDATA' Driver: sendrecv_force Driver: sendmsg 'GETFORCE' Driver: recvmsg 'FORCEREADY' Driver: recv 8 bytes of Driver: recv 4 bytes of Driver: recv 1320 bytes of Driver: recv 72 bytes of Driver: recv 4 bytes of Driver: recv 1 bytes of 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 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"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 [[-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 ] 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 [[-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 ] 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: 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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 :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 :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]), ]) {'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]), ]} {'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]), ]} 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]]) [[[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: 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) [[[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: 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]]) [[[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: 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(...)) [[[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: 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(...)) [[[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: 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(...)) [[[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: 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 [[-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]] [[ 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. 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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 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 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 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 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 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 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 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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 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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 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"test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114 spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_method[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[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[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[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[2-None] PASSEDGlobal seed for "test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114 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"test/spacegroup/test_spacegroup_utils.py:test_get_basis_wrong_method" was: 5114 spacegroup/test_spacegroup_utils.py::test_get_basis_wrong_method[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[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[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[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[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[2] 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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 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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