2026-06-25T04:47:46,493 Created temporary directory: /tmp/pip-ephem-wheel-cache-z8ggtnk4 2026-06-25T04:47:46,495 Created temporary directory: /tmp/pip-build-tracker-uthzbnly 2026-06-25T04:47:46,496 Initialized build tracking at /tmp/pip-build-tracker-uthzbnly 2026-06-25T04:47:46,496 Created build tracker: /tmp/pip-build-tracker-uthzbnly 2026-06-25T04:47:46,497 Entered build tracker: /tmp/pip-build-tracker-uthzbnly 2026-06-25T04:47:46,497 Created temporary directory: /tmp/pip-wheel-h84wuk3p 2026-06-25T04:47:46,500 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 2026-06-25T04:47:46,502 Created temporary directory: /tmp/pip-ephem-wheel-cache-51dv3jum 2026-06-25T04:47:46,524 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2026-06-25T04:47:46,527 2 location(s) to search for versions of mlatom: 2026-06-25T04:47:46,527 * https://pypi.org/simple/mlatom/ 2026-06-25T04:47:46,527 * https://www.piwheels.org/simple/mlatom/ 2026-06-25T04:47:46,528 Fetching project page and analyzing links: https://pypi.org/simple/mlatom/ 2026-06-25T04:47:46,529 Getting page https://pypi.org/simple/mlatom/ 2026-06-25T04:47:46,530 Found index url https://pypi.org/simple 2026-06-25T04:47:46,683 Fetched page https://pypi.org/simple/mlatom/ as application/vnd.pypi.simple.v1+json 2026-06-25T04:47:46,704 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 2026-06-25T04:47:46,705 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 2026-06-25T04:47:46,706 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 2026-06-25T04:47:46,707 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) 2026-06-25T04:47:46,708 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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2026-06-25T04:47:46,715 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 2026-06-25T04:47:46,715 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) 2026-06-25T04:47:46,716 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 2026-06-25T04:47:46,717 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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2026-06-25T04:47:46,792 Skipping link: No binaries permitted for mlatom: https://files.pythonhosted.org/packages/56/0e/0783f38ca22ab681441ac8d9db676f4fd9928c7581702f9647fe91e8a6fb/mlatom-3.23.0-py3-none-any.whl (from https://pypi.org/simple/mlatom/) (requires-python:>=3.8) 2026-06-25T04:47:46,793 Found link https://files.pythonhosted.org/packages/18/0b/489b4251318207c1f88c2ebb555853cd2720afda1b1c9b9a2f4c020af0ca/mlatom-3.23.0.tar.gz (from https://pypi.org/simple/mlatom/) (requires-python:>=3.8), version: 3.23.0 2026-06-25T04:47:46,794 Skipping link: No binaries permitted for mlatom: https://files.pythonhosted.org/packages/9e/24/e3bc2cdb60810a7303650dba2960667853ca2fe636a1a231b32504429c3c/mlatom-3.23.1-py3-none-any.whl (from https://pypi.org/simple/mlatom/) (requires-python:>=3.8) 2026-06-25T04:47:46,794 Found link https://files.pythonhosted.org/packages/aa/ce/7598561e9faf363d1597289d9f8ad1c29544903b66e94dbbb17ec736597d/mlatom-3.23.1.tar.gz (from https://pypi.org/simple/mlatom/) 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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) 2026-06-25T04:47:47,029 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) 2026-06-25T04:47:47,030 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) 2026-06-25T04:47:47,031 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) 2026-06-25T04:47:47,031 Skipping link: not a file: https://www.piwheels.org/simple/mlatom/ 2026-06-25T04:47:47,032 Skipping link: not a file: https://pypi.org/simple/mlatom/ 2026-06-25T04:47:47,058 Given no hashes to check 1 links for project 'mlatom': discarding no candidates 2026-06-25T04:47:47,078 Collecting mlatom==3.23.1 2026-06-25T04:47:47,080 Created temporary directory: /tmp/pip-unpack-j94frr38 2026-06-25T04:47:47,230 Downloading mlatom-3.23.1.tar.gz (61.6 MB) 2026-06-25T04:47:56,485 Added mlatom==3.23.1 from https://files.pythonhosted.org/packages/aa/ce/7598561e9faf363d1597289d9f8ad1c29544903b66e94dbbb17ec736597d/mlatom-3.23.1.tar.gz to build tracker '/tmp/pip-build-tracker-uthzbnly' 2026-06-25T04:47:56,487 Running setup.py (path:/tmp/pip-wheel-h84wuk3p/mlatom_780ae771859f4264b3a1ab89875fa793/setup.py) egg_info for package mlatom 2026-06-25T04:47:56,488 Created temporary directory: /tmp/pip-pip-egg-info-i2m85w1m 2026-06-25T04:47:56,489 Preparing metadata (setup.py): started 2026-06-25T04:47:56,490 Running command python setup.py egg_info 2026-06-25T04:47:57,649 running egg_info 2026-06-25T04:47:57,675 creating /tmp/pip-pip-egg-info-i2m85w1m/mlatom.egg-info 2026-06-25T04:47:57,676 writing /tmp/pip-pip-egg-info-i2m85w1m/mlatom.egg-info/PKG-INFO 2026-06-25T04:47:57,680 writing dependency_links to /tmp/pip-pip-egg-info-i2m85w1m/mlatom.egg-info/dependency_links.txt 2026-06-25T04:47:57,681 writing entry points to /tmp/pip-pip-egg-info-i2m85w1m/mlatom.egg-info/entry_points.txt 2026-06-25T04:47:57,683 writing requirements to /tmp/pip-pip-egg-info-i2m85w1m/mlatom.egg-info/requires.txt 2026-06-25T04:47:57,684 writing top-level names to /tmp/pip-pip-egg-info-i2m85w1m/mlatom.egg-info/top_level.txt 2026-06-25T04:47:57,685 writing manifest file '/tmp/pip-pip-egg-info-i2m85w1m/mlatom.egg-info/SOURCES.txt' 2026-06-25T04:47:57,861 reading manifest file '/tmp/pip-pip-egg-info-i2m85w1m/mlatom.egg-info/SOURCES.txt' 2026-06-25T04:47:57,862 adding license file 'LICENSE.txt' 2026-06-25T04:47:57,869 writing manifest file '/tmp/pip-pip-egg-info-i2m85w1m/mlatom.egg-info/SOURCES.txt' 2026-06-25T04:47:57,978 Preparing metadata (setup.py): finished with status 'done' 2026-06-25T04:47:57,983 Source in /tmp/pip-wheel-h84wuk3p/mlatom_780ae771859f4264b3a1ab89875fa793 has version 3.23.1, which satisfies requirement mlatom==3.23.1 from https://files.pythonhosted.org/packages/aa/ce/7598561e9faf363d1597289d9f8ad1c29544903b66e94dbbb17ec736597d/mlatom-3.23.1.tar.gz 2026-06-25T04:47:57,983 Removed mlatom==3.23.1 from https://files.pythonhosted.org/packages/aa/ce/7598561e9faf363d1597289d9f8ad1c29544903b66e94dbbb17ec736597d/mlatom-3.23.1.tar.gz from build tracker '/tmp/pip-build-tracker-uthzbnly' 2026-06-25T04:47:57,990 Created temporary directory: /tmp/pip-unpack-tlkx71ao 2026-06-25T04:47:57,990 Building wheels for collected packages: mlatom 2026-06-25T04:47:57,995 Created temporary directory: /tmp/pip-wheel-2e312s4i 2026-06-25T04:47:57,995 Building wheel for mlatom (setup.py): started 2026-06-25T04:47:57,996 Destination directory: /tmp/pip-wheel-2e312s4i 2026-06-25T04:47:57,997 Running command python setup.py bdist_wheel 2026-06-25T04:47:59,061 running bdist_wheel 2026-06-25T04:47:59,192 running build 2026-06-25T04:47:59,193 running build_py 2026-06-25T04:47:59,224 creating build/lib/mlatom 2026-06-25T04:47:59,226 copying src/mlatom/aiqm1.py -> build/lib/mlatom 2026-06-25T04:47:59,229 copying src/mlatom/ML_NEA.py -> build/lib/mlatom 2026-06-25T04:47:59,233 copying src/mlatom/al_utils.py -> build/lib/mlatom 2026-06-25T04:47:59,238 copying src/mlatom/conversions.py -> build/lib/mlatom 2026-06-25T04:47:59,240 copying src/mlatom/_version_static.py -> build/lib/mlatom 2026-06-25T04:47:59,241 copying src/mlatom/_update_check.py -> build/lib/mlatom 2026-06-25T04:47:59,244 copying src/mlatom/constants.py -> build/lib/mlatom 2026-06-25T04:47:59,246 copying src/mlatom/gen_ts_methods.py -> build/lib/mlatom 2026-06-25T04:47:59,248 copying src/mlatom/__init__.py -> build/lib/mlatom 2026-06-25T04:47:59,250 copying src/mlatom/namd.py -> build/lib/mlatom 2026-06-25T04:47:59,254 copying src/mlatom/decorators.py -> build/lib/mlatom 2026-06-25T04:47:59,255 copying src/mlatom/args_class.py -> build/lib/mlatom 2026-06-25T04:47:59,258 copying src/mlatom/models.py -> build/lib/mlatom 2026-06-25T04:47:59,261 copying src/mlatom/EEEDDDD_nn.py -> build/lib/mlatom 2026-06-25T04:47:59,264 copying src/mlatom/al.py -> build/lib/mlatom 2026-06-25T04:47:59,267 copying src/mlatom/gap_md.py -> build/lib/mlatom 2026-06-25T04:47:59,269 copying src/mlatom/GICnet.py -> build/lib/mlatom 2026-06-25T04:47:59,272 copying src/mlatom/ccsdtstarcbs.py -> build/lib/mlatom 2026-06-25T04:47:59,275 copying src/mlatom/MLatom.py -> build/lib/mlatom 2026-06-25T04:47:59,277 copying src/mlatom/xyz.py -> build/lib/mlatom 2026-06-25T04:47:59,279 copying src/mlatom/md2vibr.py -> build/lib/mlatom 2026-06-25T04:47:59,282 copying src/mlatom/md_parallel.py -> build/lib/mlatom 2026-06-25T04:47:59,284 copying src/mlatom/composite_methods.py -> build/lib/mlatom 2026-06-25T04:47:59,286 copying src/mlatom/EEEDDDD_descriptor.py -> build/lib/mlatom 2026-06-25T04:47:59,288 copying src/mlatom/kreg_api.py -> build/lib/mlatom 2026-06-25T04:47:59,291 copying src/mlatom/_version.py -> build/lib/mlatom 2026-06-25T04:47:59,292 copying src/mlatom/irc.py -> build/lib/mlatom 2026-06-25T04:47:59,295 copying src/mlatom/MLTPA.py -> build/lib/mlatom 2026-06-25T04:47:59,298 copying src/mlatom/stats.py -> build/lib/mlatom 2026-06-25T04:47:59,300 copying src/mlatom/data.py -> build/lib/mlatom 2026-06-25T04:47:59,305 copying src/mlatom/krr_julia.py -> build/lib/mlatom 2026-06-25T04:47:59,306 copying src/mlatom/ciopt.py -> build/lib/mlatom 2026-06-25T04:47:59,309 copying src/mlatom/interface_MLatomF.py -> build/lib/mlatom 2026-06-25T04:47:59,311 copying src/mlatom/stopper.py -> build/lib/mlatom 2026-06-25T04:47:59,313 copying src/mlatom/shell_cmd.py -> build/lib/mlatom 2026-06-25T04:47:59,314 copying src/mlatom/utils.py -> build/lib/mlatom 2026-06-25T04:47:59,317 copying src/mlatom/plot.py -> build/lib/mlatom 2026-06-25T04:47:59,319 copying src/mlatom/omnip1_nn.py -> build/lib/mlatom 2026-06-25T04:47:59,321 copying src/mlatom/md_cmd.py -> build/lib/mlatom 2026-06-25T04:47:59,323 copying src/mlatom/md.py -> build/lib/mlatom 2026-06-25T04:47:59,326 copying src/mlatom/mlatom_gui.py -> build/lib/mlatom 2026-06-25T04:47:59,329 copying src/mlatom/sliceData.py -> build/lib/mlatom 2026-06-25T04:47:59,331 copying src/mlatom/EEEDDDD.py -> build/lib/mlatom 2026-06-25T04:47:59,334 copying src/mlatom/spectra.py -> build/lib/mlatom 2026-06-25T04:47:59,338 copying src/mlatom/md2vibr_cmd.py -> build/lib/mlatom 2026-06-25T04:47:59,341 copying src/mlatom/omnip1.py -> build/lib/mlatom 2026-06-25T04:47:59,343 copying src/mlatom/initial_conditions.py -> build/lib/mlatom 2026-06-25T04:47:59,345 copying src/mlatom/header.py -> build/lib/mlatom 2026-06-25T04:47:59,348 copying src/mlatom/MLtasks.py -> build/lib/mlatom 2026-06-25T04:47:59,351 copying src/mlatom/thermostat.py -> build/lib/mlatom 2026-06-25T04:47:59,354 copying src/mlatom/functionsGICnet.py -> build/lib/mlatom 2026-06-25T04:47:59,357 copying src/mlatom/doc.py -> build/lib/mlatom 2026-06-25T04:47:59,371 copying src/mlatom/log.py -> build/lib/mlatom 2026-06-25T04:47:59,374 copying src/mlatom/model_cls.py -> build/lib/mlatom 2026-06-25T04:47:59,377 copying src/mlatom/aiqm2.py -> build/lib/mlatom 2026-06-25T04:47:59,380 copying src/mlatom/simulations.py -> build/lib/mlatom 2026-06-25T04:47:59,384 copying src/mlatom/dens.py -> build/lib/mlatom 2026-06-25T04:47:59,387 creating build/lib/mlatom/mltpa 2026-06-25T04:47:59,388 copying src/mlatom/mltpa/__init__.py -> build/lib/mlatom/mltpa 2026-06-25T04:47:59,390 creating build/lib/mlatom/MLatomF_src 2026-06-25T04:47:59,391 copying src/mlatom/MLatomF_src/__init__.py -> build/lib/mlatom/MLatomF_src 2026-06-25T04:47:59,393 creating build/lib/mlatom/addons 2026-06-25T04:47:59,394 copying src/mlatom/addons/__init__.py -> build/lib/mlatom/addons 2026-06-25T04:47:59,397 creating build/lib/mlatom/interfaces 2026-06-25T04:47:59,398 copying src/mlatom/interfaces/physnet_interface.py -> build/lib/mlatom/interfaces 2026-06-25T04:47:59,401 copying src/mlatom/interfaces/sgdml_interface.py -> build/lib/mlatom/interfaces 2026-06-25T04:47:59,404 copying src/mlatom/interfaces/dpmd_interface.py -> build/lib/mlatom/interfaces 2026-06-25T04:47:59,407 copying src/mlatom/interfaces/dftbplus_interface.py -> build/lib/mlatom/interfaces 2026-06-25T04:47:59,410 copying src/mlatom/interfaces/pyscf_interface.py -> build/lib/mlatom/interfaces 2026-06-25T04:47:59,412 copying src/mlatom/interfaces/geometric_interface.py -> build/lib/mlatom/interfaces 2026-06-25T04:47:59,414 copying src/mlatom/interfaces/__init__.py -> build/lib/mlatom/interfaces 2026-06-25T04:47:59,416 copying src/mlatom/interfaces/torchani_heavy_parts.py -> build/lib/mlatom/interfaces 2026-06-25T04:47:59,418 copying src/mlatom/interfaces/mace_methods_interface.py -> build/lib/mlatom/interfaces 2026-06-25T04:47:59,420 copying src/mlatom/interfaces/dftd4_interface.py -> build/lib/mlatom/interfaces 2026-06-25T04:47:59,422 copying src/mlatom/interfaces/mace_interface.py -> build/lib/mlatom/interfaces 2026-06-25T04:47:59,425 copying src/mlatom/interfaces/turbomole_interface.py -> build/lib/mlatom/interfaces 2026-06-25T04:47:59,428 copying src/mlatom/interfaces/gaussian_interface.py -> build/lib/mlatom/interfaces 2026-06-25T04:47:59,431 copying src/mlatom/interfaces/dftd3_interface.py -> build/lib/mlatom/interfaces 2026-06-25T04:47:59,434 copying src/mlatom/interfaces/columbus_interface.py -> build/lib/mlatom/interfaces 2026-06-25T04:47:59,436 copying src/mlatom/interfaces/sparrow_interface.py -> build/lib/mlatom/interfaces 2026-06-25T04:47:59,439 copying src/mlatom/interfaces/xtb_interface.py -> build/lib/mlatom/interfaces 2026-06-25T04:47:59,441 copying src/mlatom/interfaces/ase_interface.py -> build/lib/mlatom/interfaces 2026-06-25T04:47:59,443 copying src/mlatom/interfaces/mndo_interface.py -> build/lib/mlatom/interfaces 2026-06-25T04:47:59,446 copying src/mlatom/interfaces/aimnet2_interface.py -> build/lib/mlatom/interfaces 2026-06-25T04:47:59,448 copying src/mlatom/interfaces/pysisyphus_interface.py -> build/lib/mlatom/interfaces 2026-06-25T04:47:59,451 copying src/mlatom/interfaces/orca_interface.py -> build/lib/mlatom/interfaces 2026-06-25T04:47:59,453 copying src/mlatom/interfaces/torchani_interface.py -> build/lib/mlatom/interfaces 2026-06-25T04:47:59,457 copying src/mlatom/interfaces/gaussian_external.py -> build/lib/mlatom/interfaces 2026-06-25T04:47:59,460 copying src/mlatom/interfaces/gap_interface.py -> build/lib/mlatom/interfaces 2026-06-25T04:47:59,462 creating build/lib/mlatom/fortran 2026-06-25T04:47:59,464 copying src/mlatom/fortran/__init__.py -> build/lib/mlatom/fortran 2026-06-25T04:47:59,465 copying src/mlatom/fortran/compile.py -> build/lib/mlatom/fortran 2026-06-25T04:47:59,468 creating build/lib/mlatom/mlatom_models 2026-06-25T04:47:59,469 copying src/mlatom/mlatom_models/__init__.py -> build/lib/mlatom/mlatom_models 2026-06-25T04:47:59,471 creating build/lib/mlatom/julia 2026-06-25T04:47:59,472 copying src/mlatom/julia/kreg_julia.py -> build/lib/mlatom/julia 2026-06-25T04:47:59,475 copying src/mlatom/julia/__init__.py -> build/lib/mlatom/julia 2026-06-25T04:47:59,477 creating build/lib/mlatom/addons/uaiqm 2026-06-25T04:47:59,478 copying src/mlatom/addons/uaiqm/__init__.py -> build/lib/mlatom/addons/uaiqm 2026-06-25T04:47:59,480 copying src/mlatom/addons/uaiqm/uaiqm.py -> build/lib/mlatom/addons/uaiqm 2026-06-25T04:47:59,482 creating build/lib/mlatom/addons/aiqm3 2026-06-25T04:47:59,483 copying src/mlatom/addons/aiqm3/__init__.py -> build/lib/mlatom/addons/aiqm3 2026-06-25T04:47:59,485 copying src/mlatom/addons/aiqm3/aiqm3.py -> build/lib/mlatom/addons/aiqm3 2026-06-25T04:47:59,489 creating build/lib/mlatom/addons/omnip2x 2026-06-25T04:47:59,491 copying src/mlatom/addons/omnip2x/__init__.py -> build/lib/mlatom/addons/omnip2x 2026-06-25T04:47:59,493 copying src/mlatom/addons/omnip2x/re_state_input_net.py -> build/lib/mlatom/addons/omnip2x 2026-06-25T04:47:59,495 copying src/mlatom/addons/omnip2x/vecmsani.py -> build/lib/mlatom/addons/omnip2x 2026-06-25T04:47:59,498 copying src/mlatom/addons/omnip2x/omnip2x.py -> build/lib/mlatom/addons/omnip2x 2026-06-25T04:47:59,501 creating build/lib/mlatom/fortran/np2 2026-06-25T04:47:59,502 copying src/mlatom/fortran/np2/__init__.py -> build/lib/mlatom/fortran/np2 2026-06-25T04:47:59,506 creating build/lib/mlatom/fortran/np1 2026-06-25T04:47:59,507 copying src/mlatom/fortran/np1/__init__.py -> build/lib/mlatom/fortran/np1 2026-06-25T04:47:59,509 creating build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-25T04:47:59,510 copying src/mlatom/mlatom_models/aiqm1_model/__init__.py -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-25T04:47:59,512 creating build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-25T04:47:59,513 copying src/mlatom/mlatom_models/aiqm2_model/__init__.py -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-25T04:47:59,585 copying src/mlatom/MLatomF -> build/lib/mlatom 2026-06-25T04:47:59,829 copying src/mlatom/ref.json -> build/lib/mlatom 2026-06-25T04:47:59,833 copying src/mlatom/cs.so -> build/lib/mlatom 2026-06-25T04:47:59,836 copying src/mlatom/mltpa/mff.txt -> build/lib/mlatom/mltpa 2026-06-25T04:47:59,839 copying src/mlatom/mltpa/mltpa2022_2_new_.pkl -> build/lib/mlatom/mltpa 2026-06-25T04:47:59,875 copying src/mlatom/mltpa/mltpa2022_2.pkl -> build/lib/mlatom/mltpa 2026-06-25T04:48:00,042 copying src/mlatom/MLatomF_src/cs.cpp -> build/lib/mlatom/MLatomF_src 2026-06-25T04:48:00,045 copying src/mlatom/MLatomF_src/optionsModule.f90 -> build/lib/mlatom/MLatomF_src 2026-06-25T04:48:00,049 copying src/mlatom/MLatomF_src/D_ID.f90 -> build/lib/mlatom/MLatomF_src 2026-06-25T04:48:00,051 copying src/mlatom/MLatomF_src/D_rel2eq.f90 -> build/lib/mlatom/MLatomF_src 2026-06-25T04:48:00,054 copying src/mlatom/MLatomF_src/A_KRR_kernel.f90 -> build/lib/mlatom/MLatomF_src 2026-06-25T04:48:00,058 copying src/mlatom/MLatomF_src/timing.f90 -> build/lib/mlatom/MLatomF_src 2026-06-25T04:48:00,060 copying src/mlatom/MLatomF_src/statistics.f90 -> build/lib/mlatom/MLatomF_src 2026-06-25T04:48:00,063 copying src/mlatom/MLatomF_src/stopper.f90 -> build/lib/mlatom/MLatomF_src 2026-06-25T04:48:00,065 copying src/mlatom/MLatomF_src/constants.f90 -> build/lib/mlatom/MLatomF_src 2026-06-25T04:48:00,068 copying src/mlatom/MLatomF_src/sampling.f90 -> build/lib/mlatom/MLatomF_src 2026-06-25T04:48:00,070 copying src/mlatom/MLatomF_src/MLmodel.f90 -> build/lib/mlatom/MLatomF_src 2026-06-25T04:48:00,075 copying src/mlatom/MLatomF_src/types.f90 -> build/lib/mlatom/MLatomF_src 2026-06-25T04:48:00,078 copying src/mlatom/MLatomF_src/analyze.f90 -> build/lib/mlatom/MLatomF_src 2026-06-25T04:48:00,081 copying src/mlatom/MLatomF_src/molDescr.f90 -> build/lib/mlatom/MLatomF_src 2026-06-25T04:48:00,084 copying src/mlatom/MLatomF_src/mathUtils.f90 -> build/lib/mlatom/MLatomF_src 2026-06-25T04:48:00,087 copying src/mlatom/MLatomF_src/precision.f90 -> build/lib/mlatom/MLatomF_src 2026-06-25T04:48:00,089 copying src/mlatom/MLatomF_src/MLatomFInfo.f90 -> build/lib/mlatom/MLatomF_src 2026-06-25T04:48:00,091 copying src/mlatom/MLatomF_src/dataset.f90 -> build/lib/mlatom/MLatomF_src 2026-06-25T04:48:00,095 copying src/mlatom/MLatomF_src/A_KRR.f90 -> build/lib/mlatom/MLatomF_src 2026-06-25T04:48:00,099 copying src/mlatom/MLatomF_src/strings.f90 -> build/lib/mlatom/MLatomF_src 2026-06-25T04:48:00,101 copying src/mlatom/MLatomF_src/MLatomF.f90 -> build/lib/mlatom/MLatomF_src 2026-06-25T04:48:00,104 copying src/mlatom/MLatomF_src/D_CoulombMatrix.f90 -> build/lib/mlatom/MLatomF_src 2026-06-25T04:48:00,107 copying src/mlatom/MLatomF_src/Makefile -> build/lib/mlatom/MLatomF_src 2026-06-25T04:48:00,109 copying src/mlatom/MLatomF_src/Makefile.intel -> build/lib/mlatom/MLatomF_src 2026-06-25T04:48:00,111 copying src/mlatom/MLatomF_src/recover.sh -> build/lib/mlatom/MLatomF_src 2026-06-25T04:48:00,114 copying src/mlatom/interfaces/xtb -> build/lib/mlatom/interfaces 2026-06-25T04:48:01,080 copying src/mlatom/fortran/stopper.f90 -> build/lib/mlatom/fortran 2026-06-25T04:48:01,083 copying src/mlatom/fortran/KREG.f90 -> build/lib/mlatom/fortran 2026-06-25T04:48:01,086 copying src/mlatom/fortran/mathUtils.f90 -> build/lib/mlatom/fortran 2026-06-25T04:48:01,089 copying src/mlatom/julia/krr.jl -> build/lib/mlatom/julia 2026-06-25T04:48:01,091 copying src/mlatom/julia/mathUtils.jl -> build/lib/mlatom/julia 2026-06-25T04:48:01,094 copying src/mlatom/julia/kernel_function.jl -> build/lib/mlatom/julia 2026-06-25T04:48:01,096 copying src/mlatom/julia/stopper.jl -> build/lib/mlatom/julia 2026-06-25T04:48:01,098 copying src/mlatom/julia/KREG.jl -> build/lib/mlatom/julia 2026-06-25T04:48:01,101 copying src/mlatom/fortran/np2/KREG.so -> build/lib/mlatom/fortran/np2 2026-06-25T04:48:01,122 copying src/mlatom/fortran/np1/KREG.so -> build/lib/mlatom/fortran/np1 2026-06-25T04:48:01,146 copying src/mlatom/mlatom_models/aiqm1_model/cv1.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-25T04:48:01,179 copying src/mlatom/mlatom_models/aiqm1_model/cv2.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-25T04:48:01,208 copying src/mlatom/mlatom_models/aiqm1_model/cv7.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-25T04:48:01,307 copying src/mlatom/mlatom_models/aiqm1_model/cv6.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-25T04:48:01,334 copying src/mlatom/mlatom_models/aiqm1_model/cv4.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-25T04:48:01,366 copying src/mlatom/mlatom_models/aiqm1_model/cv0.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-25T04:48:01,404 copying src/mlatom/mlatom_models/aiqm1_model/cv3.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-25T04:48:01,441 copying src/mlatom/mlatom_models/aiqm1_model/cv5.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-25T04:48:01,476 copying src/mlatom/mlatom_models/aiqm2_model/cv1.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-25T04:48:01,522 copying src/mlatom/mlatom_models/aiqm2_model/cv2.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-25T04:48:01,594 copying src/mlatom/mlatom_models/aiqm2_model/cv7.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-25T04:48:01,636 copying src/mlatom/mlatom_models/aiqm2_model/cv6.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-25T04:48:01,867 copying src/mlatom/mlatom_models/aiqm2_model/cv4.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-25T04:48:01,959 copying src/mlatom/mlatom_models/aiqm2_model/cv0.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-25T04:48:02,045 copying src/mlatom/mlatom_models/aiqm2_model/cv3.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-25T04:48:02,092 copying src/mlatom/mlatom_models/aiqm2_model/cv5.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-25T04:48:02,166 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/cmd.py:90: SetuptoolsDeprecationWarning: setup.py install is deprecated. 2026-06-25T04:48:02,166 !! 2026-06-25T04:48:02,168 ******************************************************************************** 2026-06-25T04:48:02,168 Please avoid running ``setup.py`` directly. 2026-06-25T04:48:02,169 Instead, use pypa/build, pypa/installer or other 2026-06-25T04:48:02,169 standards-based tools. 2026-06-25T04:48:02,170 This deprecation is overdue, please update your project and remove deprecated 2026-06-25T04:48:02,171 calls to avoid build errors in the future. 2026-06-25T04:48:02,172 See https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.html for details. 2026-06-25T04:48:02,173 ******************************************************************************** 2026-06-25T04:48:02,174 !! 2026-06-25T04:48:02,174 self.initialize_options() 2026-06-25T04:48:02,197 installing to build/bdist.linux-armv7l/wheel 2026-06-25T04:48:02,197 running install 2026-06-25T04:48:02,223 running install_lib 2026-06-25T04:48:02,249 creating build/bdist.linux-armv7l/wheel 2026-06-25T04:48:02,252 creating build/bdist.linux-armv7l/wheel/mlatom 2026-06-25T04:48:02,254 copying build/lib/mlatom/aiqm1.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:02,257 copying build/lib/mlatom/ML_NEA.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:02,261 copying build/lib/mlatom/al_utils.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:02,267 copying build/lib/mlatom/conversions.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:02,270 creating build/bdist.linux-armv7l/wheel/mlatom/mltpa 2026-06-25T04:48:02,271 copying build/lib/mlatom/mltpa/mltpa2022_2_new_.pkl -> build/bdist.linux-armv7l/wheel/./mlatom/mltpa 2026-06-25T04:48:02,318 copying build/lib/mlatom/mltpa/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/mltpa 2026-06-25T04:48:02,320 copying build/lib/mlatom/mltpa/mltpa2022_2.pkl -> build/bdist.linux-armv7l/wheel/./mlatom/mltpa 2026-06-25T04:48:02,402 copying build/lib/mlatom/mltpa/mff.txt -> build/bdist.linux-armv7l/wheel/./mlatom/mltpa 2026-06-25T04:48:02,404 copying build/lib/mlatom/_version_static.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:02,406 copying build/lib/mlatom/_update_check.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:02,409 creating build/bdist.linux-armv7l/wheel/mlatom/MLatomF_src 2026-06-25T04:48:02,410 copying build/lib/mlatom/MLatomF_src/optionsModule.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-25T04:48:02,413 copying build/lib/mlatom/MLatomF_src/D_ID.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-25T04:48:02,415 copying build/lib/mlatom/MLatomF_src/D_rel2eq.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-25T04:48:02,418 copying build/lib/mlatom/MLatomF_src/A_KRR_kernel.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-25T04:48:02,421 copying build/lib/mlatom/MLatomF_src/timing.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-25T04:48:02,423 copying build/lib/mlatom/MLatomF_src/statistics.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-25T04:48:02,426 copying build/lib/mlatom/MLatomF_src/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-25T04:48:02,427 copying build/lib/mlatom/MLatomF_src/stopper.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-25T04:48:02,429 copying build/lib/mlatom/MLatomF_src/Makefile.intel -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-25T04:48:02,431 copying build/lib/mlatom/MLatomF_src/constants.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-25T04:48:02,432 copying build/lib/mlatom/MLatomF_src/sampling.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-25T04:48:02,434 copying build/lib/mlatom/MLatomF_src/Makefile -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-25T04:48:02,436 copying build/lib/mlatom/MLatomF_src/MLmodel.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-25T04:48:02,439 copying build/lib/mlatom/MLatomF_src/types.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-25T04:48:02,441 copying build/lib/mlatom/MLatomF_src/analyze.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-25T04:48:02,443 copying build/lib/mlatom/MLatomF_src/molDescr.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-25T04:48:02,445 copying build/lib/mlatom/MLatomF_src/cs.cpp -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-25T04:48:02,447 copying build/lib/mlatom/MLatomF_src/mathUtils.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-25T04:48:02,450 copying build/lib/mlatom/MLatomF_src/precision.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-25T04:48:02,452 copying build/lib/mlatom/MLatomF_src/MLatomFInfo.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-25T04:48:02,454 copying build/lib/mlatom/MLatomF_src/dataset.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-25T04:48:02,459 copying build/lib/mlatom/MLatomF_src/A_KRR.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-25T04:48:02,463 copying build/lib/mlatom/MLatomF_src/recover.sh -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-25T04:48:02,465 copying build/lib/mlatom/MLatomF_src/strings.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-25T04:48:02,467 copying build/lib/mlatom/MLatomF_src/MLatomF.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-25T04:48:02,470 copying build/lib/mlatom/MLatomF_src/D_CoulombMatrix.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-25T04:48:02,473 copying build/lib/mlatom/constants.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:02,476 creating build/bdist.linux-armv7l/wheel/mlatom/addons 2026-06-25T04:48:02,478 creating build/bdist.linux-armv7l/wheel/mlatom/addons/uaiqm 2026-06-25T04:48:02,479 copying build/lib/mlatom/addons/uaiqm/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/uaiqm 2026-06-25T04:48:02,481 copying build/lib/mlatom/addons/uaiqm/uaiqm.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/uaiqm 2026-06-25T04:48:02,483 copying build/lib/mlatom/addons/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons 2026-06-25T04:48:02,486 creating build/bdist.linux-armv7l/wheel/mlatom/addons/aiqm3 2026-06-25T04:48:02,487 copying build/lib/mlatom/addons/aiqm3/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/aiqm3 2026-06-25T04:48:02,489 copying build/lib/mlatom/addons/aiqm3/aiqm3.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/aiqm3 2026-06-25T04:48:02,492 creating build/bdist.linux-armv7l/wheel/mlatom/addons/omnip2x 2026-06-25T04:48:02,493 copying build/lib/mlatom/addons/omnip2x/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/omnip2x 2026-06-25T04:48:02,495 copying build/lib/mlatom/addons/omnip2x/re_state_input_net.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/omnip2x 2026-06-25T04:48:02,497 copying build/lib/mlatom/addons/omnip2x/vecmsani.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/omnip2x 2026-06-25T04:48:02,501 copying build/lib/mlatom/addons/omnip2x/omnip2x.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/omnip2x 2026-06-25T04:48:02,505 creating build/bdist.linux-armv7l/wheel/mlatom/interfaces 2026-06-25T04:48:02,507 copying build/lib/mlatom/interfaces/physnet_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-25T04:48:02,511 copying build/lib/mlatom/interfaces/sgdml_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-25T04:48:02,515 copying build/lib/mlatom/interfaces/dpmd_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-25T04:48:02,518 copying build/lib/mlatom/interfaces/dftbplus_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-25T04:48:02,521 copying build/lib/mlatom/interfaces/pyscf_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-25T04:48:02,524 copying build/lib/mlatom/interfaces/geometric_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-25T04:48:02,528 copying build/lib/mlatom/interfaces/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-25T04:48:02,530 copying build/lib/mlatom/interfaces/torchani_heavy_parts.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-25T04:48:02,533 copying build/lib/mlatom/interfaces/mace_methods_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-25T04:48:02,748 copying build/lib/mlatom/interfaces/dftd4_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-25T04:48:02,750 copying build/lib/mlatom/interfaces/mace_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-25T04:48:02,754 copying build/lib/mlatom/interfaces/turbomole_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-25T04:48:02,756 copying build/lib/mlatom/interfaces/gaussian_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-25T04:48:02,760 copying build/lib/mlatom/interfaces/dftd3_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-25T04:48:02,762 copying build/lib/mlatom/interfaces/columbus_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-25T04:48:02,765 copying build/lib/mlatom/interfaces/sparrow_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-25T04:48:02,767 copying build/lib/mlatom/interfaces/xtb -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-25T04:48:04,365 copying build/lib/mlatom/interfaces/xtb_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-25T04:48:04,368 copying build/lib/mlatom/interfaces/ase_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-25T04:48:04,370 copying build/lib/mlatom/interfaces/mndo_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-25T04:48:04,373 copying build/lib/mlatom/interfaces/aimnet2_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-25T04:48:04,375 copying build/lib/mlatom/interfaces/pysisyphus_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-25T04:48:04,377 copying build/lib/mlatom/interfaces/orca_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-25T04:48:04,380 copying build/lib/mlatom/interfaces/torchani_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-25T04:48:04,383 copying build/lib/mlatom/interfaces/gaussian_external.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-25T04:48:04,386 copying build/lib/mlatom/interfaces/gap_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-25T04:48:04,389 copying build/lib/mlatom/gen_ts_methods.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:04,391 creating build/bdist.linux-armv7l/wheel/mlatom/fortran 2026-06-25T04:48:04,392 copying build/lib/mlatom/fortran/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-06-25T04:48:04,394 copying build/lib/mlatom/fortran/stopper.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-06-25T04:48:04,396 creating build/bdist.linux-armv7l/wheel/mlatom/fortran/np2 2026-06-25T04:48:04,397 copying build/lib/mlatom/fortran/np2/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/fortran/np2 2026-06-25T04:48:04,399 copying build/lib/mlatom/fortran/np2/KREG.so -> build/bdist.linux-armv7l/wheel/./mlatom/fortran/np2 2026-06-25T04:48:04,418 copying build/lib/mlatom/fortran/KREG.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-06-25T04:48:04,421 copying build/lib/mlatom/fortran/compile.py -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-06-25T04:48:04,423 copying build/lib/mlatom/fortran/mathUtils.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-06-25T04:48:04,426 creating build/bdist.linux-armv7l/wheel/mlatom/fortran/np1 2026-06-25T04:48:04,427 copying build/lib/mlatom/fortran/np1/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/fortran/np1 2026-06-25T04:48:04,429 copying build/lib/mlatom/fortran/np1/KREG.so -> build/bdist.linux-armv7l/wheel/./mlatom/fortran/np1 2026-06-25T04:48:04,456 copying build/lib/mlatom/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:04,458 copying build/lib/mlatom/namd.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:04,461 copying build/lib/mlatom/decorators.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:04,463 copying build/lib/mlatom/args_class.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:04,466 copying build/lib/mlatom/ref.json -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:04,468 copying build/lib/mlatom/models.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:04,471 copying build/lib/mlatom/EEEDDDD_nn.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:04,474 copying build/lib/mlatom/al.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:04,476 copying build/lib/mlatom/gap_md.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:04,479 copying build/lib/mlatom/GICnet.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:04,482 copying build/lib/mlatom/ccsdtstarcbs.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:04,484 copying build/lib/mlatom/MLatom.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:04,487 copying build/lib/mlatom/cs.so -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:04,489 copying build/lib/mlatom/xyz.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:04,492 copying build/lib/mlatom/md2vibr.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:04,494 creating build/bdist.linux-armv7l/wheel/mlatom/mlatom_models 2026-06-25T04:48:04,496 copying build/lib/mlatom/mlatom_models/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models 2026-06-25T04:48:04,498 creating build/bdist.linux-armv7l/wheel/mlatom/mlatom_models/aiqm1_model 2026-06-25T04:48:04,499 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv1.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-25T04:48:04,531 copying build/lib/mlatom/mlatom_models/aiqm1_model/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-25T04:48:04,533 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv2.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-25T04:48:04,560 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv7.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-25T04:48:04,588 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv6.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-25T04:48:04,617 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv4.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-25T04:48:04,647 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv0.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-25T04:48:04,677 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv3.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-25T04:48:04,706 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv5.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-25T04:48:04,737 creating build/bdist.linux-armv7l/wheel/mlatom/mlatom_models/aiqm2_model 2026-06-25T04:48:04,739 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv1.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-25T04:48:04,793 copying build/lib/mlatom/mlatom_models/aiqm2_model/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-25T04:48:04,795 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv2.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-25T04:48:04,834 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv7.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-25T04:48:04,875 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv6.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-25T04:48:04,920 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv4.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-25T04:48:04,959 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv0.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-25T04:48:05,010 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv3.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-25T04:48:05,051 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv5.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-25T04:48:05,094 copying build/lib/mlatom/md_parallel.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,097 copying build/lib/mlatom/composite_methods.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,099 copying build/lib/mlatom/EEEDDDD_descriptor.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,102 copying build/lib/mlatom/kreg_api.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,104 copying build/lib/mlatom/_version.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,107 copying build/lib/mlatom/irc.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,110 copying build/lib/mlatom/MLTPA.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,112 copying build/lib/mlatom/stats.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,115 copying build/lib/mlatom/data.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,120 copying build/lib/mlatom/krr_julia.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,123 copying build/lib/mlatom/ciopt.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,126 copying build/lib/mlatom/interface_MLatomF.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,128 copying build/lib/mlatom/stopper.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,131 copying build/lib/mlatom/shell_cmd.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,132 copying build/lib/mlatom/utils.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,135 copying build/lib/mlatom/plot.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,137 copying build/lib/mlatom/omnip1_nn.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,140 copying build/lib/mlatom/md_cmd.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,143 copying build/lib/mlatom/md.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,145 copying build/lib/mlatom/mlatom_gui.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,149 copying build/lib/mlatom/sliceData.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,152 copying build/lib/mlatom/EEEDDDD.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,155 copying build/lib/mlatom/spectra.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,160 copying build/lib/mlatom/md2vibr_cmd.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,162 copying build/lib/mlatom/omnip1.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,165 copying build/lib/mlatom/initial_conditions.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,168 copying build/lib/mlatom/header.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,170 copying build/lib/mlatom/MLtasks.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,174 copying build/lib/mlatom/thermostat.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,176 copying build/lib/mlatom/functionsGICnet.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,180 copying build/lib/mlatom/doc.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,183 copying build/lib/mlatom/log.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,185 copying build/lib/mlatom/model_cls.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,188 copying build/lib/mlatom/MLatomF -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,431 creating build/bdist.linux-armv7l/wheel/mlatom/julia 2026-06-25T04:48:05,433 copying build/lib/mlatom/julia/kreg_julia.py -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-06-25T04:48:05,436 copying build/lib/mlatom/julia/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-06-25T04:48:05,437 copying build/lib/mlatom/julia/krr.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-06-25T04:48:05,440 copying build/lib/mlatom/julia/mathUtils.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-06-25T04:48:05,442 copying build/lib/mlatom/julia/kernel_function.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-06-25T04:48:05,444 copying build/lib/mlatom/julia/stopper.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-06-25T04:48:05,446 copying build/lib/mlatom/julia/KREG.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-06-25T04:48:05,449 copying build/lib/mlatom/aiqm2.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,452 copying build/lib/mlatom/simulations.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,456 copying build/lib/mlatom/dens.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-25T04:48:05,459 running install_egg_info 2026-06-25T04:48:05,495 running egg_info 2026-06-25T04:48:05,521 writing src/mlatom.egg-info/PKG-INFO 2026-06-25T04:48:05,525 writing dependency_links to src/mlatom.egg-info/dependency_links.txt 2026-06-25T04:48:05,526 writing entry points to src/mlatom.egg-info/entry_points.txt 2026-06-25T04:48:05,528 writing requirements to src/mlatom.egg-info/requires.txt 2026-06-25T04:48:05,529 writing top-level names to src/mlatom.egg-info/top_level.txt 2026-06-25T04:48:05,646 reading manifest file 'src/mlatom.egg-info/SOURCES.txt' 2026-06-25T04:48:05,657 adding license file 'LICENSE.txt' 2026-06-25T04:48:05,665 writing manifest file 'src/mlatom.egg-info/SOURCES.txt' 2026-06-25T04:48:05,667 Copying src/mlatom.egg-info to build/bdist.linux-armv7l/wheel/./mlatom-3.23.1-py3.11.egg-info 2026-06-25T04:48:05,679 running install_scripts 2026-06-25T04:48:05,692 creating build/bdist.linux-armv7l/wheel/mlatom-3.23.1.dist-info/WHEEL 2026-06-25T04:48:05,695 creating '/tmp/pip-wheel-2e312s4i/mlatom-3.23.1-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2026-06-25T04:48:05,702 adding 'mlatom/EEEDDDD.py' 2026-06-25T04:48:05,704 adding 'mlatom/EEEDDDD_descriptor.py' 2026-06-25T04:48:05,706 adding 'mlatom/EEEDDDD_nn.py' 2026-06-25T04:48:05,710 adding 'mlatom/GICnet.py' 2026-06-25T04:48:05,713 adding 'mlatom/MLTPA.py' 2026-06-25T04:48:05,727 adding 'mlatom/ML_NEA.py' 2026-06-25T04:48:05,730 adding 'mlatom/MLatom.py' 2026-06-25T04:48:08,303 adding 'mlatom/MLatomF' 2026-06-25T04:48:08,405 adding 'mlatom/MLtasks.py' 2026-06-25T04:48:08,406 adding 'mlatom/__init__.py' 2026-06-25T04:48:08,408 adding 'mlatom/_update_check.py' 2026-06-25T04:48:08,409 adding 'mlatom/_version.py' 2026-06-25T04:48:08,410 adding 'mlatom/_version_static.py' 2026-06-25T04:48:08,412 adding 'mlatom/aiqm1.py' 2026-06-25T04:48:08,414 adding 'mlatom/aiqm2.py' 2026-06-25T04:48:08,418 adding 'mlatom/al.py' 2026-06-25T04:48:08,429 adding 'mlatom/al_utils.py' 2026-06-25T04:48:08,433 adding 'mlatom/args_class.py' 2026-06-25T04:48:08,435 adding 'mlatom/ccsdtstarcbs.py' 2026-06-25T04:48:08,436 adding 'mlatom/ciopt.py' 2026-06-25T04:48:08,438 adding 'mlatom/composite_methods.py' 2026-06-25T04:48:08,439 adding 'mlatom/constants.py' 2026-06-25T04:48:08,440 adding 'mlatom/conversions.py' 2026-06-25T04:48:08,443 adding 'mlatom/cs.so' 2026-06-25T04:48:08,460 adding 'mlatom/data.py' 2026-06-25T04:48:08,463 adding 'mlatom/decorators.py' 2026-06-25T04:48:08,467 adding 'mlatom/dens.py' 2026-06-25T04:48:08,472 adding 'mlatom/doc.py' 2026-06-25T04:48:08,476 adding 'mlatom/functionsGICnet.py' 2026-06-25T04:48:08,478 adding 'mlatom/gap_md.py' 2026-06-25T04:48:08,480 adding 'mlatom/gen_ts_methods.py' 2026-06-25T04:48:08,481 adding 'mlatom/header.py' 2026-06-25T04:48:08,485 adding 'mlatom/initial_conditions.py' 2026-06-25T04:48:08,487 adding 'mlatom/interface_MLatomF.py' 2026-06-25T04:48:08,492 adding 'mlatom/irc.py' 2026-06-25T04:48:08,493 adding 'mlatom/kreg_api.py' 2026-06-25T04:48:08,495 adding 'mlatom/krr_julia.py' 2026-06-25T04:48:08,496 adding 'mlatom/log.py' 2026-06-25T04:48:08,498 adding 'mlatom/md.py' 2026-06-25T04:48:08,500 adding 'mlatom/md2vibr.py' 2026-06-25T04:48:08,502 adding 'mlatom/md2vibr_cmd.py' 2026-06-25T04:48:08,504 adding 'mlatom/md_cmd.py' 2026-06-25T04:48:08,506 adding 'mlatom/md_parallel.py' 2026-06-25T04:48:08,513 adding 'mlatom/mlatom_gui.py' 2026-06-25T04:48:08,519 adding 'mlatom/model_cls.py' 2026-06-25T04:48:08,523 adding 'mlatom/models.py' 2026-06-25T04:48:08,530 adding 'mlatom/namd.py' 2026-06-25T04:48:08,532 adding 'mlatom/omnip1.py' 2026-06-25T04:48:08,534 adding 'mlatom/omnip1_nn.py' 2026-06-25T04:48:08,535 adding 'mlatom/plot.py' 2026-06-25T04:48:08,537 adding 'mlatom/ref.json' 2026-06-25T04:48:08,538 adding 'mlatom/shell_cmd.py' 2026-06-25T04:48:08,544 adding 'mlatom/simulations.py' 2026-06-25T04:48:08,547 adding 'mlatom/sliceData.py' 2026-06-25T04:48:08,552 adding 'mlatom/spectra.py' 2026-06-25T04:48:08,554 adding 'mlatom/stats.py' 2026-06-25T04:48:08,555 adding 'mlatom/stopper.py' 2026-06-25T04:48:08,557 adding 'mlatom/thermostat.py' 2026-06-25T04:48:08,559 adding 'mlatom/utils.py' 2026-06-25T04:48:08,561 adding 'mlatom/xyz.py' 2026-06-25T04:48:08,568 adding 'mlatom/MLatomF_src/A_KRR.f90' 2026-06-25T04:48:08,575 adding 'mlatom/MLatomF_src/A_KRR_kernel.f90' 2026-06-25T04:48:08,577 adding 'mlatom/MLatomF_src/D_CoulombMatrix.f90' 2026-06-25T04:48:08,578 adding 'mlatom/MLatomF_src/D_ID.f90' 2026-06-25T04:48:08,580 adding 'mlatom/MLatomF_src/D_rel2eq.f90' 2026-06-25T04:48:08,581 adding 'mlatom/MLatomF_src/MLatomF.f90' 2026-06-25T04:48:08,583 adding 'mlatom/MLatomF_src/MLatomFInfo.f90' 2026-06-25T04:48:08,586 adding 'mlatom/MLatomF_src/MLmodel.f90' 2026-06-25T04:48:08,588 adding 'mlatom/MLatomF_src/Makefile' 2026-06-25T04:48:08,589 adding 'mlatom/MLatomF_src/Makefile.intel' 2026-06-25T04:48:08,590 adding 'mlatom/MLatomF_src/__init__.py' 2026-06-25T04:48:08,591 adding 'mlatom/MLatomF_src/analyze.f90' 2026-06-25T04:48:08,592 adding 'mlatom/MLatomF_src/constants.f90' 2026-06-25T04:48:08,593 adding 'mlatom/MLatomF_src/cs.cpp' 2026-06-25T04:48:08,600 adding 'mlatom/MLatomF_src/dataset.f90' 2026-06-25T04:48:08,603 adding 'mlatom/MLatomF_src/mathUtils.f90' 2026-06-25T04:48:08,605 adding 'mlatom/MLatomF_src/molDescr.f90' 2026-06-25T04:48:08,611 adding 'mlatom/MLatomF_src/optionsModule.f90' 2026-06-25T04:48:08,613 adding 'mlatom/MLatomF_src/precision.f90' 2026-06-25T04:48:08,614 adding 'mlatom/MLatomF_src/recover.sh' 2026-06-25T04:48:08,616 adding 'mlatom/MLatomF_src/sampling.f90' 2026-06-25T04:48:08,618 adding 'mlatom/MLatomF_src/statistics.f90' 2026-06-25T04:48:08,619 adding 'mlatom/MLatomF_src/stopper.f90' 2026-06-25T04:48:08,620 adding 'mlatom/MLatomF_src/strings.f90' 2026-06-25T04:48:08,622 adding 'mlatom/MLatomF_src/timing.f90' 2026-06-25T04:48:08,623 adding 'mlatom/MLatomF_src/types.f90' 2026-06-25T04:48:08,625 adding 'mlatom/addons/__init__.py' 2026-06-25T04:48:08,626 adding 'mlatom/addons/aiqm3/__init__.py' 2026-06-25T04:48:08,627 adding 'mlatom/addons/aiqm3/aiqm3.py' 2026-06-25T04:48:08,629 adding 'mlatom/addons/omnip2x/__init__.py' 2026-06-25T04:48:08,631 adding 'mlatom/addons/omnip2x/omnip2x.py' 2026-06-25T04:48:08,633 adding 'mlatom/addons/omnip2x/re_state_input_net.py' 2026-06-25T04:48:08,637 adding 'mlatom/addons/omnip2x/vecmsani.py' 2026-06-25T04:48:08,639 adding 'mlatom/addons/uaiqm/__init__.py' 2026-06-25T04:48:08,641 adding 'mlatom/addons/uaiqm/uaiqm.py' 2026-06-25T04:48:08,644 adding 'mlatom/fortran/KREG.f90' 2026-06-25T04:48:08,645 adding 'mlatom/fortran/__init__.py' 2026-06-25T04:48:08,647 adding 'mlatom/fortran/compile.py' 2026-06-25T04:48:08,648 adding 'mlatom/fortran/mathUtils.f90' 2026-06-25T04:48:08,649 adding 'mlatom/fortran/stopper.f90' 2026-06-25T04:48:08,816 adding 'mlatom/fortran/np1/KREG.so' 2026-06-25T04:48:08,824 adding 'mlatom/fortran/np1/__init__.py' 2026-06-25T04:48:08,990 adding 'mlatom/fortran/np2/KREG.so' 2026-06-25T04:48:08,998 adding 'mlatom/fortran/np2/__init__.py' 2026-06-25T04:48:09,001 adding 'mlatom/interfaces/__init__.py' 2026-06-25T04:48:09,002 adding 'mlatom/interfaces/aimnet2_interface.py' 2026-06-25T04:48:09,004 adding 'mlatom/interfaces/ase_interface.py' 2026-06-25T04:48:09,006 adding 'mlatom/interfaces/columbus_interface.py' 2026-06-25T04:48:09,009 adding 'mlatom/interfaces/dftbplus_interface.py' 2026-06-25T04:48:09,010 adding 'mlatom/interfaces/dftd3_interface.py' 2026-06-25T04:48:09,012 adding 'mlatom/interfaces/dftd4_interface.py' 2026-06-25T04:48:09,014 adding 'mlatom/interfaces/dpmd_interface.py' 2026-06-25T04:48:09,016 adding 'mlatom/interfaces/gap_interface.py' 2026-06-25T04:48:09,018 adding 'mlatom/interfaces/gaussian_external.py' 2026-06-25T04:48:09,024 adding 'mlatom/interfaces/gaussian_interface.py' 2026-06-25T04:48:09,026 adding 'mlatom/interfaces/geometric_interface.py' 2026-06-25T04:48:09,030 adding 'mlatom/interfaces/mace_interface.py' 2026-06-25T04:48:09,032 adding 'mlatom/interfaces/mace_methods_interface.py' 2026-06-25T04:48:09,035 adding 'mlatom/interfaces/mndo_interface.py' 2026-06-25T04:48:09,040 adding 'mlatom/interfaces/orca_interface.py' 2026-06-25T04:48:09,045 adding 'mlatom/interfaces/physnet_interface.py' 2026-06-25T04:48:09,048 adding 'mlatom/interfaces/pyscf_interface.py' 2026-06-25T04:48:09,050 adding 'mlatom/interfaces/pysisyphus_interface.py' 2026-06-25T04:48:09,054 adding 'mlatom/interfaces/sgdml_interface.py' 2026-06-25T04:48:09,056 adding 'mlatom/interfaces/sparrow_interface.py' 2026-06-25T04:48:09,057 adding 'mlatom/interfaces/torchani_heavy_parts.py' 2026-06-25T04:48:09,069 adding 'mlatom/interfaces/torchani_interface.py' 2026-06-25T04:48:09,072 adding 'mlatom/interfaces/turbomole_interface.py' 2026-06-25T04:48:17,182 adding 'mlatom/interfaces/xtb' 2026-06-25T04:48:17,577 adding 'mlatom/interfaces/xtb_interface.py' 2026-06-25T04:48:17,579 adding 'mlatom/julia/KREG.jl' 2026-06-25T04:48:17,580 adding 'mlatom/julia/__init__.py' 2026-06-25T04:48:17,581 adding 'mlatom/julia/kernel_function.jl' 2026-06-25T04:48:17,583 adding 'mlatom/julia/kreg_julia.py' 2026-06-25T04:48:17,584 adding 'mlatom/julia/krr.jl' 2026-06-25T04:48:17,586 adding 'mlatom/julia/mathUtils.jl' 2026-06-25T04:48:17,587 adding 'mlatom/julia/stopper.jl' 2026-06-25T04:48:17,588 adding 'mlatom/mlatom_models/__init__.py' 2026-06-25T04:48:17,590 adding 'mlatom/mlatom_models/aiqm1_model/__init__.py' 2026-06-25T04:48:17,847 adding 'mlatom/mlatom_models/aiqm1_model/cv0.pt' 2026-06-25T04:48:18,115 adding 'mlatom/mlatom_models/aiqm1_model/cv1.pt' 2026-06-25T04:48:18,384 adding 'mlatom/mlatom_models/aiqm1_model/cv2.pt' 2026-06-25T04:48:18,652 adding 'mlatom/mlatom_models/aiqm1_model/cv3.pt' 2026-06-25T04:48:18,920 adding 'mlatom/mlatom_models/aiqm1_model/cv4.pt' 2026-06-25T04:48:19,188 adding 'mlatom/mlatom_models/aiqm1_model/cv5.pt' 2026-06-25T04:48:19,457 adding 'mlatom/mlatom_models/aiqm1_model/cv6.pt' 2026-06-25T04:48:19,725 adding 'mlatom/mlatom_models/aiqm1_model/cv7.pt' 2026-06-25T04:48:19,738 adding 'mlatom/mlatom_models/aiqm2_model/__init__.py' 2026-06-25T04:48:20,119 adding 'mlatom/mlatom_models/aiqm2_model/cv0.pt' 2026-06-25T04:48:20,517 adding 'mlatom/mlatom_models/aiqm2_model/cv1.pt' 2026-06-25T04:48:20,914 adding 'mlatom/mlatom_models/aiqm2_model/cv2.pt' 2026-06-25T04:48:21,311 adding 'mlatom/mlatom_models/aiqm2_model/cv3.pt' 2026-06-25T04:48:21,709 adding 'mlatom/mlatom_models/aiqm2_model/cv4.pt' 2026-06-25T04:48:22,106 adding 'mlatom/mlatom_models/aiqm2_model/cv5.pt' 2026-06-25T04:48:22,524 adding 'mlatom/mlatom_models/aiqm2_model/cv6.pt' 2026-06-25T04:48:22,926 adding 'mlatom/mlatom_models/aiqm2_model/cv7.pt' 2026-06-25T04:48:22,969 adding 'mlatom/mltpa/__init__.py' 2026-06-25T04:48:22,972 adding 'mlatom/mltpa/mff.txt' 2026-06-25T04:48:23,573 adding 'mlatom/mltpa/mltpa2022_2.pkl' 2026-06-25T04:48:23,951 adding 'mlatom/mltpa/mltpa2022_2_new_.pkl' 2026-06-25T04:48:23,968 adding 'mlatom-3.23.1.dist-info/licenses/LICENSE.txt' 2026-06-25T04:48:23,970 adding 'mlatom-3.23.1.dist-info/METADATA' 2026-06-25T04:48:23,971 adding 'mlatom-3.23.1.dist-info/WHEEL' 2026-06-25T04:48:23,972 adding 'mlatom-3.23.1.dist-info/entry_points.txt' 2026-06-25T04:48:23,973 adding 'mlatom-3.23.1.dist-info/top_level.txt' 2026-06-25T04:48:23,975 adding 'mlatom-3.23.1.dist-info/RECORD' 2026-06-25T04:48:24,529 removing build/bdist.linux-armv7l/wheel 2026-06-25T04:48:24,706 Building wheel for mlatom (setup.py): finished with status 'done' 2026-06-25T04:48:25,315 Created wheel for mlatom: filename=mlatom-3.23.1-py3-none-any.whl size=61825413 sha256=8c409173db8567a42bd545c2da202aec3d267698c46550866274fff11cdfb79c 2026-06-25T04:48:25,316 Stored in directory: /tmp/pip-ephem-wheel-cache-51dv3jum/wheels/39/23/d8/cba993b513475689fb743da009f3d2ea68945c5c66d3e5835d 2026-06-25T04:48:25,350 Successfully built mlatom 2026-06-25T04:48:26,790 Removed build tracker: '/tmp/pip-build-tracker-uthzbnly'