2026-06-27T06:12:39,350 Created temporary directory: /tmp/pip-ephem-wheel-cache-87n6y3ay 2026-06-27T06:12:39,352 Created temporary directory: /tmp/pip-build-tracker-78hiutzf 2026-06-27T06:12:39,352 Initialized build tracking at /tmp/pip-build-tracker-78hiutzf 2026-06-27T06:12:39,353 Created build tracker: /tmp/pip-build-tracker-78hiutzf 2026-06-27T06:12:39,353 Entered build tracker: /tmp/pip-build-tracker-78hiutzf 2026-06-27T06:12:39,354 Created temporary directory: /tmp/pip-wheel-b7zjsx69 2026-06-27T06:12:39,357 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 2026-06-27T06:12:39,359 Created temporary directory: /tmp/pip-ephem-wheel-cache-7bpekjkz 2026-06-27T06:12:39,381 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2026-06-27T06:12:39,385 2 location(s) to search for versions of mlatom: 2026-06-27T06:12:39,385 * https://pypi.org/simple/mlatom/ 2026-06-27T06:12:39,385 * https://www.piwheels.org/simple/mlatom/ 2026-06-27T06:12:39,386 Fetching project page and analyzing links: https://pypi.org/simple/mlatom/ 2026-06-27T06:12:39,386 Getting page https://pypi.org/simple/mlatom/ 2026-06-27T06:12:39,388 Found index url https://pypi.org/simple 2026-06-27T06:12:39,641 Fetched page https://pypi.org/simple/mlatom/ as application/vnd.pypi.simple.v1+json 2026-06-27T06:12:39,662 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 2026-06-27T06:12:39,663 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 2026-06-27T06:12:39,664 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 2026-06-27T06:12:39,665 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) 2026-06-27T06:12:39,666 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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2026-06-27T06:12:39,673 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 2026-06-27T06:12:39,674 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) 2026-06-27T06:12:39,675 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 2026-06-27T06:12:39,675 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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https://pypi.org/simple/mlatom/) (requires-python:>=3.8), version: 3.23.3 2026-06-27T06:12:39,761 Fetching project page and analyzing links: https://www.piwheels.org/simple/mlatom/ 2026-06-27T06:12:39,762 Getting page https://www.piwheels.org/simple/mlatom/ 2026-06-27T06:12:39,763 Found index url https://www.piwheels.org/simple 2026-06-27T06:12:40,077 Fetched page https://www.piwheels.org/simple/mlatom/ as text/html 2026-06-27T06:12:40,093 Skipping link: No binaries permitted for mlatom: https://www.piwheels.org/simple/mlatom/mlatom-3.23.2-py3-none-any.whl#sha256=7fa12ca101db29c766db8ed6a6ad6dcb903363a1b8134a76b9573aceebe72c49 (from https://www.piwheels.org/simple/mlatom/) (requires-python:>=3.8) 2026-06-27T06:12:40,094 Skipping link: No binaries permitted for mlatom: https://www.piwheels.org/simple/mlatom/mlatom-3.23.1-py3-none-any.whl#sha256=8c409173db8567a42bd545c2da202aec3d267698c46550866274fff11cdfb79c (from https://www.piwheels.org/simple/mlatom/) (requires-python:>=3.8) 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https://archive1.piwheels.org/simple/mlatom/MLatom-2.0.5-py3-none-any.whl#sha256=99be07c81afd67d8b018cd28f4f9a333a11e44cac095543690132cb8fc3ab5f6 (from https://www.piwheels.org/simple/mlatom/) (requires-python:>=3.7) 2026-06-27T06:12:40,120 Skipping link: No binaries permitted for mlatom: https://archive1.piwheels.org/simple/mlatom/MLatom-2.0.4-py3-none-any.whl#sha256=d86d424cf8f8dcb3f19684e1312f1e26f9a92eed8acbfc5106105f135fccc548 (from https://www.piwheels.org/simple/mlatom/) (requires-python:>=3.7) 2026-06-27T06:12:40,121 Skipping link: No binaries permitted for mlatom: https://archive1.piwheels.org/simple/mlatom/MLatom-2.0.3-py3-none-any.whl#sha256=e30f21182de2cba5f6f2006d80601751ccc974e7bd1074b8fd93edc8938259d9 (from https://www.piwheels.org/simple/mlatom/) (requires-python:>=3.7) 2026-06-27T06:12:40,122 Skipping link: No binaries permitted for mlatom: https://archive1.piwheels.org/simple/mlatom/MLatom-2.0.2-py3-none-any.whl#sha256=f670bbf50157338f65347b637f759f980f2b1a02c7e70ffcc5e90506b3e013b4 (from https://www.piwheels.org/simple/mlatom/) (requires-python:>=3.7) 2026-06-27T06:12:40,122 Skipping link: No binaries permitted for mlatom: 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) 2026-06-27T06:12:40,123 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) 2026-06-27T06:12:40,123 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) 2026-06-27T06:12:40,124 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) 2026-06-27T06:12:40,124 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) 2026-06-27T06:12:40,125 Skipping link: not a file: https://www.piwheels.org/simple/mlatom/ 2026-06-27T06:12:40,126 Skipping link: not a file: https://pypi.org/simple/mlatom/ 2026-06-27T06:12:40,150 Given no hashes to check 1 links for project 'mlatom': discarding no candidates 2026-06-27T06:12:40,168 Collecting mlatom==3.23.3 2026-06-27T06:12:40,170 Created temporary directory: /tmp/pip-unpack-b4y6ow47 2026-06-27T06:12:40,497 Downloading mlatom-3.23.3.tar.gz (61.6 MB) 2026-06-27T06:12:53,938 Added mlatom==3.23.3 from https://files.pythonhosted.org/packages/4e/ec/0624119a4d4d50f1fc0fad76974c70cb73b5f9dbbd364eb81df717b3e994/mlatom-3.23.3.tar.gz to build tracker '/tmp/pip-build-tracker-78hiutzf' 2026-06-27T06:12:53,940 Running setup.py (path:/tmp/pip-wheel-b7zjsx69/mlatom_2b05fb5fd7fd4030a6ce4ee8a71a6628/setup.py) egg_info for package mlatom 2026-06-27T06:12:53,941 Created temporary directory: /tmp/pip-pip-egg-info-4ba_fu4k 2026-06-27T06:12:53,941 Preparing metadata (setup.py): started 2026-06-27T06:12:53,943 Running command python setup.py egg_info 2026-06-27T06:12:54,868 running egg_info 2026-06-27T06:12:54,895 creating /tmp/pip-pip-egg-info-4ba_fu4k/mlatom.egg-info 2026-06-27T06:12:54,896 writing /tmp/pip-pip-egg-info-4ba_fu4k/mlatom.egg-info/PKG-INFO 2026-06-27T06:12:54,899 writing dependency_links to /tmp/pip-pip-egg-info-4ba_fu4k/mlatom.egg-info/dependency_links.txt 2026-06-27T06:12:54,901 writing entry points to /tmp/pip-pip-egg-info-4ba_fu4k/mlatom.egg-info/entry_points.txt 2026-06-27T06:12:54,902 writing requirements to /tmp/pip-pip-egg-info-4ba_fu4k/mlatom.egg-info/requires.txt 2026-06-27T06:12:54,903 writing top-level names to /tmp/pip-pip-egg-info-4ba_fu4k/mlatom.egg-info/top_level.txt 2026-06-27T06:12:54,905 writing manifest file '/tmp/pip-pip-egg-info-4ba_fu4k/mlatom.egg-info/SOURCES.txt' 2026-06-27T06:12:55,080 reading manifest file '/tmp/pip-pip-egg-info-4ba_fu4k/mlatom.egg-info/SOURCES.txt' 2026-06-27T06:12:55,082 adding license file 'LICENSE.txt' 2026-06-27T06:12:55,089 writing manifest file '/tmp/pip-pip-egg-info-4ba_fu4k/mlatom.egg-info/SOURCES.txt' 2026-06-27T06:12:55,199 Preparing metadata (setup.py): finished with status 'done' 2026-06-27T06:12:55,203 Source in /tmp/pip-wheel-b7zjsx69/mlatom_2b05fb5fd7fd4030a6ce4ee8a71a6628 has version 3.23.3, which satisfies requirement mlatom==3.23.3 from https://files.pythonhosted.org/packages/4e/ec/0624119a4d4d50f1fc0fad76974c70cb73b5f9dbbd364eb81df717b3e994/mlatom-3.23.3.tar.gz 2026-06-27T06:12:55,204 Removed mlatom==3.23.3 from https://files.pythonhosted.org/packages/4e/ec/0624119a4d4d50f1fc0fad76974c70cb73b5f9dbbd364eb81df717b3e994/mlatom-3.23.3.tar.gz from build tracker '/tmp/pip-build-tracker-78hiutzf' 2026-06-27T06:12:55,211 Created temporary directory: /tmp/pip-unpack-jiwxk2i5 2026-06-27T06:12:55,211 Building wheels for collected packages: mlatom 2026-06-27T06:12:55,216 Created temporary directory: /tmp/pip-wheel-pas39o6z 2026-06-27T06:12:55,217 Building wheel for mlatom (setup.py): started 2026-06-27T06:12:55,218 Destination directory: /tmp/pip-wheel-pas39o6z 2026-06-27T06:12:55,219 Running command python setup.py bdist_wheel 2026-06-27T06:12:56,075 running bdist_wheel 2026-06-27T06:12:56,210 running build 2026-06-27T06:12:56,211 running build_py 2026-06-27T06:12:56,243 creating build/lib/mlatom 2026-06-27T06:12:56,245 copying src/mlatom/md_cmd.py -> build/lib/mlatom 2026-06-27T06:12:56,248 copying src/mlatom/GICnet.py -> build/lib/mlatom 2026-06-27T06:12:56,251 copying src/mlatom/md.py -> build/lib/mlatom 2026-06-27T06:12:56,254 copying src/mlatom/md2vibr.py -> build/lib/mlatom 2026-06-27T06:12:56,256 copying src/mlatom/composite_methods.py -> build/lib/mlatom 2026-06-27T06:12:56,258 copying src/mlatom/krr_julia.py -> build/lib/mlatom 2026-06-27T06:12:56,260 copying src/mlatom/EEEDDDD.py -> build/lib/mlatom 2026-06-27T06:12:56,263 copying src/mlatom/_version.py -> build/lib/mlatom 2026-06-27T06:12:56,265 copying src/mlatom/models.py -> build/lib/mlatom 2026-06-27T06:12:56,269 copying src/mlatom/gap_md.py -> build/lib/mlatom 2026-06-27T06:12:56,271 copying src/mlatom/_version_static.py -> build/lib/mlatom 2026-06-27T06:12:56,273 copying src/mlatom/md_parallel.py -> build/lib/mlatom 2026-06-27T06:12:56,275 copying src/mlatom/decorators.py -> build/lib/mlatom 2026-06-27T06:12:56,277 copying src/mlatom/args_class.py -> build/lib/mlatom 2026-06-27T06:12:56,280 copying src/mlatom/MLatom.py -> build/lib/mlatom 2026-06-27T06:12:56,283 copying src/mlatom/mlatom_gui.py -> build/lib/mlatom 2026-06-27T06:12:56,287 copying src/mlatom/kreg_api.py -> build/lib/mlatom 2026-06-27T06:12:56,289 copying src/mlatom/spectra.py -> build/lib/mlatom 2026-06-27T06:12:56,293 copying src/mlatom/shell_cmd.py -> build/lib/mlatom 2026-06-27T06:12:56,295 copying src/mlatom/sliceData.py -> build/lib/mlatom 2026-06-27T06:12:56,298 copying src/mlatom/interface_MLatomF.py -> build/lib/mlatom 2026-06-27T06:12:56,300 copying src/mlatom/__init__.py -> build/lib/mlatom 2026-06-27T06:12:56,302 copying src/mlatom/EEEDDDD_nn.py -> build/lib/mlatom 2026-06-27T06:12:56,304 copying src/mlatom/header.py -> build/lib/mlatom 2026-06-27T06:12:56,306 copying src/mlatom/EEEDDDD_descriptor.py -> build/lib/mlatom 2026-06-27T06:12:56,309 copying src/mlatom/namd.py -> build/lib/mlatom 2026-06-27T06:12:56,313 copying src/mlatom/initial_conditions.py -> build/lib/mlatom 2026-06-27T06:12:56,316 copying src/mlatom/al_utils.py -> build/lib/mlatom 2026-06-27T06:12:56,323 copying src/mlatom/conversions.py -> build/lib/mlatom 2026-06-27T06:12:56,324 copying src/mlatom/utils.py -> build/lib/mlatom 2026-06-27T06:12:56,327 copying src/mlatom/model_cls.py -> build/lib/mlatom 2026-06-27T06:12:56,331 copying src/mlatom/xyz.py -> build/lib/mlatom 2026-06-27T06:12:56,333 copying src/mlatom/gen_ts_methods.py -> build/lib/mlatom 2026-06-27T06:12:56,335 copying src/mlatom/ciopt.py -> build/lib/mlatom 2026-06-27T06:12:56,338 copying src/mlatom/MLtasks.py -> build/lib/mlatom 2026-06-27T06:12:56,342 copying src/mlatom/ccsdtstarcbs.py -> build/lib/mlatom 2026-06-27T06:12:56,344 copying src/mlatom/md2vibr_cmd.py -> build/lib/mlatom 2026-06-27T06:12:56,347 copying src/mlatom/aiqm2.py -> build/lib/mlatom 2026-06-27T06:12:56,349 copying src/mlatom/constants.py -> build/lib/mlatom 2026-06-27T06:12:56,351 copying src/mlatom/thermostat.py -> build/lib/mlatom 2026-06-27T06:12:56,354 copying src/mlatom/omnip1_nn.py -> build/lib/mlatom 2026-06-27T06:12:56,356 copying src/mlatom/plot.py -> build/lib/mlatom 2026-06-27T06:12:56,358 copying src/mlatom/functionsGICnet.py -> build/lib/mlatom 2026-06-27T06:12:56,362 copying src/mlatom/omnip1.py -> build/lib/mlatom 2026-06-27T06:12:56,364 copying src/mlatom/_update_check.py -> build/lib/mlatom 2026-06-27T06:12:56,366 copying src/mlatom/data.py -> build/lib/mlatom 2026-06-27T06:12:56,372 copying src/mlatom/simulations.py -> build/lib/mlatom 2026-06-27T06:12:56,375 copying src/mlatom/aiqm1.py -> build/lib/mlatom 2026-06-27T06:12:56,377 copying src/mlatom/irc.py -> build/lib/mlatom 2026-06-27T06:12:56,380 copying src/mlatom/dens.py -> build/lib/mlatom 2026-06-27T06:12:56,383 copying src/mlatom/stats.py -> build/lib/mlatom 2026-06-27T06:12:56,385 copying src/mlatom/stopper.py -> build/lib/mlatom 2026-06-27T06:12:56,387 copying src/mlatom/ML_NEA.py -> build/lib/mlatom 2026-06-27T06:12:56,391 copying src/mlatom/log.py -> build/lib/mlatom 2026-06-27T06:12:56,393 copying src/mlatom/doc.py -> build/lib/mlatom 2026-06-27T06:12:56,396 copying src/mlatom/MLTPA.py -> build/lib/mlatom 2026-06-27T06:12:56,398 copying src/mlatom/al.py -> build/lib/mlatom 2026-06-27T06:12:56,402 creating build/lib/mlatom/fortran 2026-06-27T06:12:56,403 copying src/mlatom/fortran/compile.py -> build/lib/mlatom/fortran 2026-06-27T06:12:56,405 copying src/mlatom/fortran/__init__.py -> build/lib/mlatom/fortran 2026-06-27T06:12:56,407 creating build/lib/mlatom/MLatomF_src 2026-06-27T06:12:56,407 copying src/mlatom/MLatomF_src/__init__.py -> build/lib/mlatom/MLatomF_src 2026-06-27T06:12:56,409 creating build/lib/mlatom/julia 2026-06-27T06:12:56,410 copying src/mlatom/julia/__init__.py -> build/lib/mlatom/julia 2026-06-27T06:12:56,412 copying src/mlatom/julia/kreg_julia.py -> build/lib/mlatom/julia 2026-06-27T06:12:56,415 creating build/lib/mlatom/addons 2026-06-27T06:12:56,416 copying src/mlatom/addons/__init__.py -> build/lib/mlatom/addons 2026-06-27T06:12:56,418 creating build/lib/mlatom/interfaces 2026-06-27T06:12:56,419 copying src/mlatom/interfaces/dftd3_interface.py -> build/lib/mlatom/interfaces 2026-06-27T06:12:56,422 copying src/mlatom/interfaces/pyscf_interface.py -> build/lib/mlatom/interfaces 2026-06-27T06:12:56,424 copying src/mlatom/interfaces/columbus_interface.py -> build/lib/mlatom/interfaces 2026-06-27T06:12:56,427 copying src/mlatom/interfaces/dpmd_interface.py -> build/lib/mlatom/interfaces 2026-06-27T06:12:56,430 copying src/mlatom/interfaces/geometric_interface.py -> build/lib/mlatom/interfaces 2026-06-27T06:12:56,432 copying src/mlatom/interfaces/mndo_interface.py -> build/lib/mlatom/interfaces 2026-06-27T06:12:56,434 copying src/mlatom/interfaces/turbomole_interface.py -> build/lib/mlatom/interfaces 2026-06-27T06:12:56,437 copying src/mlatom/interfaces/__init__.py -> build/lib/mlatom/interfaces 2026-06-27T06:12:56,438 copying src/mlatom/interfaces/aimnet2_interface.py -> build/lib/mlatom/interfaces 2026-06-27T06:12:56,440 copying src/mlatom/interfaces/pysisyphus_interface.py -> build/lib/mlatom/interfaces 2026-06-27T06:12:56,443 copying src/mlatom/interfaces/dftbplus_interface.py -> build/lib/mlatom/interfaces 2026-06-27T06:12:56,445 copying src/mlatom/interfaces/torchani_heavy_parts.py -> build/lib/mlatom/interfaces 2026-06-27T06:12:56,447 copying src/mlatom/interfaces/physnet_interface.py -> build/lib/mlatom/interfaces 2026-06-27T06:12:56,450 copying src/mlatom/interfaces/gaussian_interface.py -> build/lib/mlatom/interfaces 2026-06-27T06:12:56,453 copying src/mlatom/interfaces/dftd4_interface.py -> build/lib/mlatom/interfaces 2026-06-27T06:12:56,455 copying src/mlatom/interfaces/torchani_interface.py -> build/lib/mlatom/interfaces 2026-06-27T06:12:56,459 copying src/mlatom/interfaces/ase_interface.py -> build/lib/mlatom/interfaces 2026-06-27T06:12:56,461 copying src/mlatom/interfaces/gap_interface.py -> build/lib/mlatom/interfaces 2026-06-27T06:12:56,464 copying src/mlatom/interfaces/orca_interface.py -> build/lib/mlatom/interfaces 2026-06-27T06:12:56,467 copying src/mlatom/interfaces/sparrow_interface.py -> build/lib/mlatom/interfaces 2026-06-27T06:12:56,469 copying src/mlatom/interfaces/mace_interface.py -> build/lib/mlatom/interfaces 2026-06-27T06:12:56,472 copying src/mlatom/interfaces/gaussian_external.py -> build/lib/mlatom/interfaces 2026-06-27T06:12:56,474 copying src/mlatom/interfaces/sgdml_interface.py -> build/lib/mlatom/interfaces 2026-06-27T06:12:56,477 copying src/mlatom/interfaces/xtb_interface.py -> build/lib/mlatom/interfaces 2026-06-27T06:12:56,480 copying src/mlatom/interfaces/mace_methods_interface.py -> build/lib/mlatom/interfaces 2026-06-27T06:12:56,483 creating build/lib/mlatom/mlatom_models 2026-06-27T06:12:56,484 copying src/mlatom/mlatom_models/__init__.py -> build/lib/mlatom/mlatom_models 2026-06-27T06:12:56,486 creating build/lib/mlatom/mltpa 2026-06-27T06:12:56,487 copying src/mlatom/mltpa/__init__.py -> build/lib/mlatom/mltpa 2026-06-27T06:12:56,489 creating build/lib/mlatom/fortran/np2 2026-06-27T06:12:56,490 copying src/mlatom/fortran/np2/__init__.py -> build/lib/mlatom/fortran/np2 2026-06-27T06:12:56,492 creating build/lib/mlatom/fortran/np1 2026-06-27T06:12:56,493 copying src/mlatom/fortran/np1/__init__.py -> build/lib/mlatom/fortran/np1 2026-06-27T06:12:56,495 creating build/lib/mlatom/addons/uaiqm 2026-06-27T06:12:56,496 copying src/mlatom/addons/uaiqm/uaiqm.py -> build/lib/mlatom/addons/uaiqm 2026-06-27T06:12:56,498 copying src/mlatom/addons/uaiqm/__init__.py -> build/lib/mlatom/addons/uaiqm 2026-06-27T06:12:56,500 creating build/lib/mlatom/addons/omnip2x 2026-06-27T06:12:56,501 copying src/mlatom/addons/omnip2x/omnip2x.py -> build/lib/mlatom/addons/omnip2x 2026-06-27T06:12:56,504 copying src/mlatom/addons/omnip2x/__init__.py -> build/lib/mlatom/addons/omnip2x 2026-06-27T06:12:56,506 copying src/mlatom/addons/omnip2x/re_state_input_net.py -> build/lib/mlatom/addons/omnip2x 2026-06-27T06:12:56,507 copying src/mlatom/addons/omnip2x/vecmsani.py -> build/lib/mlatom/addons/omnip2x 2026-06-27T06:12:56,511 creating build/lib/mlatom/addons/aiqm3 2026-06-27T06:12:56,512 copying src/mlatom/addons/aiqm3/aiqm3.py -> build/lib/mlatom/addons/aiqm3 2026-06-27T06:12:56,515 copying src/mlatom/addons/aiqm3/__init__.py -> build/lib/mlatom/addons/aiqm3 2026-06-27T06:12:56,517 creating build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-27T06:12:56,519 copying src/mlatom/mlatom_models/aiqm1_model/__init__.py -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-27T06:12:56,521 creating build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-27T06:12:56,522 copying src/mlatom/mlatom_models/aiqm2_model/__init__.py -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-27T06:12:56,595 copying src/mlatom/MLatomF -> build/lib/mlatom 2026-06-27T06:12:56,845 copying src/mlatom/ref.json -> build/lib/mlatom 2026-06-27T06:12:56,849 copying src/mlatom/cs.so -> build/lib/mlatom 2026-06-27T06:12:56,852 copying src/mlatom/fortran/stopper.f90 -> build/lib/mlatom/fortran 2026-06-27T06:12:56,854 copying src/mlatom/fortran/KREG.f90 -> build/lib/mlatom/fortran 2026-06-27T06:12:56,857 copying src/mlatom/fortran/mathUtils.f90 -> build/lib/mlatom/fortran 2026-06-27T06:12:56,860 copying src/mlatom/MLatomF_src/cs.cpp -> build/lib/mlatom/MLatomF_src 2026-06-27T06:12:56,863 copying src/mlatom/MLatomF_src/A_KRR_kernel.f90 -> build/lib/mlatom/MLatomF_src 2026-06-27T06:12:56,867 copying src/mlatom/MLatomF_src/dataset.f90 -> build/lib/mlatom/MLatomF_src 2026-06-27T06:12:56,871 copying src/mlatom/MLatomF_src/precision.f90 -> build/lib/mlatom/MLatomF_src 2026-06-27T06:12:56,873 copying src/mlatom/MLatomF_src/constants.f90 -> build/lib/mlatom/MLatomF_src 2026-06-27T06:12:56,875 copying src/mlatom/MLatomF_src/MLatomF.f90 -> build/lib/mlatom/MLatomF_src 2026-06-27T06:12:56,878 copying src/mlatom/MLatomF_src/timing.f90 -> build/lib/mlatom/MLatomF_src 2026-06-27T06:12:56,881 copying src/mlatom/MLatomF_src/strings.f90 -> build/lib/mlatom/MLatomF_src 2026-06-27T06:12:56,883 copying src/mlatom/MLatomF_src/types.f90 -> build/lib/mlatom/MLatomF_src 2026-06-27T06:12:56,886 copying src/mlatom/MLatomF_src/stopper.f90 -> build/lib/mlatom/MLatomF_src 2026-06-27T06:12:56,889 copying src/mlatom/MLatomF_src/statistics.f90 -> build/lib/mlatom/MLatomF_src 2026-06-27T06:12:56,892 copying src/mlatom/MLatomF_src/MLmodel.f90 -> build/lib/mlatom/MLatomF_src 2026-06-27T06:12:56,895 copying src/mlatom/MLatomF_src/D_rel2eq.f90 -> build/lib/mlatom/MLatomF_src 2026-06-27T06:12:56,899 copying src/mlatom/MLatomF_src/molDescr.f90 -> build/lib/mlatom/MLatomF_src 2026-06-27T06:12:56,902 copying src/mlatom/MLatomF_src/D_ID.f90 -> build/lib/mlatom/MLatomF_src 2026-06-27T06:12:56,904 copying src/mlatom/MLatomF_src/D_CoulombMatrix.f90 -> build/lib/mlatom/MLatomF_src 2026-06-27T06:12:56,907 copying src/mlatom/MLatomF_src/A_KRR.f90 -> build/lib/mlatom/MLatomF_src 2026-06-27T06:12:56,911 copying src/mlatom/MLatomF_src/analyze.f90 -> build/lib/mlatom/MLatomF_src 2026-06-27T06:12:56,914 copying src/mlatom/MLatomF_src/mathUtils.f90 -> build/lib/mlatom/MLatomF_src 2026-06-27T06:12:56,918 copying src/mlatom/MLatomF_src/optionsModule.f90 -> build/lib/mlatom/MLatomF_src 2026-06-27T06:12:56,922 copying src/mlatom/MLatomF_src/MLatomFInfo.f90 -> build/lib/mlatom/MLatomF_src 2026-06-27T06:12:56,924 copying src/mlatom/MLatomF_src/sampling.f90 -> build/lib/mlatom/MLatomF_src 2026-06-27T06:12:56,927 copying src/mlatom/MLatomF_src/Makefile -> build/lib/mlatom/MLatomF_src 2026-06-27T06:12:56,929 copying src/mlatom/MLatomF_src/Makefile.intel -> build/lib/mlatom/MLatomF_src 2026-06-27T06:12:56,932 copying src/mlatom/MLatomF_src/recover.sh -> build/lib/mlatom/MLatomF_src 2026-06-27T06:12:56,934 copying src/mlatom/julia/krr.jl -> build/lib/mlatom/julia 2026-06-27T06:12:56,937 copying src/mlatom/julia/KREG.jl -> build/lib/mlatom/julia 2026-06-27T06:12:56,940 copying src/mlatom/julia/kernel_function.jl -> build/lib/mlatom/julia 2026-06-27T06:12:56,942 copying src/mlatom/julia/mathUtils.jl -> build/lib/mlatom/julia 2026-06-27T06:12:56,945 copying src/mlatom/julia/stopper.jl -> build/lib/mlatom/julia 2026-06-27T06:12:56,947 copying src/mlatom/interfaces/xtb -> build/lib/mlatom/interfaces 2026-06-27T06:12:58,562 copying src/mlatom/mltpa/mff.txt -> build/lib/mlatom/mltpa 2026-06-27T06:12:58,565 copying src/mlatom/mltpa/mltpa2022_2.pkl -> build/lib/mlatom/mltpa 2026-06-27T06:12:58,624 copying src/mlatom/mltpa/mltpa2022_2_new_.pkl -> build/lib/mlatom/mltpa 2026-06-27T06:12:58,656 copying src/mlatom/fortran/np2/KREG.so -> build/lib/mlatom/fortran/np2 2026-06-27T06:12:58,681 copying src/mlatom/fortran/np1/KREG.so -> build/lib/mlatom/fortran/np1 2026-06-27T06:12:58,701 copying src/mlatom/mlatom_models/aiqm1_model/cv2.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-27T06:12:58,730 copying src/mlatom/mlatom_models/aiqm1_model/cv1.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-27T06:12:58,760 copying src/mlatom/mlatom_models/aiqm1_model/cv4.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-27T06:12:58,789 copying src/mlatom/mlatom_models/aiqm1_model/cv0.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-27T06:12:58,820 copying src/mlatom/mlatom_models/aiqm1_model/cv5.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-27T06:12:58,851 copying src/mlatom/mlatom_models/aiqm1_model/cv6.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-27T06:12:58,881 copying src/mlatom/mlatom_models/aiqm1_model/cv3.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-27T06:12:58,910 copying src/mlatom/mlatom_models/aiqm1_model/cv7.pt -> build/lib/mlatom/mlatom_models/aiqm1_model 2026-06-27T06:12:58,940 copying src/mlatom/mlatom_models/aiqm2_model/cv2.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-27T06:12:58,983 copying src/mlatom/mlatom_models/aiqm2_model/cv1.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-27T06:12:59,025 copying src/mlatom/mlatom_models/aiqm2_model/cv4.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-27T06:12:59,066 copying src/mlatom/mlatom_models/aiqm2_model/cv0.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-27T06:12:59,110 copying src/mlatom/mlatom_models/aiqm2_model/cv5.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-27T06:12:59,153 copying src/mlatom/mlatom_models/aiqm2_model/cv6.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-27T06:12:59,196 copying src/mlatom/mlatom_models/aiqm2_model/cv3.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-27T06:12:59,235 copying src/mlatom/mlatom_models/aiqm2_model/cv7.pt -> build/lib/mlatom/mlatom_models/aiqm2_model 2026-06-27T06:12:59,314 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/cmd.py:90: SetuptoolsDeprecationWarning: setup.py install is deprecated. 2026-06-27T06:12:59,315 !! 2026-06-27T06:12:59,316 ******************************************************************************** 2026-06-27T06:12:59,317 Please avoid running ``setup.py`` directly. 2026-06-27T06:12:59,317 Instead, use pypa/build, pypa/installer or other 2026-06-27T06:12:59,318 standards-based tools. 2026-06-27T06:12:59,319 This deprecation is overdue, please update your project and remove deprecated 2026-06-27T06:12:59,320 calls to avoid build errors in the future. 2026-06-27T06:12:59,321 See https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.html for details. 2026-06-27T06:12:59,321 ******************************************************************************** 2026-06-27T06:12:59,322 !! 2026-06-27T06:12:59,322 self.initialize_options() 2026-06-27T06:12:59,345 installing to build/bdist.linux-armv7l/wheel 2026-06-27T06:12:59,345 running install 2026-06-27T06:12:59,369 running install_lib 2026-06-27T06:12:59,397 creating build/bdist.linux-armv7l/wheel 2026-06-27T06:12:59,400 creating build/bdist.linux-armv7l/wheel/mlatom 2026-06-27T06:12:59,401 copying build/lib/mlatom/md_cmd.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,404 copying build/lib/mlatom/GICnet.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,407 copying build/lib/mlatom/md.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,409 copying build/lib/mlatom/md2vibr.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,412 copying build/lib/mlatom/composite_methods.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,414 copying build/lib/mlatom/krr_julia.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,416 copying build/lib/mlatom/EEEDDDD.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,419 copying build/lib/mlatom/_version.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,421 copying build/lib/mlatom/models.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,424 creating build/bdist.linux-armv7l/wheel/mlatom/fortran 2026-06-27T06:12:59,426 creating build/bdist.linux-armv7l/wheel/mlatom/fortran/np2 2026-06-27T06:12:59,427 copying build/lib/mlatom/fortran/np2/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/fortran/np2 2026-06-27T06:12:59,429 copying build/lib/mlatom/fortran/np2/KREG.so -> build/bdist.linux-armv7l/wheel/./mlatom/fortran/np2 2026-06-27T06:12:59,456 copying build/lib/mlatom/fortran/compile.py -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-06-27T06:12:59,458 creating build/bdist.linux-armv7l/wheel/mlatom/fortran/np1 2026-06-27T06:12:59,459 copying build/lib/mlatom/fortran/np1/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/fortran/np1 2026-06-27T06:12:59,461 copying build/lib/mlatom/fortran/np1/KREG.so -> build/bdist.linux-armv7l/wheel/./mlatom/fortran/np1 2026-06-27T06:12:59,485 copying build/lib/mlatom/fortran/stopper.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-06-27T06:12:59,487 copying build/lib/mlatom/fortran/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-06-27T06:12:59,489 copying build/lib/mlatom/fortran/KREG.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-06-27T06:12:59,492 copying build/lib/mlatom/fortran/mathUtils.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/fortran 2026-06-27T06:12:59,495 copying build/lib/mlatom/gap_md.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,497 copying build/lib/mlatom/_version_static.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,500 copying build/lib/mlatom/md_parallel.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,502 copying build/lib/mlatom/decorators.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,505 copying build/lib/mlatom/args_class.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,508 copying build/lib/mlatom/MLatom.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,511 copying build/lib/mlatom/ref.json -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,514 copying build/lib/mlatom/mlatom_gui.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,519 creating build/bdist.linux-armv7l/wheel/mlatom/MLatomF_src 2026-06-27T06:12:59,520 copying build/lib/mlatom/MLatomF_src/A_KRR_kernel.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-27T06:12:59,525 copying build/lib/mlatom/MLatomF_src/dataset.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-27T06:12:59,529 copying build/lib/mlatom/MLatomF_src/precision.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-27T06:12:59,531 copying build/lib/mlatom/MLatomF_src/Makefile -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-27T06:12:59,533 copying build/lib/mlatom/MLatomF_src/constants.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-27T06:12:59,536 copying build/lib/mlatom/MLatomF_src/MLatomF.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-27T06:12:59,538 copying build/lib/mlatom/MLatomF_src/timing.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-27T06:12:59,540 copying build/lib/mlatom/MLatomF_src/strings.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-27T06:12:59,542 copying build/lib/mlatom/MLatomF_src/types.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-27T06:12:59,544 copying build/lib/mlatom/MLatomF_src/stopper.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-27T06:12:59,547 copying build/lib/mlatom/MLatomF_src/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-27T06:12:59,549 copying build/lib/mlatom/MLatomF_src/statistics.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-27T06:12:59,552 copying build/lib/mlatom/MLatomF_src/MLmodel.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-27T06:12:59,555 copying build/lib/mlatom/MLatomF_src/D_rel2eq.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-27T06:12:59,558 copying build/lib/mlatom/MLatomF_src/molDescr.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-27T06:12:59,561 copying build/lib/mlatom/MLatomF_src/D_ID.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-27T06:12:59,563 copying build/lib/mlatom/MLatomF_src/D_CoulombMatrix.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-27T06:12:59,565 copying build/lib/mlatom/MLatomF_src/A_KRR.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-27T06:12:59,569 copying build/lib/mlatom/MLatomF_src/analyze.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-27T06:12:59,572 copying build/lib/mlatom/MLatomF_src/mathUtils.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-27T06:12:59,575 copying build/lib/mlatom/MLatomF_src/Makefile.intel -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-27T06:12:59,577 copying build/lib/mlatom/MLatomF_src/optionsModule.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-27T06:12:59,580 copying build/lib/mlatom/MLatomF_src/cs.cpp -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-27T06:12:59,582 copying build/lib/mlatom/MLatomF_src/recover.sh -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-27T06:12:59,585 copying build/lib/mlatom/MLatomF_src/MLatomFInfo.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-27T06:12:59,587 copying build/lib/mlatom/MLatomF_src/sampling.f90 -> build/bdist.linux-armv7l/wheel/./mlatom/MLatomF_src 2026-06-27T06:12:59,589 copying build/lib/mlatom/kreg_api.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,592 copying build/lib/mlatom/spectra.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,595 copying build/lib/mlatom/shell_cmd.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,597 copying build/lib/mlatom/sliceData.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,600 copying build/lib/mlatom/interface_MLatomF.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,602 copying build/lib/mlatom/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,605 creating build/bdist.linux-armv7l/wheel/mlatom/julia 2026-06-27T06:12:59,606 copying build/lib/mlatom/julia/krr.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-06-27T06:12:59,609 copying build/lib/mlatom/julia/KREG.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-06-27T06:12:59,612 copying build/lib/mlatom/julia/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-06-27T06:12:59,613 copying build/lib/mlatom/julia/kernel_function.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-06-27T06:12:59,616 copying build/lib/mlatom/julia/kreg_julia.py -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-06-27T06:12:59,618 copying build/lib/mlatom/julia/mathUtils.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-06-27T06:12:59,620 copying build/lib/mlatom/julia/stopper.jl -> build/bdist.linux-armv7l/wheel/./mlatom/julia 2026-06-27T06:12:59,622 copying build/lib/mlatom/EEEDDDD_nn.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,625 copying build/lib/mlatom/header.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,627 copying build/lib/mlatom/cs.so -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,630 creating build/bdist.linux-armv7l/wheel/mlatom/addons 2026-06-27T06:12:59,632 creating build/bdist.linux-armv7l/wheel/mlatom/addons/uaiqm 2026-06-27T06:12:59,633 copying build/lib/mlatom/addons/uaiqm/uaiqm.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/uaiqm 2026-06-27T06:12:59,636 copying build/lib/mlatom/addons/uaiqm/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/uaiqm 2026-06-27T06:12:59,638 creating build/bdist.linux-armv7l/wheel/mlatom/addons/omnip2x 2026-06-27T06:12:59,639 copying build/lib/mlatom/addons/omnip2x/omnip2x.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/omnip2x 2026-06-27T06:12:59,642 copying build/lib/mlatom/addons/omnip2x/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/omnip2x 2026-06-27T06:12:59,644 copying build/lib/mlatom/addons/omnip2x/re_state_input_net.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/omnip2x 2026-06-27T06:12:59,646 copying build/lib/mlatom/addons/omnip2x/vecmsani.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/omnip2x 2026-06-27T06:12:59,649 creating build/bdist.linux-armv7l/wheel/mlatom/addons/aiqm3 2026-06-27T06:12:59,651 copying build/lib/mlatom/addons/aiqm3/aiqm3.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/aiqm3 2026-06-27T06:12:59,653 copying build/lib/mlatom/addons/aiqm3/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons/aiqm3 2026-06-27T06:12:59,655 copying build/lib/mlatom/addons/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/addons 2026-06-27T06:12:59,656 copying build/lib/mlatom/EEEDDDD_descriptor.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,659 copying build/lib/mlatom/namd.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,662 copying build/lib/mlatom/initial_conditions.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,665 copying build/lib/mlatom/MLatomF -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,889 copying build/lib/mlatom/al_utils.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,893 copying build/lib/mlatom/conversions.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,895 copying build/lib/mlatom/utils.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,898 copying build/lib/mlatom/model_cls.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,901 copying build/lib/mlatom/xyz.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,904 copying build/lib/mlatom/gen_ts_methods.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,906 copying build/lib/mlatom/ciopt.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:12:59,910 creating build/bdist.linux-armv7l/wheel/mlatom/interfaces 2026-06-27T06:12:59,911 copying build/lib/mlatom/interfaces/dftd3_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-27T06:12:59,914 copying build/lib/mlatom/interfaces/pyscf_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-27T06:12:59,917 copying build/lib/mlatom/interfaces/columbus_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-27T06:12:59,920 copying build/lib/mlatom/interfaces/dpmd_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-27T06:12:59,922 copying build/lib/mlatom/interfaces/geometric_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-27T06:12:59,925 copying build/lib/mlatom/interfaces/xtb -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-27T06:13:01,258 copying build/lib/mlatom/interfaces/mndo_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-27T06:13:01,261 copying build/lib/mlatom/interfaces/turbomole_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-27T06:13:01,263 copying build/lib/mlatom/interfaces/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-27T06:13:01,264 copying build/lib/mlatom/interfaces/aimnet2_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-27T06:13:01,267 copying build/lib/mlatom/interfaces/pysisyphus_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-27T06:13:01,269 copying build/lib/mlatom/interfaces/dftbplus_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-27T06:13:01,272 copying build/lib/mlatom/interfaces/torchani_heavy_parts.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-27T06:13:01,273 copying build/lib/mlatom/interfaces/physnet_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-27T06:13:01,276 copying build/lib/mlatom/interfaces/gaussian_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-27T06:13:01,279 copying build/lib/mlatom/interfaces/dftd4_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-27T06:13:01,282 copying build/lib/mlatom/interfaces/torchani_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-27T06:13:01,285 copying build/lib/mlatom/interfaces/ase_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-27T06:13:01,288 copying build/lib/mlatom/interfaces/gap_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-27T06:13:01,290 copying build/lib/mlatom/interfaces/orca_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-27T06:13:01,293 copying build/lib/mlatom/interfaces/sparrow_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-27T06:13:01,295 copying build/lib/mlatom/interfaces/mace_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-27T06:13:01,298 copying build/lib/mlatom/interfaces/gaussian_external.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-27T06:13:01,300 copying build/lib/mlatom/interfaces/sgdml_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-27T06:13:01,303 copying build/lib/mlatom/interfaces/xtb_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-27T06:13:01,306 copying build/lib/mlatom/interfaces/mace_methods_interface.py -> build/bdist.linux-armv7l/wheel/./mlatom/interfaces 2026-06-27T06:13:01,308 copying build/lib/mlatom/MLtasks.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:13:01,312 copying build/lib/mlatom/ccsdtstarcbs.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:13:01,314 copying build/lib/mlatom/md2vibr_cmd.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:13:01,317 copying build/lib/mlatom/aiqm2.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:13:01,319 copying build/lib/mlatom/constants.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:13:01,321 copying build/lib/mlatom/thermostat.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:13:01,324 copying build/lib/mlatom/omnip1_nn.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:13:01,326 copying build/lib/mlatom/plot.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:13:01,328 copying build/lib/mlatom/functionsGICnet.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:13:01,331 copying build/lib/mlatom/omnip1.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:13:01,333 copying build/lib/mlatom/_update_check.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:13:01,336 copying build/lib/mlatom/data.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:13:01,346 copying build/lib/mlatom/simulations.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:13:01,352 creating build/bdist.linux-armv7l/wheel/mlatom/mlatom_models 2026-06-27T06:13:01,354 creating build/bdist.linux-armv7l/wheel/mlatom/mlatom_models/aiqm1_model 2026-06-27T06:13:01,356 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv2.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-27T06:13:01,403 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv1.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-27T06:13:01,440 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv4.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-27T06:13:01,469 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv0.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-27T06:13:01,505 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv5.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-27T06:13:01,534 copying build/lib/mlatom/mlatom_models/aiqm1_model/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-27T06:13:01,536 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv6.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-27T06:13:01,563 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv3.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-27T06:13:01,594 copying build/lib/mlatom/mlatom_models/aiqm1_model/cv7.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm1_model 2026-06-27T06:13:01,624 creating build/bdist.linux-armv7l/wheel/mlatom/mlatom_models/aiqm2_model 2026-06-27T06:13:01,625 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv2.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-27T06:13:01,665 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv1.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-27T06:13:01,706 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv4.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-27T06:13:01,748 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv0.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-27T06:13:01,788 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv5.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-27T06:13:01,838 copying build/lib/mlatom/mlatom_models/aiqm2_model/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-27T06:13:01,840 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv6.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-27T06:13:01,879 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv3.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-27T06:13:01,918 copying build/lib/mlatom/mlatom_models/aiqm2_model/cv7.pt -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models/aiqm2_model 2026-06-27T06:13:01,959 copying build/lib/mlatom/mlatom_models/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/mlatom_models 2026-06-27T06:13:01,960 copying build/lib/mlatom/aiqm1.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:13:01,963 copying build/lib/mlatom/irc.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:13:01,966 creating build/bdist.linux-armv7l/wheel/mlatom/mltpa 2026-06-27T06:13:01,967 copying build/lib/mlatom/mltpa/mltpa2022_2.pkl -> build/bdist.linux-armv7l/wheel/./mlatom/mltpa 2026-06-27T06:13:02,028 copying build/lib/mlatom/mltpa/__init__.py -> build/bdist.linux-armv7l/wheel/./mlatom/mltpa 2026-06-27T06:13:02,030 copying build/lib/mlatom/mltpa/mff.txt -> build/bdist.linux-armv7l/wheel/./mlatom/mltpa 2026-06-27T06:13:02,032 copying build/lib/mlatom/mltpa/mltpa2022_2_new_.pkl -> build/bdist.linux-armv7l/wheel/./mlatom/mltpa 2026-06-27T06:13:02,063 copying build/lib/mlatom/dens.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:13:02,066 copying build/lib/mlatom/stats.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:13:02,068 copying build/lib/mlatom/stopper.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:13:02,069 copying build/lib/mlatom/ML_NEA.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:13:02,074 copying build/lib/mlatom/log.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:13:02,076 copying build/lib/mlatom/doc.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:13:02,080 copying build/lib/mlatom/MLTPA.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:13:02,083 copying build/lib/mlatom/al.py -> build/bdist.linux-armv7l/wheel/./mlatom 2026-06-27T06:13:02,086 running install_egg_info 2026-06-27T06:13:02,120 running egg_info 2026-06-27T06:13:02,147 writing src/mlatom.egg-info/PKG-INFO 2026-06-27T06:13:02,151 writing dependency_links to src/mlatom.egg-info/dependency_links.txt 2026-06-27T06:13:02,153 writing entry points to src/mlatom.egg-info/entry_points.txt 2026-06-27T06:13:02,155 writing requirements to src/mlatom.egg-info/requires.txt 2026-06-27T06:13:02,157 writing top-level names to src/mlatom.egg-info/top_level.txt 2026-06-27T06:13:02,277 reading manifest file 'src/mlatom.egg-info/SOURCES.txt' 2026-06-27T06:13:02,294 adding license file 'LICENSE.txt' 2026-06-27T06:13:02,309 writing manifest file 'src/mlatom.egg-info/SOURCES.txt' 2026-06-27T06:13:02,311 Copying src/mlatom.egg-info to build/bdist.linux-armv7l/wheel/./mlatom-3.23.3-py3.11.egg-info 2026-06-27T06:13:02,326 running install_scripts 2026-06-27T06:13:02,342 creating build/bdist.linux-armv7l/wheel/mlatom-3.23.3.dist-info/WHEEL 2026-06-27T06:13:02,345 creating '/tmp/pip-wheel-pas39o6z/mlatom-3.23.3-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2026-06-27T06:13:02,353 adding 'mlatom/EEEDDDD.py' 2026-06-27T06:13:02,355 adding 'mlatom/EEEDDDD_descriptor.py' 2026-06-27T06:13:02,358 adding 'mlatom/EEEDDDD_nn.py' 2026-06-27T06:13:02,362 adding 'mlatom/GICnet.py' 2026-06-27T06:13:02,366 adding 'mlatom/MLTPA.py' 2026-06-27T06:13:02,380 adding 'mlatom/ML_NEA.py' 2026-06-27T06:13:02,384 adding 'mlatom/MLatom.py' 2026-06-27T06:13:04,960 adding 'mlatom/MLatomF' 2026-06-27T06:13:05,092 adding 'mlatom/MLtasks.py' 2026-06-27T06:13:05,094 adding 'mlatom/__init__.py' 2026-06-27T06:13:05,096 adding 'mlatom/_update_check.py' 2026-06-27T06:13:05,098 adding 'mlatom/_version.py' 2026-06-27T06:13:05,099 adding 'mlatom/_version_static.py' 2026-06-27T06:13:05,102 adding 'mlatom/aiqm1.py' 2026-06-27T06:13:05,104 adding 'mlatom/aiqm2.py' 2026-06-27T06:13:05,109 adding 'mlatom/al.py' 2026-06-27T06:13:05,120 adding 'mlatom/al_utils.py' 2026-06-27T06:13:05,125 adding 'mlatom/args_class.py' 2026-06-27T06:13:05,127 adding 'mlatom/ccsdtstarcbs.py' 2026-06-27T06:13:05,129 adding 'mlatom/ciopt.py' 2026-06-27T06:13:05,131 adding 'mlatom/composite_methods.py' 2026-06-27T06:13:05,133 adding 'mlatom/constants.py' 2026-06-27T06:13:05,135 adding 'mlatom/conversions.py' 2026-06-27T06:13:05,137 adding 'mlatom/cs.so' 2026-06-27T06:13:05,156 adding 'mlatom/data.py' 2026-06-27T06:13:05,159 adding 'mlatom/decorators.py' 2026-06-27T06:13:05,164 adding 'mlatom/dens.py' 2026-06-27T06:13:05,169 adding 'mlatom/doc.py' 2026-06-27T06:13:05,174 adding 'mlatom/functionsGICnet.py' 2026-06-27T06:13:05,176 adding 'mlatom/gap_md.py' 2026-06-27T06:13:05,178 adding 'mlatom/gen_ts_methods.py' 2026-06-27T06:13:05,181 adding 'mlatom/header.py' 2026-06-27T06:13:05,185 adding 'mlatom/initial_conditions.py' 2026-06-27T06:13:05,187 adding 'mlatom/interface_MLatomF.py' 2026-06-27T06:13:05,192 adding 'mlatom/irc.py' 2026-06-27T06:13:05,194 adding 'mlatom/kreg_api.py' 2026-06-27T06:13:05,196 adding 'mlatom/krr_julia.py' 2026-06-27T06:13:05,197 adding 'mlatom/log.py' 2026-06-27T06:13:05,200 adding 'mlatom/md.py' 2026-06-27T06:13:05,202 adding 'mlatom/md2vibr.py' 2026-06-27T06:13:05,204 adding 'mlatom/md2vibr_cmd.py' 2026-06-27T06:13:05,207 adding 'mlatom/md_cmd.py' 2026-06-27T06:13:05,209 adding 'mlatom/md_parallel.py' 2026-06-27T06:13:05,215 adding 'mlatom/mlatom_gui.py' 2026-06-27T06:13:05,222 adding 'mlatom/model_cls.py' 2026-06-27T06:13:05,227 adding 'mlatom/models.py' 2026-06-27T06:13:05,235 adding 'mlatom/namd.py' 2026-06-27T06:13:05,237 adding 'mlatom/omnip1.py' 2026-06-27T06:13:05,239 adding 'mlatom/omnip1_nn.py' 2026-06-27T06:13:05,241 adding 'mlatom/plot.py' 2026-06-27T06:13:05,243 adding 'mlatom/ref.json' 2026-06-27T06:13:05,244 adding 'mlatom/shell_cmd.py' 2026-06-27T06:13:05,250 adding 'mlatom/simulations.py' 2026-06-27T06:13:05,253 adding 'mlatom/sliceData.py' 2026-06-27T06:13:05,259 adding 'mlatom/spectra.py' 2026-06-27T06:13:05,261 adding 'mlatom/stats.py' 2026-06-27T06:13:05,263 adding 'mlatom/stopper.py' 2026-06-27T06:13:05,265 adding 'mlatom/thermostat.py' 2026-06-27T06:13:05,268 adding 'mlatom/utils.py' 2026-06-27T06:13:05,270 adding 'mlatom/xyz.py' 2026-06-27T06:13:05,276 adding 'mlatom/MLatomF_src/A_KRR.f90' 2026-06-27T06:13:05,284 adding 'mlatom/MLatomF_src/A_KRR_kernel.f90' 2026-06-27T06:13:05,286 adding 'mlatom/MLatomF_src/D_CoulombMatrix.f90' 2026-06-27T06:13:05,288 adding 'mlatom/MLatomF_src/D_ID.f90' 2026-06-27T06:13:05,290 adding 'mlatom/MLatomF_src/D_rel2eq.f90' 2026-06-27T06:13:05,292 adding 'mlatom/MLatomF_src/MLatomF.f90' 2026-06-27T06:13:05,294 adding 'mlatom/MLatomF_src/MLatomFInfo.f90' 2026-06-27T06:13:05,298 adding 'mlatom/MLatomF_src/MLmodel.f90' 2026-06-27T06:13:05,300 adding 'mlatom/MLatomF_src/Makefile' 2026-06-27T06:13:05,301 adding 'mlatom/MLatomF_src/Makefile.intel' 2026-06-27T06:13:05,303 adding 'mlatom/MLatomF_src/__init__.py' 2026-06-27T06:13:05,304 adding 'mlatom/MLatomF_src/analyze.f90' 2026-06-27T06:13:05,306 adding 'mlatom/MLatomF_src/constants.f90' 2026-06-27T06:13:05,307 adding 'mlatom/MLatomF_src/cs.cpp' 2026-06-27T06:13:05,314 adding 'mlatom/MLatomF_src/dataset.f90' 2026-06-27T06:13:05,318 adding 'mlatom/MLatomF_src/mathUtils.f90' 2026-06-27T06:13:05,320 adding 'mlatom/MLatomF_src/molDescr.f90' 2026-06-27T06:13:05,327 adding 'mlatom/MLatomF_src/optionsModule.f90' 2026-06-27T06:13:05,329 adding 'mlatom/MLatomF_src/precision.f90' 2026-06-27T06:13:05,331 adding 'mlatom/MLatomF_src/recover.sh' 2026-06-27T06:13:05,332 adding 'mlatom/MLatomF_src/sampling.f90' 2026-06-27T06:13:05,335 adding 'mlatom/MLatomF_src/statistics.f90' 2026-06-27T06:13:05,337 adding 'mlatom/MLatomF_src/stopper.f90' 2026-06-27T06:13:05,338 adding 'mlatom/MLatomF_src/strings.f90' 2026-06-27T06:13:05,340 adding 'mlatom/MLatomF_src/timing.f90' 2026-06-27T06:13:05,341 adding 'mlatom/MLatomF_src/types.f90' 2026-06-27T06:13:05,343 adding 'mlatom/addons/__init__.py' 2026-06-27T06:13:05,345 adding 'mlatom/addons/aiqm3/__init__.py' 2026-06-27T06:13:05,347 adding 'mlatom/addons/aiqm3/aiqm3.py' 2026-06-27T06:13:05,348 adding 'mlatom/addons/omnip2x/__init__.py' 2026-06-27T06:13:05,351 adding 'mlatom/addons/omnip2x/omnip2x.py' 2026-06-27T06:13:05,352 adding 'mlatom/addons/omnip2x/re_state_input_net.py' 2026-06-27T06:13:05,357 adding 'mlatom/addons/omnip2x/vecmsani.py' 2026-06-27T06:13:05,360 adding 'mlatom/addons/uaiqm/__init__.py' 2026-06-27T06:13:05,361 adding 'mlatom/addons/uaiqm/uaiqm.py' 2026-06-27T06:13:05,365 adding 'mlatom/fortran/KREG.f90' 2026-06-27T06:13:05,366 adding 'mlatom/fortran/__init__.py' 2026-06-27T06:13:05,368 adding 'mlatom/fortran/compile.py' 2026-06-27T06:13:05,370 adding 'mlatom/fortran/mathUtils.f90' 2026-06-27T06:13:05,371 adding 'mlatom/fortran/stopper.f90' 2026-06-27T06:13:05,538 adding 'mlatom/fortran/np1/KREG.so' 2026-06-27T06:13:05,549 adding 'mlatom/fortran/np1/__init__.py' 2026-06-27T06:13:05,715 adding 'mlatom/fortran/np2/KREG.so' 2026-06-27T06:13:05,725 adding 'mlatom/fortran/np2/__init__.py' 2026-06-27T06:13:05,727 adding 'mlatom/interfaces/__init__.py' 2026-06-27T06:13:05,729 adding 'mlatom/interfaces/aimnet2_interface.py' 2026-06-27T06:13:05,730 adding 'mlatom/interfaces/ase_interface.py' 2026-06-27T06:13:05,733 adding 'mlatom/interfaces/columbus_interface.py' 2026-06-27T06:13:05,735 adding 'mlatom/interfaces/dftbplus_interface.py' 2026-06-27T06:13:05,736 adding 'mlatom/interfaces/dftd3_interface.py' 2026-06-27T06:13:05,738 adding 'mlatom/interfaces/dftd4_interface.py' 2026-06-27T06:13:05,740 adding 'mlatom/interfaces/dpmd_interface.py' 2026-06-27T06:13:05,742 adding 'mlatom/interfaces/gap_interface.py' 2026-06-27T06:13:05,744 adding 'mlatom/interfaces/gaussian_external.py' 2026-06-27T06:13:05,750 adding 'mlatom/interfaces/gaussian_interface.py' 2026-06-27T06:13:05,752 adding 'mlatom/interfaces/geometric_interface.py' 2026-06-27T06:13:05,756 adding 'mlatom/interfaces/mace_interface.py' 2026-06-27T06:13:05,758 adding 'mlatom/interfaces/mace_methods_interface.py' 2026-06-27T06:13:05,761 adding 'mlatom/interfaces/mndo_interface.py' 2026-06-27T06:13:05,766 adding 'mlatom/interfaces/orca_interface.py' 2026-06-27T06:13:05,771 adding 'mlatom/interfaces/physnet_interface.py' 2026-06-27T06:13:05,774 adding 'mlatom/interfaces/pyscf_interface.py' 2026-06-27T06:13:05,776 adding 'mlatom/interfaces/pysisyphus_interface.py' 2026-06-27T06:13:05,780 adding 'mlatom/interfaces/sgdml_interface.py' 2026-06-27T06:13:05,782 adding 'mlatom/interfaces/sparrow_interface.py' 2026-06-27T06:13:05,784 adding 'mlatom/interfaces/torchani_heavy_parts.py' 2026-06-27T06:13:05,794 adding 'mlatom/interfaces/torchani_interface.py' 2026-06-27T06:13:05,797 adding 'mlatom/interfaces/turbomole_interface.py' 2026-06-27T06:13:14,567 adding 'mlatom/interfaces/xtb' 2026-06-27T06:13:15,081 adding 'mlatom/interfaces/xtb_interface.py' 2026-06-27T06:13:15,084 adding 'mlatom/julia/KREG.jl' 2026-06-27T06:13:15,085 adding 'mlatom/julia/__init__.py' 2026-06-27T06:13:15,086 adding 'mlatom/julia/kernel_function.jl' 2026-06-27T06:13:15,088 adding 'mlatom/julia/kreg_julia.py' 2026-06-27T06:13:15,090 adding 'mlatom/julia/krr.jl' 2026-06-27T06:13:15,091 adding 'mlatom/julia/mathUtils.jl' 2026-06-27T06:13:15,092 adding 'mlatom/julia/stopper.jl' 2026-06-27T06:13:15,094 adding 'mlatom/mlatom_models/__init__.py' 2026-06-27T06:13:15,095 adding 'mlatom/mlatom_models/aiqm1_model/__init__.py' 2026-06-27T06:13:15,354 adding 'mlatom/mlatom_models/aiqm1_model/cv0.pt' 2026-06-27T06:13:15,627 adding 'mlatom/mlatom_models/aiqm1_model/cv1.pt' 2026-06-27T06:13:15,901 adding 'mlatom/mlatom_models/aiqm1_model/cv2.pt' 2026-06-27T06:13:16,174 adding 'mlatom/mlatom_models/aiqm1_model/cv3.pt' 2026-06-27T06:13:16,446 adding 'mlatom/mlatom_models/aiqm1_model/cv4.pt' 2026-06-27T06:13:16,719 adding 'mlatom/mlatom_models/aiqm1_model/cv5.pt' 2026-06-27T06:13:16,992 adding 'mlatom/mlatom_models/aiqm1_model/cv6.pt' 2026-06-27T06:13:17,266 adding 'mlatom/mlatom_models/aiqm1_model/cv7.pt' 2026-06-27T06:13:17,282 adding 'mlatom/mlatom_models/aiqm2_model/__init__.py' 2026-06-27T06:13:17,665 adding 'mlatom/mlatom_models/aiqm2_model/cv0.pt' 2026-06-27T06:13:18,069 adding 'mlatom/mlatom_models/aiqm2_model/cv1.pt' 2026-06-27T06:13:18,472 adding 'mlatom/mlatom_models/aiqm2_model/cv2.pt' 2026-06-27T06:13:18,876 adding 'mlatom/mlatom_models/aiqm2_model/cv3.pt' 2026-06-27T06:13:19,318 adding 'mlatom/mlatom_models/aiqm2_model/cv4.pt' 2026-06-27T06:13:19,723 adding 'mlatom/mlatom_models/aiqm2_model/cv5.pt' 2026-06-27T06:13:20,126 adding 'mlatom/mlatom_models/aiqm2_model/cv6.pt' 2026-06-27T06:13:20,534 adding 'mlatom/mlatom_models/aiqm2_model/cv7.pt' 2026-06-27T06:13:20,574 adding 'mlatom/mltpa/__init__.py' 2026-06-27T06:13:20,576 adding 'mlatom/mltpa/mff.txt' 2026-06-27T06:13:21,181 adding 'mlatom/mltpa/mltpa2022_2.pkl' 2026-06-27T06:13:21,565 adding 'mlatom/mltpa/mltpa2022_2_new_.pkl' 2026-06-27T06:13:21,586 adding 'mlatom-3.23.3.dist-info/licenses/LICENSE.txt' 2026-06-27T06:13:21,587 adding 'mlatom-3.23.3.dist-info/METADATA' 2026-06-27T06:13:21,588 adding 'mlatom-3.23.3.dist-info/WHEEL' 2026-06-27T06:13:21,589 adding 'mlatom-3.23.3.dist-info/entry_points.txt' 2026-06-27T06:13:21,590 adding 'mlatom-3.23.3.dist-info/top_level.txt' 2026-06-27T06:13:21,592 adding 'mlatom-3.23.3.dist-info/RECORD' 2026-06-27T06:13:22,194 removing build/bdist.linux-armv7l/wheel 2026-06-27T06:13:22,402 Building wheel for mlatom (setup.py): finished with status 'done' 2026-06-27T06:13:23,132 Created wheel for mlatom: filename=mlatom-3.23.3-py3-none-any.whl size=61827083 sha256=63141aeeb94483be782836b0e54204636bbe3ddd44338d065faa2dad419bf64d 2026-06-27T06:13:23,133 Stored in directory: /tmp/pip-ephem-wheel-cache-7bpekjkz/wheels/1f/22/f6/c73af32a9cf024a57424905662ee1f8319c9e478134bcda7b8 2026-06-27T06:13:23,167 Successfully built mlatom 2026-06-27T06:13:24,585 Removed build tracker: '/tmp/pip-build-tracker-78hiutzf'