2026-06-15T04:52:30,617 Created temporary directory: /tmp/pip-ephem-wheel-cache-ej10wy8i 2026-06-15T04:52:30,619 Created temporary directory: /tmp/pip-build-tracker-540bv1bx 2026-06-15T04:52:30,620 Initialized build tracking at /tmp/pip-build-tracker-540bv1bx 2026-06-15T04:52:30,620 Created build tracker: /tmp/pip-build-tracker-540bv1bx 2026-06-15T04:52:30,621 Entered build tracker: /tmp/pip-build-tracker-540bv1bx 2026-06-15T04:52:30,622 Created temporary directory: /tmp/pip-wheel-ggojhohv 2026-06-15T04:52:30,625 DEPRECATION: --no-binary currently disables reading from the cache of locally built wheels. In the future --no-binary will not influence the wheel cache. pip 23.1 will enforce this behaviour change. A possible replacement is to use the --no-cache-dir option. You can use the flag --use-feature=no-binary-enable-wheel-cache to test the upcoming behaviour. Discussion can be found at https://github.com/pypa/pip/issues/11453 2026-06-15T04:52:30,627 Created temporary directory: /tmp/pip-ephem-wheel-cache-gjehp0jq 2026-06-15T04:52:30,649 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2026-06-15T04:52:30,653 2 location(s) to search for versions of mlatom: 2026-06-15T04:52:30,653 * https://pypi.org/simple/mlatom/ 2026-06-15T04:52:30,653 * https://www.piwheels.org/simple/mlatom/ 2026-06-15T04:52:30,654 Fetching project page and analyzing links: https://pypi.org/simple/mlatom/ 2026-06-15T04:52:30,654 Getting page https://pypi.org/simple/mlatom/ 2026-06-15T04:52:30,656 Found index url https://pypi.org/simple 2026-06-15T04:52:30,907 Fetched page https://pypi.org/simple/mlatom/ as application/vnd.pypi.simple.v1+json 2026-06-15T04:52:30,928 Found link https://files.pythonhosted.org/packages/5b/e9/8d9312076e57d185dd6aca0554dcdf867181dec45166b7e952ccf7f663a1/MLatom-1.2.1.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.6), version: 1.2.1 2026-06-15T04:52:30,929 Found link https://files.pythonhosted.org/packages/3f/42/d6eded4f6ed29db7b48b371876692b80c05e2479f5437decef2ccf97037c/MLatom-1.2.2.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.7), version: 1.2.2 2026-06-15T04:52:30,930 Found link https://files.pythonhosted.org/packages/bb/d5/dd92e9829debcb02f50abfbd806b5f7882dc72a82d675ac5cd9b570833c8/MLatom-1.2.3.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.7), version: 1.2.3 2026-06-15T04:52:30,931 Skipping link: No binaries permitted for mlatom: https://files.pythonhosted.org/packages/3c/1a/c607a0eef3db8ca171fff2ecc79d69825926d958d7078731556dfcf7d737/MLatom-2.0.0-py3-none-any.whl (from https://pypi.org/simple/mlatom/) (requires-python:>=3.7) 2026-06-15T04:52:30,932 Found link https://files.pythonhosted.org/packages/32/a5/4295b7c42d3826ecde0e38d64d1098bf3be284f7ce407d3e0eb0f083c6e8/MLatom-2.0.0.tar.gz (from https://pypi.org/simple/mlatom/) 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2026-06-15T04:52:30,939 Found link https://files.pythonhosted.org/packages/67/d8/75b095e781789f1e3bb9cb9fa0cdf211f09f5ef717b473cc8e79ad75095f/MLatom-2.0.3.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.7), version: 2.0.3 2026-06-15T04:52:30,940 Skipping link: No binaries permitted for mlatom: https://files.pythonhosted.org/packages/cf/46/13b88b729912395303db6b893624be4e5d2e957747cfb3523b6dde7c54f0/MLatom-2.0.4-py3-none-any.whl (from https://pypi.org/simple/mlatom/) (requires-python:>=3.7) 2026-06-15T04:52:30,940 Found link https://files.pythonhosted.org/packages/3e/93/7077d17483c42137375d0da6b431eeac7ea661ac3b450659f6fb5ba0376c/MLatom-2.0.4.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.7), version: 2.0.4 2026-06-15T04:52:30,941 Skipping link: No binaries permitted for mlatom: https://files.pythonhosted.org/packages/c2/ac/a1ed7f0cca44f0934549797da8f3dbc14ac9a5f79aa86a10b28d02afcf16/MLatom-2.0.5-py3-none-any.whl (from 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2026-06-15T04:52:30,972 Found link https://files.pythonhosted.org/packages/a5/b3/380f09149ff02ebbe7110fb61f89bb55fecb2b4a9c15c88f3c8b7aab19d6/mlatom-3.6.0.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.8), version: 3.6.0 2026-06-15T04:52:30,973 Skipping link: No binaries permitted for mlatom: https://files.pythonhosted.org/packages/9b/6b/0805f8acffd174677f9706ad5f5649f5d4f8525051b74e2deb4121e56bcc/mlatom-3.7.0-py3-none-any.whl (from https://pypi.org/simple/mlatom/) (requires-python:>=3.8) 2026-06-15T04:52:30,974 Found link https://files.pythonhosted.org/packages/0d/1b/f5ee3dfe159302b184a672578e8391bd3f992aacbd941d96f5a09802ad45/mlatom-3.7.0.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.8), version: 3.7.0 2026-06-15T04:52:30,974 Skipping link: No binaries permitted for mlatom: https://files.pythonhosted.org/packages/74/63/62a3eb0913eb161c9f2ac6041fae7492099e5ef22667e2602f6b5fe2cb7d/mlatom-3.7.1-py3-none-any.whl (from 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https://archive1.piwheels.org/simple/mlatom/MLatom-2.0.1-py3-none-any.whl#sha256=44c55472a4a43926fcf2093b24d9ac62d431bf6e9e2b61183e362661d834091d (from https://www.piwheels.org/simple/mlatom/) (requires-python:>=3.7) 2026-06-15T04:52:31,340 Skipping link: No binaries permitted for mlatom: https://archive1.piwheels.org/simple/mlatom/MLatom-2.0.0-py3-none-any.whl#sha256=4976033808e8a1dd7eb391e2a42e99a34645d5f97787815b8347ea695a272a65 (from https://www.piwheels.org/simple/mlatom/) (requires-python:>=3.7) 2026-06-15T04:52:31,340 Skipping link: No binaries permitted for mlatom: https://archive1.piwheels.org/simple/mlatom/MLatom-1.2.3-py3-none-any.whl#sha256=eaa7de3a8735c8da9eaf2ba08d186947281b7a117954c84a447b7c7b5882d774 (from https://www.piwheels.org/simple/mlatom/) (requires-python:>=3.7) 2026-06-15T04:52:31,341 Skipping link: No binaries permitted for mlatom: https://archive1.piwheels.org/simple/mlatom/MLatom-1.2.2-py3-none-any.whl#sha256=6d354d368a5139ad83458612f96b7f7d6e496bb6264fdd93845b8c8f992c6ea0 (from https://www.piwheels.org/simple/mlatom/) (requires-python:>=3.7) 2026-06-15T04:52:31,341 Skipping link: No binaries permitted for mlatom: https://archive1.piwheels.org/simple/mlatom/MLatom-1.2.1-py3-none-any.whl#sha256=180c9acf5fd60b2cd4bce36140bdd8ca8b11022d147b1ef56efaea2479418480 (from https://www.piwheels.org/simple/mlatom/) (requires-python:>=3.6) 2026-06-15T04:52:31,342 Skipping link: not a file: https://www.piwheels.org/simple/mlatom/ 2026-06-15T04:52:31,343 Skipping link: not a file: https://pypi.org/simple/mlatom/ 2026-06-15T04:52:31,368 Given no hashes to check 1 links for project 'mlatom': discarding no candidates 2026-06-15T04:52:31,386 Collecting mlatom==3.23.0 2026-06-15T04:52:31,388 Created temporary directory: /tmp/pip-unpack-rpbtmh2j 2026-06-15T04:52:31,710 Downloading mlatom-3.23.0.tar.gz (61.6 MB) 2026-06-15T04:52:44,584 Added mlatom==3.23.0 from https://files.pythonhosted.org/packages/18/0b/489b4251318207c1f88c2ebb555853cd2720afda1b1c9b9a2f4c020af0ca/mlatom-3.23.0.tar.gz to build tracker '/tmp/pip-build-tracker-540bv1bx' 2026-06-15T04:52:44,586 Running setup.py (path:/tmp/pip-wheel-ggojhohv/mlatom_8e18c132ab5d4d4e9c0f877871b7dc91/setup.py) egg_info for package mlatom 2026-06-15T04:52:44,587 Created temporary directory: /tmp/pip-pip-egg-info-ujhhrxkx 2026-06-15T04:52:44,587 Preparing metadata (setup.py): started 2026-06-15T04:52:44,589 Running command python setup.py egg_info 2026-06-15T04:52:45,505 running egg_info 2026-06-15T04:52:45,531 creating /tmp/pip-pip-egg-info-ujhhrxkx/mlatom.egg-info 2026-06-15T04:52:45,532 writing /tmp/pip-pip-egg-info-ujhhrxkx/mlatom.egg-info/PKG-INFO 2026-06-15T04:52:45,536 writing dependency_links to /tmp/pip-pip-egg-info-ujhhrxkx/mlatom.egg-info/dependency_links.txt 2026-06-15T04:52:45,538 writing entry points to /tmp/pip-pip-egg-info-ujhhrxkx/mlatom.egg-info/entry_points.txt 2026-06-15T04:52:45,539 writing requirements to /tmp/pip-pip-egg-info-ujhhrxkx/mlatom.egg-info/requires.txt 2026-06-15T04:52:45,541 writing top-level names to /tmp/pip-pip-egg-info-ujhhrxkx/mlatom.egg-info/top_level.txt 2026-06-15T04:52:45,542 writing manifest file '/tmp/pip-pip-egg-info-ujhhrxkx/mlatom.egg-info/SOURCES.txt' 2026-06-15T04:52:45,720 reading manifest file '/tmp/pip-pip-egg-info-ujhhrxkx/mlatom.egg-info/SOURCES.txt' 2026-06-15T04:52:45,722 adding license file 'LICENSE.txt' 2026-06-15T04:52:45,729 writing manifest file '/tmp/pip-pip-egg-info-ujhhrxkx/mlatom.egg-info/SOURCES.txt' 2026-06-15T04:52:45,835 Preparing metadata (setup.py): finished with status 'done' 2026-06-15T04:52:45,840 Source in /tmp/pip-wheel-ggojhohv/mlatom_8e18c132ab5d4d4e9c0f877871b7dc91 has version 3.23.0, which satisfies requirement mlatom==3.23.0 from https://files.pythonhosted.org/packages/18/0b/489b4251318207c1f88c2ebb555853cd2720afda1b1c9b9a2f4c020af0ca/mlatom-3.23.0.tar.gz 2026-06-15T04:52:45,840 Removed mlatom==3.23.0 from https://files.pythonhosted.org/packages/18/0b/489b4251318207c1f88c2ebb555853cd2720afda1b1c9b9a2f4c020af0ca/mlatom-3.23.0.tar.gz from build tracker '/tmp/pip-build-tracker-540bv1bx' 2026-06-15T04:52:45,847 Created temporary directory: /tmp/pip-unpack-w6q9pgk4 2026-06-15T04:52:45,847 Building wheels for collected packages: mlatom 2026-06-15T04:52:45,852 Created temporary directory: /tmp/pip-wheel-qpjdxkrx 2026-06-15T04:52:45,852 Building wheel for mlatom (setup.py): started 2026-06-15T04:52:45,853 Destination directory: /tmp/pip-wheel-qpjdxkrx 2026-06-15T04:52:45,854 Running command python setup.py bdist_wheel 2026-06-15T04:52:46,705 running bdist_wheel 2026-06-15T04:52:46,835 running build 2026-06-15T04:52:46,836 running build_py 2026-06-15T04:52:46,867 creating build/lib/mlatom 2026-06-15T04:52:46,869 copying src/mlatom/EEEDDDD_descriptor.py -> build/lib/mlatom 2026-06-15T04:52:46,871 copying src/mlatom/header.py -> build/lib/mlatom 2026-06-15T04:52:46,874 copying src/mlatom/stopper.py -> build/lib/mlatom 2026-06-15T04:52:46,876 copying src/mlatom/MLTPA.py -> build/lib/mlatom 2026-06-15T04:52:46,878 copying src/mlatom/namd.py -> build/lib/mlatom 2026-06-15T04:52:46,882 copying src/mlatom/dens.py -> build/lib/mlatom 2026-06-15T04:52:46,885 copying src/mlatom/md_parallel.py -> build/lib/mlatom 2026-06-15T04:52:46,887 copying src/mlatom/data.py -> build/lib/mlatom 2026-06-15T04:52:46,893 copying src/mlatom/stats.py -> build/lib/mlatom 2026-06-15T04:52:46,895 copying src/mlatom/decorators.py -> build/lib/mlatom 2026-06-15T04:52:46,897 copying src/mlatom/kreg_api.py -> build/lib/mlatom 2026-06-15T04:52:46,899 copying src/mlatom/MLatom.py -> build/lib/mlatom 2026-06-15T04:52:46,902 copying src/mlatom/al.py -> build/lib/mlatom 2026-06-15T04:52:46,905 copying src/mlatom/_version.py -> build/lib/mlatom 2026-06-15T04:52:46,907 copying src/mlatom/initial_conditions.py -> build/lib/mlatom 2026-06-15T04:52:46,910 copying src/mlatom/gen_ts_methods.py -> build/lib/mlatom 2026-06-15T04:52:46,912 copying src/mlatom/omnip1_nn.py -> build/lib/mlatom 2026-06-15T04:52:46,914 copying src/mlatom/doc.py -> build/lib/mlatom 2026-06-15T04:52:46,918 copying src/mlatom/MLtasks.py -> build/lib/mlatom 2026-06-15T04:52:46,921 copying src/mlatom/composite_methods.py -> build/lib/mlatom 2026-06-15T04:52:46,923 copying src/mlatom/model_cls.py -> build/lib/mlatom 2026-06-15T04:52:46,927 copying src/mlatom/ML_NEA.py -> build/lib/mlatom 2026-06-15T04:52:46,933 copying src/mlatom/args_class.py -> build/lib/mlatom 2026-06-15T04:52:46,936 copying src/mlatom/_version_static.py -> build/lib/mlatom 2026-06-15T04:52:46,937 copying src/mlatom/mlatom_gui.py -> build/lib/mlatom 2026-06-15T04:52:46,941 copying src/mlatom/log.py -> build/lib/mlatom 2026-06-15T04:52:46,943 copying src/mlatom/plot.py -> build/lib/mlatom 2026-06-15T04:52:46,945 copying src/mlatom/ccsdtstarcbs.py -> build/lib/mlatom 2026-06-15T04:52:46,947 copying src/mlatom/aiqm2.py -> build/lib/mlatom 2026-06-15T04:52:46,949 copying src/mlatom/al_utils.py -> build/lib/mlatom 2026-06-15T04:52:46,954 copying src/mlatom/GICnet.py -> build/lib/mlatom 2026-06-15T04:52:46,957 copying src/mlatom/functionsGICnet.py -> build/lib/mlatom 2026-06-15T04:52:46,960 copying src/mlatom/interface_MLatomF.py -> build/lib/mlatom 2026-06-15T04:52:46,962 copying src/mlatom/krr_julia.py -> build/lib/mlatom 2026-06-15T04:52:46,964 copying src/mlatom/spectra.py -> build/lib/mlatom 2026-06-15T04:52:46,967 copying src/mlatom/__init__.py -> build/lib/mlatom 2026-06-15T04:52:46,969 copying src/mlatom/ciopt.py -> build/lib/mlatom 2026-06-15T04:52:46,971 copying src/mlatom/md2vibr.py -> build/lib/mlatom 2026-06-15T04:52:46,973 copying src/mlatom/conversions.py -> build/lib/mlatom 2026-06-15T04:52:46,975 copying src/mlatom/EEEDDDD_nn.py -> build/lib/mlatom 2026-06-15T04:52:46,977 copying src/mlatom/md.py -> build/lib/mlatom 2026-06-15T04:52:46,979 copying src/mlatom/EEEDDDD.py -> build/lib/mlatom 2026-06-15T04:52:46,982 copying src/mlatom/omnip1.py -> build/lib/mlatom 2026-06-15T04:52:46,984 copying src/mlatom/aiqm1.py -> build/lib/mlatom 2026-06-15T04:52:46,986 copying src/mlatom/utils.py -> build/lib/mlatom 2026-06-15T04:52:46,989 copying src/mlatom/constants.py -> build/lib/mlatom 2026-06-15T04:52:46,990 copying src/mlatom/thermostat.py -> build/lib/mlatom 2026-06-15T04:52:46,993 copying src/mlatom/models.py -> build/lib/mlatom 2026-06-15T04:52:46,995 copying src/mlatom/simulations.py -> build/lib/mlatom 2026-06-15T04:52:46,998 copying src/mlatom/irc.py -> build/lib/mlatom 2026-06-15T04:52:47,001 copying src/mlatom/gap_md.py -> build/lib/mlatom 2026-06-15T04:52:47,004 copying src/mlatom/_update_check.py -> build/lib/mlatom 2026-06-15T04:52:47,006 copying src/mlatom/md_cmd.py -> build/lib/mlatom 2026-06-15T04:52:47,008 copying src/mlatom/xyz.py -> build/lib/mlatom 2026-06-15T04:52:47,010 copying src/mlatom/shell_cmd.py -> build/lib/mlatom 2026-06-15T04:52:47,012 copying src/mlatom/md2vibr_cmd.py -> build/lib/mlatom 2026-06-15T04:52:47,015 copying src/mlatom/sliceData.py -> build/lib/mlatom 2026-06-15T04:52:47,018 creating build/lib/mlatom/mltpa 2026-06-15T04:52:47,019 copying src/mlatom/mltpa/__init__.py -> build/lib/mlatom/mltpa 2026-06-15T04:52:47,021 creating build/lib/mlatom/julia 2026-06-15T04:52:47,022 copying src/mlatom/julia/kreg_julia.py -> build/lib/mlatom/julia 2026-06-15T04:52:47,024 copying src/mlatom/julia/__init__.py -> build/lib/mlatom/julia 2026-06-15T04:52:47,026 creating build/lib/mlatom/MLatomF_src 2026-06-15T04:52:47,027 copying src/mlatom/MLatomF_src/__init__.py -> build/lib/mlatom/MLatomF_src 2026-06-15T04:52:47,029 creating build/lib/mlatom/fortran 2026-06-15T04:52:47,030 copying src/mlatom/fortran/compile.py -> build/lib/mlatom/fortran 2026-06-15T04:52:47,032 copying src/mlatom/fortran/__init__.py -> build/lib/mlatom/fortran 2026-06-15T04:52:47,034 creating build/lib/mlatom/addons 2026-06-15T04:52:47,035 copying src/mlatom/addons/__init__.py -> build/lib/mlatom/addons 2026-06-15T04:52:47,037 creating build/lib/mlatom/mlatom_models 2026-06-15T04:52:47,038 copying src/mlatom/mlatom_models/__init__.py -> build/lib/mlatom/mlatom_models 2026-06-15T04:52:47,041 creating build/lib/mlatom/interfaces 2026-06-15T04:52:47,042 copying src/mlatom/interfaces/aimnet2_interface.py -> build/lib/mlatom/interfaces 2026-06-15T04:52:47,044 copying src/mlatom/interfaces/torchani_interface.py -> build/lib/mlatom/interfaces 2026-06-15T04:52:47,048 copying src/mlatom/interfaces/orca_interface.py -> build/lib/mlatom/interfaces 2026-06-15T04:52:47,051 copying src/mlatom/interfaces/dftbplus_interface.py -> build/lib/mlatom/interfaces 2026-06-15T04:52:47,054 copying src/mlatom/interfaces/ase_interface.py -> build/lib/mlatom/interfaces 2026-06-15T04:52:47,056 copying src/mlatom/interfaces/dftd3_interface.py -> build/lib/mlatom/interfaces 2026-06-15T04:52:47,058 copying src/mlatom/interfaces/sgdml_interface.py -> build/lib/mlatom/interfaces 2026-06-15T04:52:47,062 copying src/mlatom/interfaces/dftd4_interface.py -> build/lib/mlatom/interfaces 2026-06-15T04:52:47,064 copying src/mlatom/interfaces/dpmd_interface.py -> build/lib/mlatom/interfaces 2026-06-15T04:52:47,067 copying src/mlatom/interfaces/sparrow_interface.py -> build/lib/mlatom/interfaces 2026-06-15T04:52:47,069 copying src/mlatom/interfaces/geometric_interface.py -> build/lib/mlatom/interfaces 2026-06-15T04:52:47,071 copying src/mlatom/interfaces/xtb_interface.py -> build/lib/mlatom/interfaces 2026-06-15T04:52:47,074 copying src/mlatom/interfaces/gaussian_external.py -> build/lib/mlatom/interfaces 2026-06-15T04:52:47,075 copying src/mlatom/interfaces/gap_interface.py -> build/lib/mlatom/interfaces 2026-06-15T04:52:47,078 copying src/mlatom/interfaces/columbus_interface.py -> build/lib/mlatom/interfaces 2026-06-15T04:52:47,080 copying src/mlatom/interfaces/mace_interface.py -> build/lib/mlatom/interfaces 2026-06-15T04:52:47,083 copying src/mlatom/interfaces/mndo_interface.py -> build/lib/mlatom/interfaces 2026-06-15T04:52:47,085 copying src/mlatom/interfaces/__init__.py -> build/lib/mlatom/interfaces 2026-06-15T04:52:47,086 copying src/mlatom/interfaces/gaussian_interface.py -> build/lib/mlatom/interfaces 2026-06-15T04:52:47,089 copying src/mlatom/interfaces/pyscf_interface.py -> build/lib/mlatom/interfaces 2026-06-15T04:52:47,092 copying src/mlatom/interfaces/physnet_interface.py -> build/lib/mlatom/interfaces 2026-06-15T04:52:47,095 copying src/mlatom/interfaces/mace_methods_interface.py -> build/lib/mlatom/interfaces 2026-06-15T04:52:47,097 copying src/mlatom/interfaces/pysisyphus_interface.py -> build/lib/mlatom/interfaces 2026-06-15T04:52:47,099 copying src/mlatom/interfaces/turbomole_interface.py -> build/lib/mlatom/interfaces 2026-06-15T04:52:47,101 copying src/mlatom/interfaces/torchani_heavy_parts.py -> build/lib/mlatom/interfaces 2026-06-15T04:52:47,131 creating build/lib/mlatom/fortran/np2 2026-06-15T04:52:47,132 copying src/mlatom/fortran/np2/__init__.py -> build/lib/mlatom/fortran/np2 2026-06-15T04:52:47,134 creating build/lib/mlatom/fortran/np1 2026-06-15T04:52:47,135 copying src/mlatom/fortran/np1/__init__.py -> build/lib/mlatom/fortran/np1 2026-06-15T04:52:47,137 creating build/lib/mlatom/addons/omnip2x 2026-06-15T04:52:47,138 copying src/mlatom/addons/omnip2x/omnip2x.py -> build/lib/mlatom/addons/omnip2x 2026-06-15T04:52:47,141 copying src/mlatom/addons/omnip2x/re_state_input_net.py -> build/lib/mlatom/addons/omnip2x 2026-06-15T04:52:47,142 copying src/mlatom/addons/omnip2x/vecmsani.py -> build/lib/mlatom/addons/omnip2x 2026-06-15T04:52:47,145 copying src/mlatom/addons/omnip2x/__init__.py -> build/lib/mlatom/addons/omnip2x 2026-06-15T04:52:47,147 creating build/lib/mlatom/addons/aiqm3 2026-06-15T04:52:47,148 copying src/mlatom/addons/aiqm3/__init__.py -> build/lib/mlatom/addons/aiqm3 2026-06-15T04:52:47,150 copying src/mlatom/addons/aiqm3/aiqm3.py -> build/lib/mlatom/addons/aiqm3 2026-06-15T04:52:47,152 creating build/lib/mlatom/addons/uaiqm 2026-06-15T04:52:47,153 copying src/mlatom/addons/uaiqm/uaiqm.py -> build/lib/mlatom/addons/uaiqm 2026-06-15T04:52:47,156 copying src/mlatom/addons/uaiqm/__init__.py -> build/lib/mlatom/addons/uaiqm 2026-06-15T04:52:47,158 creating build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-15T04:52:47,159 copying src/mlatom/mlatom_models/aiqm2_model/__init__.py -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-15T04:52:47,161 creating build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-15T04:52:47,162 copying src/mlatom/mlatom_models/aiqm1_model/__init__.py -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-15T04:52:47,236 copying src/mlatom/MLatomF -> build/lib/mlatom 2026-06-15T04:52:47,460 copying src/mlatom/ref.json -> build/lib/mlatom 2026-06-15T04:52:47,463 copying src/mlatom/cs.so -> build/lib/mlatom 2026-06-15T04:52:47,466 copying src/mlatom/mltpa/mff.txt -> build/lib/mlatom/mltpa 2026-06-15T04:52:47,469 copying src/mlatom/mltpa/mltpa2022_2_new_.pkl -> build/lib/mlatom/mltpa 2026-06-15T04:52:47,503 copying src/mlatom/mltpa/mltpa2022_2.pkl -> build/lib/mlatom/mltpa 2026-06-15T04:52:47,557 copying src/mlatom/julia/KREG.jl -> build/lib/mlatom/julia 2026-06-15T04:52:47,560 copying src/mlatom/julia/krr.jl -> build/lib/mlatom/julia 2026-06-15T04:52:47,563 copying src/mlatom/julia/kernel_function.jl -> build/lib/mlatom/julia 2026-06-15T04:52:47,565 copying src/mlatom/julia/stopper.jl -> build/lib/mlatom/julia 2026-06-15T04:52:47,568 copying src/mlatom/julia/mathUtils.jl -> build/lib/mlatom/julia 2026-06-15T04:52:47,570 copying src/mlatom/MLatomF_src/cs.cpp -> build/lib/mlatom/MLatomF_src 2026-06-15T04:52:47,573 copying src/mlatom/MLatomF_src/timing.f90 -> build/lib/mlatom/MLatomF_src 2026-06-15T04:52:47,575 copying src/mlatom/MLatomF_src/A_KRR.f90 -> build/lib/mlatom/MLatomF_src 2026-06-15T04:52:47,579 copying src/mlatom/MLatomF_src/constants.f90 -> build/lib/mlatom/MLatomF_src 2026-06-15T04:52:47,581 copying src/mlatom/MLatomF_src/molDescr.f90 -> build/lib/mlatom/MLatomF_src 2026-06-15T04:52:47,585 copying src/mlatom/MLatomF_src/D_ID.f90 -> build/lib/mlatom/MLatomF_src 2026-06-15T04:52:47,587 copying src/mlatom/MLatomF_src/optionsModule.f90 -> build/lib/mlatom/MLatomF_src 2026-06-15T04:52:47,591 copying src/mlatom/MLatomF_src/D_rel2eq.f90 -> build/lib/mlatom/MLatomF_src 2026-06-15T04:52:47,593 copying src/mlatom/MLatomF_src/statistics.f90 -> build/lib/mlatom/MLatomF_src 2026-06-15T04:52:47,597 copying src/mlatom/MLatomF_src/mathUtils.f90 -> build/lib/mlatom/MLatomF_src 2026-06-15T04:52:47,600 copying src/mlatom/MLatomF_src/MLatomFInfo.f90 -> build/lib/mlatom/MLatomF_src 2026-06-15T04:52:47,602 copying src/mlatom/MLatomF_src/sampling.f90 -> build/lib/mlatom/MLatomF_src 2026-06-15T04:52:47,605 copying src/mlatom/MLatomF_src/D_CoulombMatrix.f90 -> build/lib/mlatom/MLatomF_src 2026-06-15T04:52:47,607 copying src/mlatom/MLatomF_src/stopper.f90 -> build/lib/mlatom/MLatomF_src 2026-06-15T04:52:47,610 copying src/mlatom/MLatomF_src/MLatomF.f90 -> build/lib/mlatom/MLatomF_src 2026-06-15T04:52:47,613 copying src/mlatom/MLatomF_src/precision.f90 -> build/lib/mlatom/MLatomF_src 2026-06-15T04:52:47,615 copying src/mlatom/MLatomF_src/MLmodel.f90 -> build/lib/mlatom/MLatomF_src 2026-06-15T04:52:47,619 copying src/mlatom/MLatomF_src/strings.f90 -> build/lib/mlatom/MLatomF_src 2026-06-15T04:52:47,621 copying src/mlatom/MLatomF_src/A_KRR_kernel.f90 -> build/lib/mlatom/MLatomF_src 2026-06-15T04:52:47,625 copying src/mlatom/MLatomF_src/types.f90 -> build/lib/mlatom/MLatomF_src 2026-06-15T04:52:47,627 copying src/mlatom/MLatomF_src/analyze.f90 -> build/lib/mlatom/MLatomF_src 2026-06-15T04:52:47,630 copying src/mlatom/MLatomF_src/dataset.f90 -> build/lib/mlatom/MLatomF_src 2026-06-15T04:52:47,633 copying src/mlatom/MLatomF_src/Makefile -> build/lib/mlatom/MLatomF_src 2026-06-15T04:52:47,636 copying src/mlatom/MLatomF_src/Makefile.intel -> build/lib/mlatom/MLatomF_src 2026-06-15T04:52:47,638 copying src/mlatom/MLatomF_src/recover.sh -> build/lib/mlatom/MLatomF_src 2026-06-15T04:52:47,640 copying src/mlatom/fortran/KREG.f90 -> build/lib/mlatom/fortran 2026-06-15T04:52:47,644 copying src/mlatom/fortran/mathUtils.f90 -> build/lib/mlatom/fortran 2026-06-15T04:52:47,646 copying src/mlatom/fortran/stopper.f90 -> build/lib/mlatom/fortran 2026-06-15T04:52:47,649 copying src/mlatom/interfaces/xtb -> build/lib/mlatom/interfaces 2026-06-15T04:52:48,911 copying src/mlatom/fortran/np2/KREG.so -> build/lib/mlatom/fortran/np2 2026-06-15T04:52:48,936 copying src/mlatom/fortran/np1/KREG.so -> build/lib/mlatom/fortran/np1 2026-06-15T04:52:48,959 copying src/mlatom/mlatom_models/aiqm2_model/cv3.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-15T04:52:49,009 copying src/mlatom/mlatom_models/aiqm2_model/cv1.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-15T04:52:49,050 copying src/mlatom/mlatom_models/aiqm2_model/cv2.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-15T04:52:49,090 copying src/mlatom/mlatom_models/aiqm2_model/cv7.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-15T04:52:49,143 copying src/mlatom/mlatom_models/aiqm2_model/cv0.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-15T04:52:49,192 copying src/mlatom/mlatom_models/aiqm2_model/cv4.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-15T04:52:49,242 copying src/mlatom/mlatom_models/aiqm2_model/cv5.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-15T04:52:49,289 copying src/mlatom/mlatom_models/aiqm2_model/cv6.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-15T04:52:49,327 copying src/mlatom/mlatom_models/aiqm1_model/cv3.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-15T04:52:49,395 copying src/mlatom/mlatom_models/aiqm1_model/cv1.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-15T04:52:49,423 copying src/mlatom/mlatom_models/aiqm1_model/cv2.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-15T04:52:49,453 copying src/mlatom/mlatom_models/aiqm1_model/cv7.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-15T04:52:49,484 copying src/mlatom/mlatom_models/aiqm1_model/cv0.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-15T04:52:49,515 copying src/mlatom/mlatom_models/aiqm1_model/cv4.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-15T04:52:49,545 copying src/mlatom/mlatom_models/aiqm1_model/cv5.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-15T04:52:49,580 copying src/mlatom/mlatom_models/aiqm1_model/cv6.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-15T04:52:49,657 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/cmd.py:90: SetuptoolsDeprecationWarning: setup.py install is deprecated. 2026-06-15T04:52:49,657 !! 2026-06-15T04:52:49,658 ******************************************************************************** 2026-06-15T04:52:49,659 Please avoid running ``setup.py`` directly. 2026-06-15T04:52:49,659 Instead, use pypa/build, pypa/installer or other 2026-06-15T04:52:49,660 standards-based tools. 2026-06-15T04:52:49,661 This deprecation is overdue, please update your project and remove deprecated 2026-06-15T04:52:49,661 calls to avoid build errors in the future. 2026-06-15T04:52:49,662 See https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.html for details. 2026-06-15T04:52:49,663 ******************************************************************************** 2026-06-15T04:52:49,664 !! 2026-06-15T04:52:49,665 self.initialize_options() 2026-06-15T04:52:49,713 installing to build/bdist.linux-armv7l/wheel 2026-06-15T04:52:49,713 running install 2026-06-15T04:52:49,736 running install_lib 2026-06-15T04:52:49,786 creating build/bdist.linux-armv7l/wheel 2026-06-15T04:52:49,789 creating build/bdist.linux-armv7l/wheel/mlatom 2026-06-15T04:52:49,790 copying build/lib/mlatom/EEEDDDD_descriptor.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:49,793 copying build/lib/mlatom/header.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:49,795 copying build/lib/mlatom/MLatomF -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,028 copying build/lib/mlatom/stopper.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,030 copying build/lib/mlatom/MLTPA.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,033 copying build/lib/mlatom/ref.json -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,035 copying build/lib/mlatom/namd.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,039 copying build/lib/mlatom/dens.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,042 copying build/lib/mlatom/md_parallel.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,045 copying build/lib/mlatom/data.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,050 copying build/lib/mlatom/stats.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,052 copying build/lib/mlatom/decorators.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,055 copying build/lib/mlatom/kreg_api.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,058 creating build/bdist.linux-armv7l/wheel/mlatom/mltpa 2026-06-15T04:52:50,059 copying build/lib/mlatom/mltpa/mff.txt -> build/bdist.linux-armv7l/wheel/./mlatom/mltpa 2026-06-15T04:52:50,062 copying build/lib/mlatom/mltpa/mltpa2022_2_new_.pkl -> build/bdist.linux-armv7l/wheel/./mlatom/mltpa 2026-06-15T04:52:50,095 copying build/lib/mlatom/mltpa/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/mltpa 2026-06-15T04:52:50,096 copying build/lib/mlatom/mltpa/mltpa2022_2.pkl -> build/bdist.linux-armv7l/wheel/./mlatom/mltpa 2026-06-15T04:52:50,149 creating build/bdist.linux-armv7l/wheel/mlatom/julia 2026-06-15T04:52:50,150 copying build/lib/mlatom/julia/KREG.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-06-15T04:52:50,152 copying build/lib/mlatom/julia/kreg_julia.py -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-06-15T04:52:50,154 copying build/lib/mlatom/julia/krr.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-06-15T04:52:50,156 copying build/lib/mlatom/julia/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-06-15T04:52:50,158 copying build/lib/mlatom/julia/kernel_function.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-06-15T04:52:50,159 copying build/lib/mlatom/julia/stopper.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-06-15T04:52:50,161 copying build/lib/mlatom/julia/mathUtils.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-06-15T04:52:50,162 copying build/lib/mlatom/MLatom.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,165 copying build/lib/mlatom/al.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,167 copying build/lib/mlatom/_version.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,169 copying build/lib/mlatom/initial_conditions.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,172 copying build/lib/mlatom/gen_ts_methods.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,174 copying build/lib/mlatom/omnip1_nn.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,176 copying build/lib/mlatom/doc.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,179 copying build/lib/mlatom/MLtasks.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,182 copying build/lib/mlatom/composite_methods.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,184 copying build/lib/mlatom/model_cls.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,187 copying build/lib/mlatom/ML_NEA.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,191 copying build/lib/mlatom/args_class.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,194 copying build/lib/mlatom/_version_static.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,197 creating build/bdist.linux-armv7l/wheel/mlatom/MLatomF_src 2026-06-15T04:52:50,198 copying build/lib/mlatom/MLatomF_src/timing.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-15T04:52:50,200 copying build/lib/mlatom/MLatomF_src/A_KRR.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-15T04:52:50,203 copying build/lib/mlatom/MLatomF_src/constants.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-15T04:52:50,205 copying build/lib/mlatom/MLatomF_src/Makefile -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-15T04:52:50,206 copying build/lib/mlatom/MLatomF_src/recover.sh -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-15T04:52:50,208 copying build/lib/mlatom/MLatomF_src/molDescr.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-15T04:52:50,210 copying build/lib/mlatom/MLatomF_src/D_ID.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-15T04:52:50,212 copying build/lib/mlatom/MLatomF_src/optionsModule.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-15T04:52:50,215 copying build/lib/mlatom/MLatomF_src/cs.cpp -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-15T04:52:50,217 copying build/lib/mlatom/MLatomF_src/D_rel2eq.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-15T04:52:50,220 copying build/lib/mlatom/MLatomF_src/statistics.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-15T04:52:50,223 copying build/lib/mlatom/MLatomF_src/mathUtils.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-15T04:52:50,225 copying build/lib/mlatom/MLatomF_src/MLatomFInfo.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-15T04:52:50,227 copying build/lib/mlatom/MLatomF_src/sampling.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-15T04:52:50,229 copying build/lib/mlatom/MLatomF_src/D_CoulombMatrix.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-15T04:52:50,231 copying build/lib/mlatom/MLatomF_src/stopper.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-15T04:52:50,233 copying build/lib/mlatom/MLatomF_src/MLatomF.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-15T04:52:50,235 copying build/lib/mlatom/MLatomF_src/precision.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-15T04:52:50,236 copying build/lib/mlatom/MLatomF_src/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-15T04:52:50,238 copying build/lib/mlatom/MLatomF_src/MLmodel.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-15T04:52:50,240 copying build/lib/mlatom/MLatomF_src/Makefile.intel -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-15T04:52:50,243 copying build/lib/mlatom/MLatomF_src/strings.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-15T04:52:50,244 copying build/lib/mlatom/MLatomF_src/A_KRR_kernel.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-15T04:52:50,248 copying build/lib/mlatom/MLatomF_src/types.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-15T04:52:50,250 copying build/lib/mlatom/MLatomF_src/analyze.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-15T04:52:50,252 copying build/lib/mlatom/MLatomF_src/dataset.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-15T04:52:50,255 copying build/lib/mlatom/mlatom_gui.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,258 copying build/lib/mlatom/log.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,261 copying build/lib/mlatom/plot.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,263 copying build/lib/mlatom/ccsdtstarcbs.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,266 copying build/lib/mlatom/aiqm2.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,268 copying build/lib/mlatom/al_utils.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,273 copying build/lib/mlatom/GICnet.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,276 copying build/lib/mlatom/functionsGICnet.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,279 creating build/bdist.linux-armv7l/wheel/mlatom/fortran 2026-06-15T04:52:50,281 copying build/lib/mlatom/fortran/KREG.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-06-15T04:52:50,284 copying build/lib/mlatom/fortran/mathUtils.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-06-15T04:52:50,286 copying build/lib/mlatom/fortran/compile.py -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-06-15T04:52:50,288 copying build/lib/mlatom/fortran/stopper.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-06-15T04:52:50,290 copying build/lib/mlatom/fortran/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-06-15T04:52:50,292 creating build/bdist.linux-armv7l/wheel/mlatom/fortran/np2 2026-06-15T04:52:50,293 copying build/lib/mlatom/fortran/np2/KREG.so -> build/bdist.linux-armv7l/wheel/./mlatom/fortran/np2 2026-06-15T04:52:50,313 copying build/lib/mlatom/fortran/np2/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/fortran/np2 2026-06-15T04:52:50,315 creating build/bdist.linux-armv7l/wheel/mlatom/fortran/np1 2026-06-15T04:52:50,317 copying build/lib/mlatom/fortran/np1/KREG.so -> build/bdist.linux-armv7l/wheel/./mlatom/fortran/np1 2026-06-15T04:52:50,335 copying build/lib/mlatom/fortran/np1/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/fortran/np1 2026-06-15T04:52:50,337 copying build/lib/mlatom/interface_MLatomF.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,340 copying build/lib/mlatom/krr_julia.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,342 creating build/bdist.linux-armv7l/wheel/mlatom/addons 2026-06-15T04:52:50,344 creating build/bdist.linux-armv7l/wheel/mlatom/addons/omnip2x 2026-06-15T04:52:50,345 copying build/lib/mlatom/addons/omnip2x/omnip2x.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/omnip2x 2026-06-15T04:52:50,348 copying build/lib/mlatom/addons/omnip2x/re_state_input_net.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/omnip2x 2026-06-15T04:52:50,350 copying build/lib/mlatom/addons/omnip2x/vecmsani.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/omnip2x 2026-06-15T04:52:50,353 copying build/lib/mlatom/addons/omnip2x/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/omnip2x 2026-06-15T04:52:50,355 creating build/bdist.linux-armv7l/wheel/mlatom/addons/aiqm3 2026-06-15T04:52:50,357 copying build/lib/mlatom/addons/aiqm3/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/aiqm3 2026-06-15T04:52:50,359 copying build/lib/mlatom/addons/aiqm3/aiqm3.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/aiqm3 2026-06-15T04:52:50,361 creating build/bdist.linux-armv7l/wheel/mlatom/addons/uaiqm 2026-06-15T04:52:50,362 copying build/lib/mlatom/addons/uaiqm/uaiqm.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/uaiqm 2026-06-15T04:52:50,365 copying build/lib/mlatom/addons/uaiqm/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/uaiqm 2026-06-15T04:52:50,366 copying build/lib/mlatom/addons/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons 2026-06-15T04:52:50,368 copying build/lib/mlatom/spectra.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,372 copying build/lib/mlatom/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,374 copying build/lib/mlatom/ciopt.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,376 copying build/lib/mlatom/md2vibr.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,379 copying build/lib/mlatom/conversions.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,381 copying build/lib/mlatom/EEEDDDD_nn.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,383 copying build/lib/mlatom/md.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,386 copying build/lib/mlatom/EEEDDDD.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,389 copying build/lib/mlatom/omnip1.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,392 creating build/bdist.linux-armv7l/wheel/mlatom/mlatom_models 2026-06-15T04:52:50,394 creating build/bdist.linux-armv7l/wheel/mlatom/mlatom_models/aiqm2_model 2026-06-15T04:52:50,395 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv3.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-15T04:52:50,436 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv1.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-15T04:52:50,482 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv2.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-15T04:52:50,526 copying build/lib/mlatom/mlatom_models/aiqm2_model/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-15T04:52:50,527 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv7.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-15T04:52:50,566 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv0.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-15T04:52:50,606 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv4.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-15T04:52:50,647 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv5.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-15T04:52:50,687 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv6.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-15T04:52:50,735 copying build/lib/mlatom/mlatom_models/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models 2026-06-15T04:52:50,737 creating build/bdist.linux-armv7l/wheel/mlatom/mlatom_models/aiqm1_model 2026-06-15T04:52:50,738 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv3.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-15T04:52:50,773 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv1.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-15T04:52:50,800 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv2.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-15T04:52:50,829 copying build/lib/mlatom/mlatom_models/aiqm1_model/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-15T04:52:50,831 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv7.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-15T04:52:50,859 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv0.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-15T04:52:50,893 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv4.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-15T04:52:50,925 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv5.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-15T04:52:50,953 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv6.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-15T04:52:50,982 copying build/lib/mlatom/aiqm1.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,985 copying build/lib/mlatom/utils.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,987 copying build/lib/mlatom/constants.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,988 copying build/lib/mlatom/thermostat.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,991 copying build/lib/mlatom/models.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,994 copying build/lib/mlatom/simulations.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,997 copying build/lib/mlatom/irc.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:50,999 copying build/lib/mlatom/gap_md.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:51,002 copying build/lib/mlatom/_update_check.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:51,004 copying build/lib/mlatom/md_cmd.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:51,006 copying build/lib/mlatom/cs.so -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:51,008 copying build/lib/mlatom/xyz.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:51,010 copying build/lib/mlatom/shell_cmd.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:51,012 copying build/lib/mlatom/md2vibr_cmd.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:51,016 creating build/bdist.linux-armv7l/wheel/mlatom/interfaces 2026-06-15T04:52:51,017 copying build/lib/mlatom/interfaces/aimnet2_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-15T04:52:51,019 copying build/lib/mlatom/interfaces/torchani_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-15T04:52:51,023 copying build/lib/mlatom/interfaces/orca_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-15T04:52:51,025 copying build/lib/mlatom/interfaces/dftbplus_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-15T04:52:51,028 copying build/lib/mlatom/interfaces/ase_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-15T04:52:51,030 copying build/lib/mlatom/interfaces/dftd3_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-15T04:52:51,032 copying build/lib/mlatom/interfaces/sgdml_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-15T04:52:51,036 copying build/lib/mlatom/interfaces/dftd4_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-15T04:52:51,038 copying build/lib/mlatom/interfaces/dpmd_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-15T04:52:51,040 copying build/lib/mlatom/interfaces/sparrow_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-15T04:52:51,042 copying build/lib/mlatom/interfaces/geometric_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-15T04:52:51,044 copying build/lib/mlatom/interfaces/xtb_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-15T04:52:51,046 copying build/lib/mlatom/interfaces/gaussian_external.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-15T04:52:51,048 copying build/lib/mlatom/interfaces/xtb -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-15T04:52:52,634 copying build/lib/mlatom/interfaces/gap_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-15T04:52:52,636 copying build/lib/mlatom/interfaces/columbus_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-15T04:52:52,638 copying build/lib/mlatom/interfaces/mace_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-15T04:52:52,641 copying build/lib/mlatom/interfaces/mndo_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-15T04:52:52,644 copying build/lib/mlatom/interfaces/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-15T04:52:52,645 copying build/lib/mlatom/interfaces/gaussian_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-15T04:52:52,648 copying build/lib/mlatom/interfaces/pyscf_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-15T04:52:52,651 copying build/lib/mlatom/interfaces/physnet_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-15T04:52:52,654 copying build/lib/mlatom/interfaces/mace_methods_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-15T04:52:52,655 copying build/lib/mlatom/interfaces/pysisyphus_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-15T04:52:52,658 copying build/lib/mlatom/interfaces/turbomole_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-15T04:52:52,660 copying build/lib/mlatom/interfaces/torchani_heavy_parts.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-15T04:52:52,662 copying build/lib/mlatom/sliceData.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-15T04:52:52,665 running install_egg_info 2026-06-15T04:52:52,699 running egg_info 2026-06-15T04:52:52,725 writing src/mlatom.egg-info/PKG-INFO 2026-06-15T04:52:52,729 writing dependency_links to src/mlatom.egg-info/dependency_links.txt 2026-06-15T04:52:52,731 writing entry points to src/mlatom.egg-info/entry_points.txt 2026-06-15T04:52:52,733 writing requirements to src/mlatom.egg-info/requires.txt 2026-06-15T04:52:52,734 writing top-level names to src/mlatom.egg-info/top_level.txt 2026-06-15T04:52:52,844 reading manifest file 'src/mlatom.egg-info/SOURCES.txt' 2026-06-15T04:52:52,854 adding license file 'LICENSE.txt' 2026-06-15T04:52:52,863 writing manifest file 'src/mlatom.egg-info/SOURCES.txt' 2026-06-15T04:52:52,865 Copying src/mlatom.egg-info to build/bdist.linux-armv7l/wheel/./mlatom-3.23.0-py3.11.egg-info 2026-06-15T04:52:52,877 running install_scripts 2026-06-15T04:52:52,890 creating build/bdist.linux-armv7l/wheel/mlatom-3.23.0.dist-info/WHEEL 2026-06-15T04:52:52,893 creating '/tmp/pip-wheel-qpjdxkrx/mlatom-3.23.0-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2026-06-15T04:52:52,900 adding 'mlatom/EEEDDDD.py' 2026-06-15T04:52:52,902 adding 'mlatom/EEEDDDD_descriptor.py' 2026-06-15T04:52:52,903 adding 'mlatom/EEEDDDD_nn.py' 2026-06-15T04:52:52,907 adding 'mlatom/GICnet.py' 2026-06-15T04:52:52,910 adding 'mlatom/MLTPA.py' 2026-06-15T04:52:52,924 adding 'mlatom/ML_NEA.py' 2026-06-15T04:52:52,927 adding 'mlatom/MLatom.py' 2026-06-15T04:52:55,503 adding 'mlatom/MLatomF' 2026-06-15T04:52:55,634 adding 'mlatom/MLtasks.py' 2026-06-15T04:52:55,635 adding 'mlatom/__init__.py' 2026-06-15T04:52:55,637 adding 'mlatom/_update_check.py' 2026-06-15T04:52:55,638 adding 'mlatom/_version.py' 2026-06-15T04:52:55,639 adding 'mlatom/_version_static.py' 2026-06-15T04:52:55,641 adding 'mlatom/aiqm1.py' 2026-06-15T04:52:55,643 adding 'mlatom/aiqm2.py' 2026-06-15T04:52:55,647 adding 'mlatom/al.py' 2026-06-15T04:52:55,658 adding 'mlatom/al_utils.py' 2026-06-15T04:52:55,662 adding 'mlatom/args_class.py' 2026-06-15T04:52:55,665 adding 'mlatom/ccsdtstarcbs.py' 2026-06-15T04:52:55,669 adding 'mlatom/ciopt.py' 2026-06-15T04:52:55,672 adding 'mlatom/composite_methods.py' 2026-06-15T04:52:55,675 adding 'mlatom/constants.py' 2026-06-15T04:52:55,678 adding 'mlatom/conversions.py' 2026-06-15T04:52:55,682 adding 'mlatom/cs.so' 2026-06-15T04:52:55,702 adding 'mlatom/data.py' 2026-06-15T04:52:55,707 adding 'mlatom/decorators.py' 2026-06-15T04:52:55,713 adding 'mlatom/dens.py' 2026-06-15T04:52:55,720 adding 'mlatom/doc.py' 2026-06-15T04:52:55,726 adding 'mlatom/functionsGICnet.py' 2026-06-15T04:52:55,729 adding 'mlatom/gap_md.py' 2026-06-15T04:52:55,732 adding 'mlatom/gen_ts_methods.py' 2026-06-15T04:52:55,736 adding 'mlatom/header.py' 2026-06-15T04:52:55,742 adding 'mlatom/initial_conditions.py' 2026-06-15T04:52:55,746 adding 'mlatom/interface_MLatomF.py' 2026-06-15T04:52:55,752 adding 'mlatom/irc.py' 2026-06-15T04:52:55,755 adding 'mlatom/kreg_api.py' 2026-06-15T04:52:55,759 adding 'mlatom/krr_julia.py' 2026-06-15T04:52:55,762 adding 'mlatom/log.py' 2026-06-15T04:52:55,766 adding 'mlatom/md.py' 2026-06-15T04:52:55,769 adding 'mlatom/md2vibr.py' 2026-06-15T04:52:55,772 adding 'mlatom/md2vibr_cmd.py' 2026-06-15T04:52:55,775 adding 'mlatom/md_cmd.py' 2026-06-15T04:52:55,778 adding 'mlatom/md_parallel.py' 2026-06-15T04:52:55,785 adding 'mlatom/mlatom_gui.py' 2026-06-15T04:52:55,792 adding 'mlatom/model_cls.py' 2026-06-15T04:52:55,798 adding 'mlatom/models.py' 2026-06-15T04:52:55,806 adding 'mlatom/namd.py' 2026-06-15T04:52:55,809 adding 'mlatom/omnip1.py' 2026-06-15T04:52:55,812 adding 'mlatom/omnip1_nn.py' 2026-06-15T04:52:55,814 adding 'mlatom/plot.py' 2026-06-15T04:52:55,817 adding 'mlatom/ref.json' 2026-06-15T04:52:55,820 adding 'mlatom/shell_cmd.py' 2026-06-15T04:52:55,826 adding 'mlatom/simulations.py' 2026-06-15T04:52:55,830 adding 'mlatom/sliceData.py' 2026-06-15T04:52:55,837 adding 'mlatom/spectra.py' 2026-06-15T04:52:55,839 adding 'mlatom/stats.py' 2026-06-15T04:52:55,842 adding 'mlatom/stopper.py' 2026-06-15T04:52:55,847 adding 'mlatom/thermostat.py' 2026-06-15T04:52:55,853 adding 'mlatom/utils.py' 2026-06-15T04:52:55,858 adding 'mlatom/xyz.py' 2026-06-15T04:52:55,874 adding 'mlatom/MLatomF_src/A_KRR.f90' 2026-06-15T04:52:55,885 adding 'mlatom/MLatomF_src/A_KRR_kernel.f90' 2026-06-15T04:52:55,891 adding 'mlatom/MLatomF_src/D_CoulombMatrix.f90' 2026-06-15T04:52:55,896 adding 'mlatom/MLatomF_src/D_ID.f90' 2026-06-15T04:52:55,900 adding 'mlatom/MLatomF_src/D_rel2eq.f90' 2026-06-15T04:52:55,904 adding 'mlatom/MLatomF_src/MLatomF.f90' 2026-06-15T04:52:55,908 adding 'mlatom/MLatomF_src/MLatomFInfo.f90' 2026-06-15T04:52:55,914 adding 'mlatom/MLatomF_src/MLmodel.f90' 2026-06-15T04:52:55,918 adding 'mlatom/MLatomF_src/Makefile' 2026-06-15T04:52:55,922 adding 'mlatom/MLatomF_src/Makefile.intel' 2026-06-15T04:52:55,925 adding 'mlatom/MLatomF_src/__init__.py' 2026-06-15T04:52:55,929 adding 'mlatom/MLatomF_src/analyze.f90' 2026-06-15T04:52:55,933 adding 'mlatom/MLatomF_src/constants.f90' 2026-06-15T04:52:55,936 adding 'mlatom/MLatomF_src/cs.cpp' 2026-06-15T04:52:55,943 adding 'mlatom/MLatomF_src/dataset.f90' 2026-06-15T04:52:55,946 adding 'mlatom/MLatomF_src/mathUtils.f90' 2026-06-15T04:52:55,950 adding 'mlatom/MLatomF_src/molDescr.f90' 2026-06-15T04:52:55,957 adding 'mlatom/MLatomF_src/optionsModule.f90' 2026-06-15T04:52:55,959 adding 'mlatom/MLatomF_src/precision.f90' 2026-06-15T04:52:55,961 adding 'mlatom/MLatomF_src/recover.sh' 2026-06-15T04:52:55,963 adding 'mlatom/MLatomF_src/sampling.f90' 2026-06-15T04:52:55,965 adding 'mlatom/MLatomF_src/statistics.f90' 2026-06-15T04:52:55,967 adding 'mlatom/MLatomF_src/stopper.f90' 2026-06-15T04:52:55,969 adding 'mlatom/MLatomF_src/strings.f90' 2026-06-15T04:52:55,970 adding 'mlatom/MLatomF_src/timing.f90' 2026-06-15T04:52:55,972 adding 'mlatom/MLatomF_src/types.f90' 2026-06-15T04:52:55,974 adding 'mlatom/addons/__init__.py' 2026-06-15T04:52:55,976 adding 'mlatom/addons/aiqm3/__init__.py' 2026-06-15T04:52:55,978 adding 'mlatom/addons/aiqm3/aiqm3.py' 2026-06-15T04:52:55,980 adding 'mlatom/addons/omnip2x/__init__.py' 2026-06-15T04:52:55,982 adding 'mlatom/addons/omnip2x/omnip2x.py' 2026-06-15T04:52:55,984 adding 'mlatom/addons/omnip2x/re_state_input_net.py' 2026-06-15T04:52:55,988 adding 'mlatom/addons/omnip2x/vecmsani.py' 2026-06-15T04:52:55,990 adding 'mlatom/addons/uaiqm/__init__.py' 2026-06-15T04:52:55,991 adding 'mlatom/addons/uaiqm/uaiqm.py' 2026-06-15T04:52:55,994 adding 'mlatom/fortran/KREG.f90' 2026-06-15T04:52:55,996 adding 'mlatom/fortran/__init__.py' 2026-06-15T04:52:55,997 adding 'mlatom/fortran/compile.py' 2026-06-15T04:52:55,998 adding 'mlatom/fortran/mathUtils.f90' 2026-06-15T04:52:55,999 adding 'mlatom/fortran/stopper.f90' 2026-06-15T04:52:56,167 adding 'mlatom/fortran/np1/KREG.so' 2026-06-15T04:52:56,177 adding 'mlatom/fortran/np1/__init__.py' 2026-06-15T04:52:56,343 adding 'mlatom/fortran/np2/KREG.so' 2026-06-15T04:52:56,353 adding 'mlatom/fortran/np2/__init__.py' 2026-06-15T04:52:56,355 adding 'mlatom/interfaces/__init__.py' 2026-06-15T04:52:56,357 adding 'mlatom/interfaces/aimnet2_interface.py' 2026-06-15T04:52:56,358 adding 'mlatom/interfaces/ase_interface.py' 2026-06-15T04:52:56,360 adding 'mlatom/interfaces/columbus_interface.py' 2026-06-15T04:52:56,363 adding 'mlatom/interfaces/dftbplus_interface.py' 2026-06-15T04:52:56,364 adding 'mlatom/interfaces/dftd3_interface.py' 2026-06-15T04:52:56,366 adding 'mlatom/interfaces/dftd4_interface.py' 2026-06-15T04:52:56,368 adding 'mlatom/interfaces/dpmd_interface.py' 2026-06-15T04:52:56,370 adding 'mlatom/interfaces/gap_interface.py' 2026-06-15T04:52:56,372 adding 'mlatom/interfaces/gaussian_external.py' 2026-06-15T04:52:56,378 adding 'mlatom/interfaces/gaussian_interface.py' 2026-06-15T04:52:56,380 adding 'mlatom/interfaces/geometric_interface.py' 2026-06-15T04:52:56,384 adding 'mlatom/interfaces/mace_interface.py' 2026-06-15T04:52:56,386 adding 'mlatom/interfaces/mace_methods_interface.py' 2026-06-15T04:52:56,389 adding 'mlatom/interfaces/mndo_interface.py' 2026-06-15T04:52:56,394 adding 'mlatom/interfaces/orca_interface.py' 2026-06-15T04:52:56,399 adding 'mlatom/interfaces/physnet_interface.py' 2026-06-15T04:52:56,402 adding 'mlatom/interfaces/pyscf_interface.py' 2026-06-15T04:52:56,404 adding 'mlatom/interfaces/pysisyphus_interface.py' 2026-06-15T04:52:56,408 adding 'mlatom/interfaces/sgdml_interface.py' 2026-06-15T04:52:56,410 adding 'mlatom/interfaces/sparrow_interface.py' 2026-06-15T04:52:56,412 adding 'mlatom/interfaces/torchani_heavy_parts.py' 2026-06-15T04:52:56,422 adding 'mlatom/interfaces/torchani_interface.py' 2026-06-15T04:52:56,425 adding 'mlatom/interfaces/turbomole_interface.py' 2026-06-15T04:53:04,519 adding 'mlatom/interfaces/xtb' 2026-06-15T04:53:05,030 adding 'mlatom/interfaces/xtb_interface.py' 2026-06-15T04:53:05,032 adding 'mlatom/julia/KREG.jl' 2026-06-15T04:53:05,034 adding 'mlatom/julia/__init__.py' 2026-06-15T04:53:05,035 adding 'mlatom/julia/kernel_function.jl' 2026-06-15T04:53:05,037 adding 'mlatom/julia/kreg_julia.py' 2026-06-15T04:53:05,038 adding 'mlatom/julia/krr.jl' 2026-06-15T04:53:05,040 adding 'mlatom/julia/mathUtils.jl' 2026-06-15T04:53:05,041 adding 'mlatom/julia/stopper.jl' 2026-06-15T04:53:05,042 adding 'mlatom/mlatom_models/__init__.py' 2026-06-15T04:53:05,044 adding 'mlatom/mlatom_models/aiqm1_model/__init__.py' 2026-06-15T04:53:05,300 adding 'mlatom/mlatom_models/aiqm1_model/cv0.pt' 2026-06-15T04:53:05,572 adding 'mlatom/mlatom_models/aiqm1_model/cv1.pt' 2026-06-15T04:53:05,844 adding 'mlatom/mlatom_models/aiqm1_model/cv2.pt' 2026-06-15T04:53:06,115 adding 'mlatom/mlatom_models/aiqm1_model/cv3.pt' 2026-06-15T04:53:06,386 adding 'mlatom/mlatom_models/aiqm1_model/cv4.pt' 2026-06-15T04:53:06,658 adding 'mlatom/mlatom_models/aiqm1_model/cv5.pt' 2026-06-15T04:53:06,930 adding 'mlatom/mlatom_models/aiqm1_model/cv6.pt' 2026-06-15T04:53:07,202 adding 'mlatom/mlatom_models/aiqm1_model/cv7.pt' 2026-06-15T04:53:07,218 adding 'mlatom/mlatom_models/aiqm2_model/__init__.py' 2026-06-15T04:53:07,599 adding 'mlatom/mlatom_models/aiqm2_model/cv0.pt' 2026-06-15T04:53:08,002 adding 'mlatom/mlatom_models/aiqm2_model/cv1.pt' 2026-06-15T04:53:08,404 adding 'mlatom/mlatom_models/aiqm2_model/cv2.pt' 2026-06-15T04:53:08,806 adding 'mlatom/mlatom_models/aiqm2_model/cv3.pt' 2026-06-15T04:53:09,208 adding 'mlatom/mlatom_models/aiqm2_model/cv4.pt' 2026-06-15T04:53:09,630 adding 'mlatom/mlatom_models/aiqm2_model/cv5.pt' 2026-06-15T04:53:10,080 adding 'mlatom/mlatom_models/aiqm2_model/cv6.pt' 2026-06-15T04:53:10,483 adding 'mlatom/mlatom_models/aiqm2_model/cv7.pt' 2026-06-15T04:53:10,506 adding 'mlatom/mltpa/__init__.py' 2026-06-15T04:53:10,508 adding 'mlatom/mltpa/mff.txt' 2026-06-15T04:53:11,108 adding 'mlatom/mltpa/mltpa2022_2.pkl' 2026-06-15T04:53:11,492 adding 'mlatom/mltpa/mltpa2022_2_new_.pkl' 2026-06-15T04:53:11,513 adding 'mlatom-3.23.0.dist-info/licenses/LICENSE.txt' 2026-06-15T04:53:11,515 adding 'mlatom-3.23.0.dist-info/METADATA' 2026-06-15T04:53:11,516 adding 'mlatom-3.23.0.dist-info/WHEEL' 2026-06-15T04:53:11,517 adding 'mlatom-3.23.0.dist-info/entry_points.txt' 2026-06-15T04:53:11,518 adding 'mlatom-3.23.0.dist-info/top_level.txt' 2026-06-15T04:53:11,520 adding 'mlatom-3.23.0.dist-info/RECORD' 2026-06-15T04:53:12,070 removing build/bdist.linux-armv7l/wheel 2026-06-15T04:53:12,249 Building wheel for mlatom (setup.py): finished with status 'done' 2026-06-15T04:53:12,975 Created wheel for mlatom: filename=mlatom-3.23.0-py3-none-any.whl size=61825157 sha256=04a00d2f2f4646ff5a5356493733e7d8235879f7b1dfcb9da585aacea5efe984 2026-06-15T04:53:12,977 Stored in directory: /tmp/pip-ephem-wheel-cache-gjehp0jq/wheels/e8/c3/ac/bcdb67860887f8c0d51d433d4073b7bd97a7ef7694444b052d 2026-06-15T04:53:13,011 Successfully built mlatom 2026-06-15T04:53:14,472 Removed build tracker: '/tmp/pip-build-tracker-540bv1bx'