2025-10-10T02:29:27,936 Created temporary directory: /tmp/pip-ephem-wheel-cache-v_m6pnix 2025-10-10T02:29:27,938 Created temporary directory: /tmp/pip-build-tracker-5skd4in2 2025-10-10T02:29:27,939 Initialized build tracking at /tmp/pip-build-tracker-5skd4in2 2025-10-10T02:29:27,939 Created build tracker: /tmp/pip-build-tracker-5skd4in2 2025-10-10T02:29:27,939 Entered build tracker: /tmp/pip-build-tracker-5skd4in2 2025-10-10T02:29:27,940 Created temporary directory: /tmp/pip-wheel-fuh1ymdd 2025-10-10T02:29:27,944 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 2025-10-10T02:29:27,946 Created temporary directory: /tmp/pip-ephem-wheel-cache-v1vhp6no 2025-10-10T02:29:27,973 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2025-10-10T02:29:27,977 2 location(s) to search for versions of scine-chemoton: 2025-10-10T02:29:27,977 * https://pypi.org/simple/scine-chemoton/ 2025-10-10T02:29:27,977 * https://www.piwheels.org/simple/scine-chemoton/ 2025-10-10T02:29:27,977 Fetching project page and analyzing links: https://pypi.org/simple/scine-chemoton/ 2025-10-10T02:29:27,978 Getting page https://pypi.org/simple/scine-chemoton/ 2025-10-10T02:29:27,980 Found index url https://pypi.org/simple 2025-10-10T02:29:28,223 Fetched page https://pypi.org/simple/scine-chemoton/ as application/vnd.pypi.simple.v1+json 2025-10-10T02:29:28,226 Found link https://files.pythonhosted.org/packages/bd/5d/80449140e51bbb4133a2b4bfef310fefbdf3b4cac6e67efedd4a821ea4be/scine_chemoton-2.0.0.tar.gz (from https://pypi.org/simple/scine-chemoton/) (requires-python:>=3.6), version: 2.0.0 2025-10-10T02:29:28,227 Found link https://files.pythonhosted.org/packages/51/e3/d39e2dd58050b7a3a8c1c081a2754efc1d4158ea646c9443609608661ef6/scine_chemoton-2.1.0.tar.gz (from https://pypi.org/simple/scine-chemoton/) (requires-python:>=3.6), version: 2.1.0 2025-10-10T02:29:28,228 Found link https://files.pythonhosted.org/packages/9e/2c/3a11352d6a61564e8b4f804f1eb6963ce5d43e3c8db64051b9e452bb2f43/scine_chemoton-2.2.0.tar.gz (from https://pypi.org/simple/scine-chemoton/) (requires-python:>=3.6), version: 2.2.0 2025-10-10T02:29:28,229 Found link https://files.pythonhosted.org/packages/47/81/65f8d79d054ffd48cfa475f155c1a632bf5bdfc41be146744fb557a0d152/scine_chemoton-3.0.0.tar.gz (from https://pypi.org/simple/scine-chemoton/) (requires-python:>=3.6), version: 3.0.0 2025-10-10T02:29:28,230 Found link https://files.pythonhosted.org/packages/4e/d5/f7cf3f426b4ddb17a9d1be0a6d1961e36ca7792d3f355823d6fe8f5c1189/scine_chemoton-3.1.0.tar.gz (from https://pypi.org/simple/scine-chemoton/) (requires-python:>=3.6), version: 3.1.0 2025-10-10T02:29:28,231 Found link https://files.pythonhosted.org/packages/d0/ce/e839cfd9648546e17c546f96622c688b43a24e08441bd970bc23469d92f7/scine_chemoton-4.0.0.tar.gz (from https://pypi.org/simple/scine-chemoton/) (requires-python:>=3.6), version: 4.0.0 2025-10-10T02:29:28,233 Found link https://files.pythonhosted.org/packages/95/b4/410518abb0dd5be96f3ff4ac89353f93cf83713636ff659e01108572642a/scine_chemoton-4.1.0.tar.gz (from https://pypi.org/simple/scine-chemoton/) (requires-python:>=3.6), version: 4.1.0 2025-10-10T02:29:28,233 Fetching project page and analyzing links: https://www.piwheels.org/simple/scine-chemoton/ 2025-10-10T02:29:28,234 Getting page https://www.piwheels.org/simple/scine-chemoton/ 2025-10-10T02:29:28,236 Found index url https://www.piwheels.org/simple 2025-10-10T02:29:28,420 Fetched page https://www.piwheels.org/simple/scine-chemoton/ as text/html 2025-10-10T02:29:28,424 Skipping link: No binaries permitted for scine-chemoton: https://archive1.piwheels.org/simple/scine-chemoton/scine_chemoton-4.0.0-py3-none-any.whl#sha256=fd1232c063b0abd601eee2961e0ed138617f76949d21394c2eeb217915ab6359 (from https://www.piwheels.org/simple/scine-chemoton/) (requires-python:>=3.6) 2025-10-10T02:29:28,425 Skipping link: No binaries permitted for scine-chemoton: https://archive1.piwheels.org/simple/scine-chemoton/scine_chemoton-3.1.0-py3-none-any.whl#sha256=1df7499ea6c87fe5eacbe050514b814946087b7873503d5e3ebdc7d15f8a76ff (from https://www.piwheels.org/simple/scine-chemoton/) (requires-python:>=3.6) 2025-10-10T02:29:28,425 Skipping link: No binaries permitted for scine-chemoton: https://archive1.piwheels.org/simple/scine-chemoton/scine_chemoton-3.0.0-py3-none-any.whl#sha256=142b37dc057e4e04aba6221fb4e3091c233c070dc65225e6e46d7bacdbd428f3 (from https://www.piwheels.org/simple/scine-chemoton/) (requires-python:>=3.6) 2025-10-10T02:29:28,426 Skipping link: No binaries permitted for scine-chemoton: https://archive1.piwheels.org/simple/scine-chemoton/scine_chemoton-2.2.0-py3-none-any.whl#sha256=8534283be00754497ef18d27b3624e20c2e00eb97992ed0b90b953a799be48bf (from https://www.piwheels.org/simple/scine-chemoton/) (requires-python:>=3.6) 2025-10-10T02:29:28,427 Skipping link: No binaries permitted for scine-chemoton: https://archive1.piwheels.org/simple/scine-chemoton/scine_chemoton-2.1.0-py3-none-any.whl#sha256=934a5b4385907b7fb095a8ea1872c183f29e1cb7ba0226d17366582e56377cbd (from https://www.piwheels.org/simple/scine-chemoton/) (requires-python:>=3.6) 2025-10-10T02:29:28,427 Skipping link: No binaries permitted for scine-chemoton: https://archive1.piwheels.org/simple/scine-chemoton/scine_chemoton-2.0.0-py3-none-any.whl#sha256=f1d52dcc1346e1cb0359760384eeab841059dcd3e6bcf51e32220788e2f4fcae (from https://www.piwheels.org/simple/scine-chemoton/) (requires-python:>=3.6) 2025-10-10T02:29:28,428 Skipping link: not a file: https://www.piwheels.org/simple/scine-chemoton/ 2025-10-10T02:29:28,428 Skipping link: not a file: https://pypi.org/simple/scine-chemoton/ 2025-10-10T02:29:28,451 Given no hashes to check 1 links for project 'scine-chemoton': discarding no candidates 2025-10-10T02:29:28,472 Collecting scine-chemoton==4.1.0 2025-10-10T02:29:28,475 Created temporary directory: /tmp/pip-unpack-0q_4bp8m 2025-10-10T02:29:28,646 Downloading scine_chemoton-4.1.0.tar.gz (398 kB) 2025-10-10T02:29:29,170 Added scine-chemoton==4.1.0 from https://files.pythonhosted.org/packages/95/b4/410518abb0dd5be96f3ff4ac89353f93cf83713636ff659e01108572642a/scine_chemoton-4.1.0.tar.gz to build tracker '/tmp/pip-build-tracker-5skd4in2' 2025-10-10T02:29:29,172 Running setup.py (path:/tmp/pip-wheel-fuh1ymdd/scine-chemoton_b0de33fe8446420280bf6b6a86186117/setup.py) egg_info for package scine-chemoton 2025-10-10T02:29:29,173 Created temporary directory: /tmp/pip-pip-egg-info-6xgrhj5q 2025-10-10T02:29:29,174 Preparing metadata (setup.py): started 2025-10-10T02:29:29,175 Running command python setup.py egg_info 2025-10-10T02:29:29,788 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/dist.py:289: UserWarning: Unknown distribution option: 'test_suite' 2025-10-10T02:29:29,788 warnings.warn(msg) 2025-10-10T02:29:29,789 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/dist.py:289: UserWarning: Unknown distribution option: 'tests_require' 2025-10-10T02:29:29,790 warnings.warn(msg) 2025-10-10T02:29:30,113 /usr/local/lib/python3.11/dist-packages/setuptools/dist.py:759: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2025-10-10T02:29:30,114 !! 2025-10-10T02:29:30,116 ******************************************************************************** 2025-10-10T02:29:30,116 Please consider removing the following classifiers in favor of a SPDX license expression: 2025-10-10T02:29:30,118 License :: OSI Approved :: BSD License 2025-10-10T02:29:30,119 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2025-10-10T02:29:30,119 ******************************************************************************** 2025-10-10T02:29:30,121 !! 2025-10-10T02:29:30,121 self._finalize_license_expression() 2025-10-10T02:29:30,147 running egg_info 2025-10-10T02:29:30,221 creating /tmp/pip-pip-egg-info-6xgrhj5q/scine_chemoton.egg-info 2025-10-10T02:29:30,222 writing /tmp/pip-pip-egg-info-6xgrhj5q/scine_chemoton.egg-info/PKG-INFO 2025-10-10T02:29:30,226 writing dependency_links to /tmp/pip-pip-egg-info-6xgrhj5q/scine_chemoton.egg-info/dependency_links.txt 2025-10-10T02:29:30,228 writing entry points to /tmp/pip-pip-egg-info-6xgrhj5q/scine_chemoton.egg-info/entry_points.txt 2025-10-10T02:29:30,230 writing requirements to /tmp/pip-pip-egg-info-6xgrhj5q/scine_chemoton.egg-info/requires.txt 2025-10-10T02:29:30,231 writing top-level names to /tmp/pip-pip-egg-info-6xgrhj5q/scine_chemoton.egg-info/top_level.txt 2025-10-10T02:29:30,232 writing manifest file '/tmp/pip-pip-egg-info-6xgrhj5q/scine_chemoton.egg-info/SOURCES.txt' 2025-10-10T02:29:30,359 reading manifest file '/tmp/pip-pip-egg-info-6xgrhj5q/scine_chemoton.egg-info/SOURCES.txt' 2025-10-10T02:29:30,361 reading manifest template 'MANIFEST.in' 2025-10-10T02:29:30,362 warning: no files found matching 'LICENSE' 2025-10-10T02:29:30,364 warning: no previously-included files matching '__pycache__' found under directory '*' 2025-10-10T02:29:30,365 warning: no previously-included files matching '*.py[co]' found under directory '*' 2025-10-10T02:29:30,436 no previously-included directories found matching 'tests' 2025-10-10T02:29:30,437 adding license file 'LICENSE.txt' 2025-10-10T02:29:30,446 writing manifest file '/tmp/pip-pip-egg-info-6xgrhj5q/scine_chemoton.egg-info/SOURCES.txt' 2025-10-10T02:29:30,572 Preparing metadata (setup.py): finished with status 'done' 2025-10-10T02:29:30,577 Source in /tmp/pip-wheel-fuh1ymdd/scine-chemoton_b0de33fe8446420280bf6b6a86186117 has version 4.1.0, which satisfies requirement scine-chemoton==4.1.0 from https://files.pythonhosted.org/packages/95/b4/410518abb0dd5be96f3ff4ac89353f93cf83713636ff659e01108572642a/scine_chemoton-4.1.0.tar.gz 2025-10-10T02:29:30,578 Removed scine-chemoton==4.1.0 from https://files.pythonhosted.org/packages/95/b4/410518abb0dd5be96f3ff4ac89353f93cf83713636ff659e01108572642a/scine_chemoton-4.1.0.tar.gz from build tracker '/tmp/pip-build-tracker-5skd4in2' 2025-10-10T02:29:30,585 Created temporary directory: /tmp/pip-unpack-4z14mxme 2025-10-10T02:29:30,586 Building wheels for collected packages: scine-chemoton 2025-10-10T02:29:30,591 Created temporary directory: /tmp/pip-wheel-5woizznt 2025-10-10T02:29:30,592 Building wheel for scine-chemoton (setup.py): started 2025-10-10T02:29:30,593 Destination directory: /tmp/pip-wheel-5woizznt 2025-10-10T02:29:30,594 Running command python setup.py bdist_wheel 2025-10-10T02:29:31,221 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/dist.py:289: UserWarning: Unknown distribution option: 'test_suite' 2025-10-10T02:29:31,222 warnings.warn(msg) 2025-10-10T02:29:31,222 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/dist.py:289: UserWarning: Unknown distribution option: 'tests_require' 2025-10-10T02:29:31,223 warnings.warn(msg) 2025-10-10T02:29:31,534 /usr/local/lib/python3.11/dist-packages/setuptools/dist.py:759: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2025-10-10T02:29:31,535 !! 2025-10-10T02:29:31,536 ******************************************************************************** 2025-10-10T02:29:31,537 Please consider removing the following classifiers in favor of a SPDX license expression: 2025-10-10T02:29:31,538 License :: OSI Approved :: BSD License 2025-10-10T02:29:31,539 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2025-10-10T02:29:31,540 ******************************************************************************** 2025-10-10T02:29:31,541 !! 2025-10-10T02:29:31,542 self._finalize_license_expression() 2025-10-10T02:29:31,542 running bdist_wheel 2025-10-10T02:29:31,687 running build 2025-10-10T02:29:31,687 running build_py 2025-10-10T02:29:31,721 creating build/lib/scine_chemoton 2025-10-10T02:29:31,724 copying scine_chemoton/__init__.py -> build/lib/scine_chemoton 2025-10-10T02:29:31,727 copying scine_chemoton/engine.py -> build/lib/scine_chemoton 2025-10-10T02:29:31,730 copying scine_chemoton/surface_main.py -> build/lib/scine_chemoton 2025-10-10T02:29:31,733 copying scine_chemoton/default_settings.py -> build/lib/scine_chemoton 2025-10-10T02:29:31,735 copying scine_chemoton/_version.py -> build/lib/scine_chemoton 2025-10-10T02:29:31,737 copying scine_chemoton/__main__.py -> build/lib/scine_chemoton 2025-10-10T02:29:31,740 creating build/lib/scine_chemoton/utilities 2025-10-10T02:29:31,741 copying scine_chemoton/utilities/place_holder_model.py -> build/lib/scine_chemoton/utilities 2025-10-10T02:29:31,743 copying scine_chemoton/utilities/uncertainties.py -> build/lib/scine_chemoton/utilities 2025-10-10T02:29:31,746 copying scine_chemoton/utilities/comparisons.py -> build/lib/scine_chemoton/utilities 2025-10-10T02:29:31,748 copying scine_chemoton/utilities/get_molecular_formula.py -> build/lib/scine_chemoton/utilities 2025-10-10T02:29:31,750 copying scine_chemoton/utilities/model_combinations.py -> build/lib/scine_chemoton/utilities 2025-10-10T02:29:31,752 copying scine_chemoton/utilities/__init__.py -> build/lib/scine_chemoton/utilities 2025-10-10T02:29:31,754 copying scine_chemoton/utilities/warnings.py -> build/lib/scine_chemoton/utilities 2025-10-10T02:29:31,756 copying scine_chemoton/utilities/insert_initial_structure.py -> build/lib/scine_chemoton/utilities 2025-10-10T02:29:31,758 copying scine_chemoton/utilities/masm.py -> build/lib/scine_chemoton/utilities 2025-10-10T02:29:31,761 copying scine_chemoton/utilities/calculation_creation_helpers.py -> build/lib/scine_chemoton/utilities 2025-10-10T02:29:31,763 copying scine_chemoton/utilities/datastructure_transfer.py -> build/lib/scine_chemoton/utilities 2025-10-10T02:29:31,765 copying scine_chemoton/utilities/options.py -> build/lib/scine_chemoton/utilities 2025-10-10T02:29:31,768 creating build/lib/scine_chemoton/steering_wheel 2025-10-10T02:29:31,769 copying scine_chemoton/steering_wheel/result_transfer.py -> build/lib/scine_chemoton/steering_wheel 2025-10-10T02:29:31,771 copying scine_chemoton/steering_wheel/__init__.py -> build/lib/scine_chemoton/steering_wheel 2025-10-10T02:29:31,774 copying scine_chemoton/steering_wheel/datastructures.py -> build/lib/scine_chemoton/steering_wheel 2025-10-10T02:29:31,778 creating build/lib/scine_chemoton/gears 2025-10-10T02:29:31,779 copying scine_chemoton/gears/pathfinder.py -> build/lib/scine_chemoton/gears 2025-10-10T02:29:31,783 copying scine_chemoton/gears/kinetics.py -> build/lib/scine_chemoton/gears 2025-10-10T02:29:31,787 copying scine_chemoton/gears/single_point.py -> build/lib/scine_chemoton/gears 2025-10-10T02:29:31,789 copying scine_chemoton/gears/compound.py -> build/lib/scine_chemoton/gears 2025-10-10T02:29:31,792 copying scine_chemoton/gears/reaction.py -> build/lib/scine_chemoton/gears 2025-10-10T02:29:31,795 copying scine_chemoton/gears/__init__.py -> build/lib/scine_chemoton/gears 2025-10-10T02:29:31,797 copying scine_chemoton/gears/rerun_calculations.py -> build/lib/scine_chemoton/gears 2025-10-10T02:29:31,800 copying scine_chemoton/gears/thermo.py -> build/lib/scine_chemoton/gears 2025-10-10T02:29:31,802 copying scine_chemoton/gears/scheduler.py -> build/lib/scine_chemoton/gears 2025-10-10T02:29:31,805 creating build/lib/scine_chemoton/resources 2025-10-10T02:29:31,806 copying scine_chemoton/resources/__init__.py -> build/lib/scine_chemoton/resources 2025-10-10T02:29:31,809 creating build/lib/scine_chemoton/filters 2025-10-10T02:29:31,810 copying scine_chemoton/filters/reactive_site_filters.py -> build/lib/scine_chemoton/filters 2025-10-10T02:29:31,813 copying scine_chemoton/filters/__init__.py -> build/lib/scine_chemoton/filters 2025-10-10T02:29:31,815 copying scine_chemoton/filters/elementary_step_filters.py -> build/lib/scine_chemoton/filters 2025-10-10T02:29:31,817 copying scine_chemoton/filters/aggregate_filters.py -> build/lib/scine_chemoton/filters 2025-10-10T02:29:31,821 copying scine_chemoton/filters/structure_filters.py -> build/lib/scine_chemoton/filters 2025-10-10T02:29:31,823 copying scine_chemoton/filters/further_exploration_filters.py -> build/lib/scine_chemoton/filters 2025-10-10T02:29:31,826 copying scine_chemoton/filters/reaction_filters.py -> build/lib/scine_chemoton/filters 2025-10-10T02:29:31,829 creating build/lib/scine_chemoton/reaction_rules 2025-10-10T02:29:31,830 copying scine_chemoton/reaction_rules/distance_rules.py -> build/lib/scine_chemoton/reaction_rules 2025-10-10T02:29:31,833 copying scine_chemoton/reaction_rules/polarization_rules.py -> build/lib/scine_chemoton/reaction_rules 2025-10-10T02:29:31,835 copying scine_chemoton/reaction_rules/element_rules.py -> build/lib/scine_chemoton/reaction_rules 2025-10-10T02:29:31,837 copying scine_chemoton/reaction_rules/__init__.py -> build/lib/scine_chemoton/reaction_rules 2025-10-10T02:29:31,839 copying scine_chemoton/reaction_rules/reaction_rule_library.py -> build/lib/scine_chemoton/reaction_rules 2025-10-10T02:29:31,842 creating build/lib/scine_chemoton/utilities/db_object_wrappers 2025-10-10T02:29:31,843 copying scine_chemoton/utilities/db_object_wrappers/ensemble_wrapper.py -> build/lib/scine_chemoton/utilities/db_object_wrappers 2025-10-10T02:29:31,846 copying scine_chemoton/utilities/db_object_wrappers/reaction_wrapper.py -> build/lib/scine_chemoton/utilities/db_object_wrappers 2025-10-10T02:29:31,848 copying scine_chemoton/utilities/db_object_wrappers/__init__.py -> build/lib/scine_chemoton/utilities/db_object_wrappers 2025-10-10T02:29:31,850 copying scine_chemoton/utilities/db_object_wrappers/reaction_cache.py -> build/lib/scine_chemoton/utilities/db_object_wrappers 2025-10-10T02:29:31,852 copying scine_chemoton/utilities/db_object_wrappers/aggregate_wrapper.py -> build/lib/scine_chemoton/utilities/db_object_wrappers 2025-10-10T02:29:31,854 copying scine_chemoton/utilities/db_object_wrappers/thermodynamic_properties.py -> build/lib/scine_chemoton/utilities/db_object_wrappers 2025-10-10T02:29:31,857 copying scine_chemoton/utilities/db_object_wrappers/aggregate_cache.py -> build/lib/scine_chemoton/utilities/db_object_wrappers 2025-10-10T02:29:31,859 copying scine_chemoton/utilities/db_object_wrappers/wrapper_caches.py -> build/lib/scine_chemoton/utilities/db_object_wrappers 2025-10-10T02:29:31,862 creating build/lib/scine_chemoton/utilities/kinetics 2025-10-10T02:29:31,863 copying scine_chemoton/utilities/kinetics/eckart_tunneling.py -> build/lib/scine_chemoton/utilities/kinetics 2025-10-10T02:29:31,866 copying scine_chemoton/utilities/kinetics/__init__.py -> build/lib/scine_chemoton/utilities/kinetics 2025-10-10T02:29:31,868 creating build/lib/scine_chemoton/utilities/surfaces 2025-10-10T02:29:31,869 copying scine_chemoton/utilities/surfaces/property_names.py -> build/lib/scine_chemoton/utilities/surfaces 2025-10-10T02:29:31,871 copying scine_chemoton/utilities/surfaces/__init__.py -> build/lib/scine_chemoton/utilities/surfaces 2025-10-10T02:29:31,873 copying scine_chemoton/utilities/surfaces/pymatgen_interface.py -> build/lib/scine_chemoton/utilities/surfaces 2025-10-10T02:29:31,876 copying scine_chemoton/utilities/surfaces/periodic_utils.py -> build/lib/scine_chemoton/utilities/surfaces 2025-10-10T02:29:31,879 copying scine_chemoton/utilities/surfaces/cohesive_energies.py -> build/lib/scine_chemoton/utilities/surfaces 2025-10-10T02:29:31,881 creating build/lib/scine_chemoton/utilities/reactive_complexes 2025-10-10T02:29:31,883 copying scine_chemoton/utilities/reactive_complexes/__init__.py -> build/lib/scine_chemoton/utilities/reactive_complexes 2025-10-10T02:29:31,885 copying scine_chemoton/utilities/reactive_complexes/unit_circle.py -> build/lib/scine_chemoton/utilities/reactive_complexes 2025-10-10T02:29:31,887 copying scine_chemoton/utilities/reactive_complexes/lebedev_sphere.py -> build/lib/scine_chemoton/utilities/reactive_complexes 2025-10-10T02:29:31,900 copying scine_chemoton/utilities/reactive_complexes/adsorption.py -> build/lib/scine_chemoton/utilities/reactive_complexes 2025-10-10T02:29:31,904 copying scine_chemoton/utilities/reactive_complexes/inter_reactive_complexes.py -> build/lib/scine_chemoton/utilities/reactive_complexes 2025-10-10T02:29:31,907 creating build/lib/scine_chemoton/steering_wheel/network_expansions 2025-10-10T02:29:31,908 copying scine_chemoton/steering_wheel/network_expansions/__init__.py -> build/lib/scine_chemoton/steering_wheel/network_expansions 2025-10-10T02:29:31,911 copying scine_chemoton/steering_wheel/network_expansions/conformers.py -> build/lib/scine_chemoton/steering_wheel/network_expansions 2025-10-10T02:29:31,913 copying scine_chemoton/steering_wheel/network_expansions/reactions.py -> build/lib/scine_chemoton/steering_wheel/network_expansions 2025-10-10T02:29:31,916 copying scine_chemoton/steering_wheel/network_expansions/basics.py -> build/lib/scine_chemoton/steering_wheel/network_expansions 2025-10-10T02:29:31,919 creating build/lib/scine_chemoton/steering_wheel/selections 2025-10-10T02:29:31,920 copying scine_chemoton/steering_wheel/selections/__init__.py -> build/lib/scine_chemoton/steering_wheel/selections 2025-10-10T02:29:31,923 copying scine_chemoton/steering_wheel/selections/conformers.py -> build/lib/scine_chemoton/steering_wheel/selections 2025-10-10T02:29:31,925 copying scine_chemoton/steering_wheel/selections/input_selections.py -> build/lib/scine_chemoton/steering_wheel/selections 2025-10-10T02:29:31,927 copying scine_chemoton/steering_wheel/selections/organometallic_complexes.py -> build/lib/scine_chemoton/steering_wheel/selections 2025-10-10T02:29:31,929 copying scine_chemoton/steering_wheel/selections/basics.py -> build/lib/scine_chemoton/steering_wheel/selections 2025-10-10T02:29:31,932 creating build/lib/scine_chemoton/gears/conformers 2025-10-10T02:29:31,933 copying scine_chemoton/gears/conformers/brute_force.py -> build/lib/scine_chemoton/gears/conformers 2025-10-10T02:29:31,936 copying scine_chemoton/gears/conformers/__init__.py -> build/lib/scine_chemoton/gears/conformers 2025-10-10T02:29:31,938 creating build/lib/scine_chemoton/gears/elementary_steps 2025-10-10T02:29:31,939 copying scine_chemoton/gears/elementary_steps/minimum_energy_conformer.py -> build/lib/scine_chemoton/gears/elementary_steps 2025-10-10T02:29:31,942 copying scine_chemoton/gears/elementary_steps/brute_force.py -> build/lib/scine_chemoton/gears/elementary_steps 2025-10-10T02:29:31,944 copying scine_chemoton/gears/elementary_steps/selected_structures.py -> build/lib/scine_chemoton/gears/elementary_steps 2025-10-10T02:29:31,946 copying scine_chemoton/gears/elementary_steps/__init__.py -> build/lib/scine_chemoton/gears/elementary_steps 2025-10-10T02:29:31,949 copying scine_chemoton/gears/elementary_steps/minimal.py -> build/lib/scine_chemoton/gears/elementary_steps 2025-10-10T02:29:31,951 creating build/lib/scine_chemoton/gears/network_refinement 2025-10-10T02:29:31,952 copying scine_chemoton/gears/network_refinement/reaction_based_refinement.py -> build/lib/scine_chemoton/gears/network_refinement 2025-10-10T02:29:31,955 copying scine_chemoton/gears/network_refinement/enabling.py -> build/lib/scine_chemoton/gears/network_refinement 2025-10-10T02:29:31,958 copying scine_chemoton/gears/network_refinement/refinement.py -> build/lib/scine_chemoton/gears/network_refinement 2025-10-10T02:29:31,961 copying scine_chemoton/gears/network_refinement/disabling.py -> build/lib/scine_chemoton/gears/network_refinement 2025-10-10T02:29:31,963 copying scine_chemoton/gears/network_refinement/__init__.py -> build/lib/scine_chemoton/gears/network_refinement 2025-10-10T02:29:31,965 copying scine_chemoton/gears/network_refinement/aggregate_based_refinement.py -> build/lib/scine_chemoton/gears/network_refinement 2025-10-10T02:29:31,968 copying scine_chemoton/gears/network_refinement/calculation_based_refinement.py -> build/lib/scine_chemoton/gears/network_refinement 2025-10-10T02:29:31,971 creating build/lib/scine_chemoton/gears/kinetic_modeling 2025-10-10T02:29:31,972 copying scine_chemoton/gears/kinetic_modeling/prepare_kinetic_modeling_job.py -> build/lib/scine_chemoton/gears/kinetic_modeling 2025-10-10T02:29:31,975 copying scine_chemoton/gears/kinetic_modeling/__init__.py -> build/lib/scine_chemoton/gears/kinetic_modeling 2025-10-10T02:29:31,977 copying scine_chemoton/gears/kinetic_modeling/atomization.py -> build/lib/scine_chemoton/gears/kinetic_modeling 2025-10-10T02:29:31,980 copying scine_chemoton/gears/kinetic_modeling/rms_microcanonical_kinetic_modeling.py -> build/lib/scine_chemoton/gears/kinetic_modeling 2025-10-10T02:29:31,982 copying scine_chemoton/gears/kinetic_modeling/rms_network_extractor.py -> build/lib/scine_chemoton/gears/kinetic_modeling 2025-10-10T02:29:31,984 copying scine_chemoton/gears/kinetic_modeling/rms_kinetic_modeling.py -> build/lib/scine_chemoton/gears/kinetic_modeling 2025-10-10T02:29:31,987 copying scine_chemoton/gears/kinetic_modeling/kinetx_kinetic_modeling.py -> build/lib/scine_chemoton/gears/kinetic_modeling 2025-10-10T02:29:31,989 creating build/lib/scine_chemoton/gears/elementary_steps/trial_generator 2025-10-10T02:29:31,991 copying scine_chemoton/gears/elementary_steps/trial_generator/fragment_based.py -> build/lib/scine_chemoton/gears/elementary_steps/trial_generator 2025-10-10T02:29:31,994 copying scine_chemoton/gears/elementary_steps/trial_generator/fast_dissociations.py -> build/lib/scine_chemoton/gears/elementary_steps/trial_generator 2025-10-10T02:29:31,997 copying scine_chemoton/gears/elementary_steps/trial_generator/connectivity_analyzer.py -> build/lib/scine_chemoton/gears/elementary_steps/trial_generator 2025-10-10T02:29:31,999 copying scine_chemoton/gears/elementary_steps/trial_generator/adsorptions.py -> build/lib/scine_chemoton/gears/elementary_steps/trial_generator 2025-10-10T02:29:32,002 copying scine_chemoton/gears/elementary_steps/trial_generator/bond_based.py -> build/lib/scine_chemoton/gears/elementary_steps/trial_generator 2025-10-10T02:29:32,005 copying scine_chemoton/gears/elementary_steps/trial_generator/__init__.py -> build/lib/scine_chemoton/gears/elementary_steps/trial_generator 2025-10-10T02:29:32,008 copying scine_chemoton/gears/elementary_steps/trial_generator/template_based.py -> build/lib/scine_chemoton/gears/elementary_steps/trial_generator 2025-10-10T02:29:32,011 creating build/lib/scine_chemoton/gears/network_refinement/structure_refinement 2025-10-10T02:29:32,012 copying scine_chemoton/gears/network_refinement/structure_refinement/minimum_structure_reoptimization.py -> build/lib/scine_chemoton/gears/network_refinement/structure_refinement 2025-10-10T02:29:32,015 copying scine_chemoton/gears/network_refinement/structure_refinement/__init__.py -> build/lib/scine_chemoton/gears/network_refinement/structure_refinement 2025-10-10T02:29:32,017 copying scine_chemoton/gears/network_refinement/structure_refinement/ts_refinement.py -> build/lib/scine_chemoton/gears/network_refinement/structure_refinement 2025-10-10T02:29:32,019 running egg_info 2025-10-10T02:29:32,050 writing scine_chemoton.egg-info/PKG-INFO 2025-10-10T02:29:32,054 writing dependency_links to scine_chemoton.egg-info/dependency_links.txt 2025-10-10T02:29:32,056 writing entry points to scine_chemoton.egg-info/entry_points.txt 2025-10-10T02:29:32,057 writing requirements to scine_chemoton.egg-info/requires.txt 2025-10-10T02:29:32,059 writing top-level names to scine_chemoton.egg-info/top_level.txt 2025-10-10T02:29:32,112 reading manifest file 'scine_chemoton.egg-info/SOURCES.txt' 2025-10-10T02:29:32,123 reading manifest template 'MANIFEST.in' 2025-10-10T02:29:32,124 warning: no files found matching 'LICENSE' 2025-10-10T02:29:32,126 warning: no previously-included files matching '__pycache__' found under directory '*' 2025-10-10T02:29:32,127 warning: no previously-included files matching '*.py[co]' found under directory '*' 2025-10-10T02:29:32,192 no previously-included directories found matching 'tests' 2025-10-10T02:29:32,193 adding license file 'LICENSE.txt' 2025-10-10T02:29:32,204 writing manifest file 'scine_chemoton.egg-info/SOURCES.txt' 2025-10-10T02:29:32,219 copying scine_chemoton/resources/methanol.xyz -> build/lib/scine_chemoton/resources 2025-10-10T02:29:32,221 copying scine_chemoton/resources/formaldehyde.xyz -> build/lib/scine_chemoton/resources 2025-10-10T02:29:32,263 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/cmd.py:90: SetuptoolsDeprecationWarning: setup.py install is deprecated. 2025-10-10T02:29:32,264 !! 2025-10-10T02:29:32,265 ******************************************************************************** 2025-10-10T02:29:32,265 Please avoid running ``setup.py`` directly. 2025-10-10T02:29:32,266 Instead, use pypa/build, pypa/installer or other 2025-10-10T02:29:32,266 standards-based tools. 2025-10-10T02:29:32,267 By 2025-Oct-31, you need to update your project and remove deprecated calls 2025-10-10T02:29:32,268 or your builds will no longer be supported. 2025-10-10T02:29:32,269 See https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.html for details. 2025-10-10T02:29:32,270 ******************************************************************************** 2025-10-10T02:29:32,271 !! 2025-10-10T02:29:32,271 self.initialize_options() 2025-10-10T02:29:32,294 installing to build/bdist.linux-armv7l/wheel 2025-10-10T02:29:32,295 running install 2025-10-10T02:29:32,320 running install_lib 2025-10-10T02:29:32,350 creating build/bdist.linux-armv7l/wheel 2025-10-10T02:29:32,352 creating build/bdist.linux-armv7l/wheel/scine_chemoton 2025-10-10T02:29:32,354 creating build/bdist.linux-armv7l/wheel/scine_chemoton/utilities 2025-10-10T02:29:32,355 copying build/lib/scine_chemoton/utilities/place_holder_model.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/utilities 2025-10-10T02:29:32,358 copying build/lib/scine_chemoton/utilities/uncertainties.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/utilities 2025-10-10T02:29:32,360 copying build/lib/scine_chemoton/utilities/comparisons.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/utilities 2025-10-10T02:29:32,362 copying build/lib/scine_chemoton/utilities/get_molecular_formula.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/utilities 2025-10-10T02:29:32,364 copying build/lib/scine_chemoton/utilities/model_combinations.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/utilities 2025-10-10T02:29:32,367 creating build/bdist.linux-armv7l/wheel/scine_chemoton/utilities/db_object_wrappers 2025-10-10T02:29:32,368 copying build/lib/scine_chemoton/utilities/db_object_wrappers/ensemble_wrapper.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/utilities/db_object_wrappers 2025-10-10T02:29:32,371 copying build/lib/scine_chemoton/utilities/db_object_wrappers/reaction_wrapper.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/utilities/db_object_wrappers 2025-10-10T02:29:32,374 copying build/lib/scine_chemoton/utilities/db_object_wrappers/__init__.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/utilities/db_object_wrappers 2025-10-10T02:29:32,376 copying build/lib/scine_chemoton/utilities/db_object_wrappers/reaction_cache.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/utilities/db_object_wrappers 2025-10-10T02:29:32,378 copying build/lib/scine_chemoton/utilities/db_object_wrappers/aggregate_wrapper.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/utilities/db_object_wrappers 2025-10-10T02:29:32,380 copying build/lib/scine_chemoton/utilities/db_object_wrappers/thermodynamic_properties.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/utilities/db_object_wrappers 2025-10-10T02:29:32,383 copying build/lib/scine_chemoton/utilities/db_object_wrappers/aggregate_cache.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/utilities/db_object_wrappers 2025-10-10T02:29:32,385 copying build/lib/scine_chemoton/utilities/db_object_wrappers/wrapper_caches.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/utilities/db_object_wrappers 2025-10-10T02:29:32,387 copying build/lib/scine_chemoton/utilities/__init__.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/utilities 2025-10-10T02:29:32,390 creating build/bdist.linux-armv7l/wheel/scine_chemoton/utilities/kinetics 2025-10-10T02:29:32,391 copying build/lib/scine_chemoton/utilities/kinetics/eckart_tunneling.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/utilities/kinetics 2025-10-10T02:29:32,393 copying build/lib/scine_chemoton/utilities/kinetics/__init__.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/utilities/kinetics 2025-10-10T02:29:32,395 copying build/lib/scine_chemoton/utilities/warnings.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/utilities 2025-10-10T02:29:32,397 copying build/lib/scine_chemoton/utilities/insert_initial_structure.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/utilities 2025-10-10T02:29:32,400 creating build/bdist.linux-armv7l/wheel/scine_chemoton/utilities/surfaces 2025-10-10T02:29:32,401 copying build/lib/scine_chemoton/utilities/surfaces/property_names.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/utilities/surfaces 2025-10-10T02:29:32,403 copying build/lib/scine_chemoton/utilities/surfaces/__init__.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/utilities/surfaces 2025-10-10T02:29:32,405 copying build/lib/scine_chemoton/utilities/surfaces/pymatgen_interface.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/utilities/surfaces 2025-10-10T02:29:32,408 copying build/lib/scine_chemoton/utilities/surfaces/periodic_utils.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/utilities/surfaces 2025-10-10T02:29:32,411 copying build/lib/scine_chemoton/utilities/surfaces/cohesive_energies.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/utilities/surfaces 2025-10-10T02:29:32,413 copying build/lib/scine_chemoton/utilities/masm.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/utilities 2025-10-10T02:29:32,415 copying build/lib/scine_chemoton/utilities/calculation_creation_helpers.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/utilities 2025-10-10T02:29:32,417 copying build/lib/scine_chemoton/utilities/datastructure_transfer.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/utilities 2025-10-10T02:29:32,420 copying build/lib/scine_chemoton/utilities/options.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/utilities 2025-10-10T02:29:32,423 creating build/bdist.linux-armv7l/wheel/scine_chemoton/utilities/reactive_complexes 2025-10-10T02:29:32,424 copying build/lib/scine_chemoton/utilities/reactive_complexes/__init__.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/utilities/reactive_complexes 2025-10-10T02:29:32,426 copying build/lib/scine_chemoton/utilities/reactive_complexes/unit_circle.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/utilities/reactive_complexes 2025-10-10T02:29:32,429 copying build/lib/scine_chemoton/utilities/reactive_complexes/lebedev_sphere.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/utilities/reactive_complexes 2025-10-10T02:29:32,440 copying build/lib/scine_chemoton/utilities/reactive_complexes/adsorption.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/utilities/reactive_complexes 2025-10-10T02:29:32,444 copying build/lib/scine_chemoton/utilities/reactive_complexes/inter_reactive_complexes.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/utilities/reactive_complexes 2025-10-10T02:29:32,447 copying build/lib/scine_chemoton/__init__.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton 2025-10-10T02:29:32,450 copying build/lib/scine_chemoton/engine.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton 2025-10-10T02:29:32,453 copying build/lib/scine_chemoton/surface_main.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton 2025-10-10T02:29:32,457 creating build/bdist.linux-armv7l/wheel/scine_chemoton/steering_wheel 2025-10-10T02:29:32,458 copying build/lib/scine_chemoton/steering_wheel/result_transfer.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/steering_wheel 2025-10-10T02:29:32,461 copying build/lib/scine_chemoton/steering_wheel/__init__.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/steering_wheel 2025-10-10T02:29:32,465 creating build/bdist.linux-armv7l/wheel/scine_chemoton/steering_wheel/network_expansions 2025-10-10T02:29:32,467 copying build/lib/scine_chemoton/steering_wheel/network_expansions/__init__.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/steering_wheel/network_expansions 2025-10-10T02:29:32,470 copying build/lib/scine_chemoton/steering_wheel/network_expansions/conformers.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/steering_wheel/network_expansions 2025-10-10T02:29:32,472 copying build/lib/scine_chemoton/steering_wheel/network_expansions/reactions.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/steering_wheel/network_expansions 2025-10-10T02:29:32,475 copying build/lib/scine_chemoton/steering_wheel/network_expansions/basics.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/steering_wheel/network_expansions 2025-10-10T02:29:32,479 creating build/bdist.linux-armv7l/wheel/scine_chemoton/steering_wheel/selections 2025-10-10T02:29:32,480 copying build/lib/scine_chemoton/steering_wheel/selections/__init__.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/steering_wheel/selections 2025-10-10T02:29:32,484 copying build/lib/scine_chemoton/steering_wheel/selections/conformers.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/steering_wheel/selections 2025-10-10T02:29:32,487 copying build/lib/scine_chemoton/steering_wheel/selections/input_selections.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/steering_wheel/selections 2025-10-10T02:29:32,489 copying build/lib/scine_chemoton/steering_wheel/selections/organometallic_complexes.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/steering_wheel/selections 2025-10-10T02:29:32,492 copying build/lib/scine_chemoton/steering_wheel/selections/basics.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/steering_wheel/selections 2025-10-10T02:29:32,495 copying build/lib/scine_chemoton/steering_wheel/datastructures.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/steering_wheel 2025-10-10T02:29:32,498 copying build/lib/scine_chemoton/default_settings.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton 2025-10-10T02:29:32,501 creating build/bdist.linux-armv7l/wheel/scine_chemoton/gears 2025-10-10T02:29:32,503 copying build/lib/scine_chemoton/gears/pathfinder.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears 2025-10-10T02:29:32,507 copying build/lib/scine_chemoton/gears/kinetics.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears 2025-10-10T02:29:32,511 creating build/bdist.linux-armv7l/wheel/scine_chemoton/gears/conformers 2025-10-10T02:29:32,513 copying build/lib/scine_chemoton/gears/conformers/brute_force.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears/conformers 2025-10-10T02:29:32,516 copying build/lib/scine_chemoton/gears/conformers/__init__.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears/conformers 2025-10-10T02:29:32,518 copying build/lib/scine_chemoton/gears/single_point.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears 2025-10-10T02:29:32,521 copying build/lib/scine_chemoton/gears/compound.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears 2025-10-10T02:29:32,524 copying build/lib/scine_chemoton/gears/reaction.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears 2025-10-10T02:29:32,527 copying build/lib/scine_chemoton/gears/__init__.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears 2025-10-10T02:29:32,530 copying build/lib/scine_chemoton/gears/rerun_calculations.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears 2025-10-10T02:29:32,534 creating build/bdist.linux-armv7l/wheel/scine_chemoton/gears/elementary_steps 2025-10-10T02:29:32,535 copying build/lib/scine_chemoton/gears/elementary_steps/minimum_energy_conformer.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears/elementary_steps 2025-10-10T02:29:32,538 copying build/lib/scine_chemoton/gears/elementary_steps/brute_force.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears/elementary_steps 2025-10-10T02:29:32,541 copying build/lib/scine_chemoton/gears/elementary_steps/selected_structures.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears/elementary_steps 2025-10-10T02:29:32,543 copying build/lib/scine_chemoton/gears/elementary_steps/__init__.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears/elementary_steps 2025-10-10T02:29:32,547 copying build/lib/scine_chemoton/gears/elementary_steps/minimal.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears/elementary_steps 2025-10-10T02:29:32,550 creating build/bdist.linux-armv7l/wheel/scine_chemoton/gears/elementary_steps/trial_generator 2025-10-10T02:29:32,551 copying build/lib/scine_chemoton/gears/elementary_steps/trial_generator/fragment_based.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears/elementary_steps/trial_generator 2025-10-10T02:29:32,555 copying build/lib/scine_chemoton/gears/elementary_steps/trial_generator/fast_dissociations.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears/elementary_steps/trial_generator 2025-10-10T02:29:32,558 copying build/lib/scine_chemoton/gears/elementary_steps/trial_generator/connectivity_analyzer.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears/elementary_steps/trial_generator 2025-10-10T02:29:32,561 copying build/lib/scine_chemoton/gears/elementary_steps/trial_generator/adsorptions.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears/elementary_steps/trial_generator 2025-10-10T02:29:32,564 copying build/lib/scine_chemoton/gears/elementary_steps/trial_generator/bond_based.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears/elementary_steps/trial_generator 2025-10-10T02:29:32,568 copying build/lib/scine_chemoton/gears/elementary_steps/trial_generator/__init__.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears/elementary_steps/trial_generator 2025-10-10T02:29:32,571 copying build/lib/scine_chemoton/gears/elementary_steps/trial_generator/template_based.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears/elementary_steps/trial_generator 2025-10-10T02:29:32,575 creating build/bdist.linux-armv7l/wheel/scine_chemoton/gears/network_refinement 2025-10-10T02:29:32,576 copying build/lib/scine_chemoton/gears/network_refinement/reaction_based_refinement.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears/network_refinement 2025-10-10T02:29:32,579 copying build/lib/scine_chemoton/gears/network_refinement/enabling.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears/network_refinement 2025-10-10T02:29:32,582 copying build/lib/scine_chemoton/gears/network_refinement/refinement.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears/network_refinement 2025-10-10T02:29:32,586 creating build/bdist.linux-armv7l/wheel/scine_chemoton/gears/network_refinement/structure_refinement 2025-10-10T02:29:32,587 copying build/lib/scine_chemoton/gears/network_refinement/structure_refinement/minimum_structure_reoptimization.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears/network_refinement/structure_refinement 2025-10-10T02:29:32,589 copying build/lib/scine_chemoton/gears/network_refinement/structure_refinement/__init__.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears/network_refinement/structure_refinement 2025-10-10T02:29:32,592 copying build/lib/scine_chemoton/gears/network_refinement/structure_refinement/ts_refinement.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears/network_refinement/structure_refinement 2025-10-10T02:29:32,594 copying build/lib/scine_chemoton/gears/network_refinement/disabling.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears/network_refinement 2025-10-10T02:29:32,597 copying build/lib/scine_chemoton/gears/network_refinement/__init__.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears/network_refinement 2025-10-10T02:29:32,599 copying build/lib/scine_chemoton/gears/network_refinement/aggregate_based_refinement.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears/network_refinement 2025-10-10T02:29:32,601 copying build/lib/scine_chemoton/gears/network_refinement/calculation_based_refinement.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears/network_refinement 2025-10-10T02:29:32,604 copying build/lib/scine_chemoton/gears/thermo.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears 2025-10-10T02:29:32,607 creating build/bdist.linux-armv7l/wheel/scine_chemoton/gears/kinetic_modeling 2025-10-10T02:29:32,608 copying build/lib/scine_chemoton/gears/kinetic_modeling/prepare_kinetic_modeling_job.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears/kinetic_modeling 2025-10-10T02:29:32,610 copying build/lib/scine_chemoton/gears/kinetic_modeling/__init__.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears/kinetic_modeling 2025-10-10T02:29:32,613 copying build/lib/scine_chemoton/gears/kinetic_modeling/atomization.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears/kinetic_modeling 2025-10-10T02:29:32,616 copying build/lib/scine_chemoton/gears/kinetic_modeling/rms_microcanonical_kinetic_modeling.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears/kinetic_modeling 2025-10-10T02:29:32,618 copying build/lib/scine_chemoton/gears/kinetic_modeling/rms_network_extractor.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears/kinetic_modeling 2025-10-10T02:29:32,620 copying build/lib/scine_chemoton/gears/kinetic_modeling/rms_kinetic_modeling.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears/kinetic_modeling 2025-10-10T02:29:32,623 copying build/lib/scine_chemoton/gears/kinetic_modeling/kinetx_kinetic_modeling.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears/kinetic_modeling 2025-10-10T02:29:32,625 copying build/lib/scine_chemoton/gears/scheduler.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/gears 2025-10-10T02:29:32,627 copying build/lib/scine_chemoton/_version.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton 2025-10-10T02:29:32,629 copying build/lib/scine_chemoton/__main__.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton 2025-10-10T02:29:32,632 creating build/bdist.linux-armv7l/wheel/scine_chemoton/resources 2025-10-10T02:29:32,633 copying build/lib/scine_chemoton/resources/__init__.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/resources 2025-10-10T02:29:32,635 copying build/lib/scine_chemoton/resources/methanol.xyz -> build/bdist.linux-armv7l/wheel/./scine_chemoton/resources 2025-10-10T02:29:32,637 copying build/lib/scine_chemoton/resources/formaldehyde.xyz -> build/bdist.linux-armv7l/wheel/./scine_chemoton/resources 2025-10-10T02:29:32,639 creating build/bdist.linux-armv7l/wheel/scine_chemoton/filters 2025-10-10T02:29:32,640 copying build/lib/scine_chemoton/filters/reactive_site_filters.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/filters 2025-10-10T02:29:32,644 copying build/lib/scine_chemoton/filters/__init__.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/filters 2025-10-10T02:29:32,646 copying build/lib/scine_chemoton/filters/elementary_step_filters.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/filters 2025-10-10T02:29:32,648 copying build/lib/scine_chemoton/filters/aggregate_filters.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/filters 2025-10-10T02:29:32,652 copying build/lib/scine_chemoton/filters/structure_filters.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/filters 2025-10-10T02:29:32,654 copying build/lib/scine_chemoton/filters/further_exploration_filters.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/filters 2025-10-10T02:29:32,657 copying build/lib/scine_chemoton/filters/reaction_filters.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/filters 2025-10-10T02:29:32,660 creating build/bdist.linux-armv7l/wheel/scine_chemoton/reaction_rules 2025-10-10T02:29:32,661 copying build/lib/scine_chemoton/reaction_rules/distance_rules.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/reaction_rules 2025-10-10T02:29:32,664 copying build/lib/scine_chemoton/reaction_rules/polarization_rules.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/reaction_rules 2025-10-10T02:29:32,667 copying build/lib/scine_chemoton/reaction_rules/element_rules.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/reaction_rules 2025-10-10T02:29:32,669 copying build/lib/scine_chemoton/reaction_rules/__init__.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/reaction_rules 2025-10-10T02:29:32,671 copying build/lib/scine_chemoton/reaction_rules/reaction_rule_library.py -> build/bdist.linux-armv7l/wheel/./scine_chemoton/reaction_rules 2025-10-10T02:29:32,673 running install_egg_info 2025-10-10T02:29:32,710 Copying scine_chemoton.egg-info to build/bdist.linux-armv7l/wheel/./scine_chemoton-4.1.0-py3.11.egg-info 2025-10-10T02:29:32,724 running install_scripts 2025-10-10T02:29:32,738 creating build/bdist.linux-armv7l/wheel/scine_chemoton-4.1.0.dist-info/WHEEL 2025-10-10T02:29:32,740 creating '/tmp/pip-wheel-5woizznt/scine_chemoton-4.1.0-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2025-10-10T02:29:32,743 adding 'scine_chemoton/__init__.py' 2025-10-10T02:29:32,746 adding 'scine_chemoton/__main__.py' 2025-10-10T02:29:32,747 adding 'scine_chemoton/_version.py' 2025-10-10T02:29:32,749 adding 'scine_chemoton/default_settings.py' 2025-10-10T02:29:32,750 adding 'scine_chemoton/engine.py' 2025-10-10T02:29:32,753 adding 'scine_chemoton/surface_main.py' 2025-10-10T02:29:32,755 adding 'scine_chemoton/filters/__init__.py' 2025-10-10T02:29:32,762 adding 'scine_chemoton/filters/aggregate_filters.py' 2025-10-10T02:29:32,764 adding 'scine_chemoton/filters/elementary_step_filters.py' 2025-10-10T02:29:32,766 adding 'scine_chemoton/filters/further_exploration_filters.py' 2025-10-10T02:29:32,769 adding 'scine_chemoton/filters/reaction_filters.py' 2025-10-10T02:29:32,775 adding 'scine_chemoton/filters/reactive_site_filters.py' 2025-10-10T02:29:32,778 adding 'scine_chemoton/filters/structure_filters.py' 2025-10-10T02:29:32,781 adding 'scine_chemoton/gears/__init__.py' 2025-10-10T02:29:32,784 adding 'scine_chemoton/gears/compound.py' 2025-10-10T02:29:32,789 adding 'scine_chemoton/gears/kinetics.py' 2025-10-10T02:29:32,800 adding 'scine_chemoton/gears/pathfinder.py' 2025-10-10T02:29:32,803 adding 'scine_chemoton/gears/reaction.py' 2025-10-10T02:29:32,805 adding 'scine_chemoton/gears/rerun_calculations.py' 2025-10-10T02:29:32,807 adding 'scine_chemoton/gears/scheduler.py' 2025-10-10T02:29:32,809 adding 'scine_chemoton/gears/single_point.py' 2025-10-10T02:29:32,811 adding 'scine_chemoton/gears/thermo.py' 2025-10-10T02:29:32,813 adding 'scine_chemoton/gears/conformers/__init__.py' 2025-10-10T02:29:32,815 adding 'scine_chemoton/gears/conformers/brute_force.py' 2025-10-10T02:29:32,819 adding 'scine_chemoton/gears/elementary_steps/__init__.py' 2025-10-10T02:29:32,820 adding 'scine_chemoton/gears/elementary_steps/brute_force.py' 2025-10-10T02:29:32,822 adding 'scine_chemoton/gears/elementary_steps/minimal.py' 2025-10-10T02:29:32,823 adding 'scine_chemoton/gears/elementary_steps/minimum_energy_conformer.py' 2025-10-10T02:29:32,825 adding 'scine_chemoton/gears/elementary_steps/selected_structures.py' 2025-10-10T02:29:32,827 adding 'scine_chemoton/gears/elementary_steps/trial_generator/__init__.py' 2025-10-10T02:29:32,829 adding 'scine_chemoton/gears/elementary_steps/trial_generator/adsorptions.py' 2025-10-10T02:29:32,835 adding 'scine_chemoton/gears/elementary_steps/trial_generator/bond_based.py' 2025-10-10T02:29:32,837 adding 'scine_chemoton/gears/elementary_steps/trial_generator/connectivity_analyzer.py' 2025-10-10T02:29:32,840 adding 'scine_chemoton/gears/elementary_steps/trial_generator/fast_dissociations.py' 2025-10-10T02:29:32,845 adding 'scine_chemoton/gears/elementary_steps/trial_generator/fragment_based.py' 2025-10-10T02:29:32,848 adding 'scine_chemoton/gears/elementary_steps/trial_generator/template_based.py' 2025-10-10T02:29:32,852 adding 'scine_chemoton/gears/kinetic_modeling/__init__.py' 2025-10-10T02:29:32,854 adding 'scine_chemoton/gears/kinetic_modeling/atomization.py' 2025-10-10T02:29:32,855 adding 'scine_chemoton/gears/kinetic_modeling/kinetx_kinetic_modeling.py' 2025-10-10T02:29:32,858 adding 'scine_chemoton/gears/kinetic_modeling/prepare_kinetic_modeling_job.py' 2025-10-10T02:29:32,860 adding 'scine_chemoton/gears/kinetic_modeling/rms_kinetic_modeling.py' 2025-10-10T02:29:32,862 adding 'scine_chemoton/gears/kinetic_modeling/rms_microcanonical_kinetic_modeling.py' 2025-10-10T02:29:32,864 adding 'scine_chemoton/gears/kinetic_modeling/rms_network_extractor.py' 2025-10-10T02:29:32,866 adding 'scine_chemoton/gears/network_refinement/__init__.py' 2025-10-10T02:29:32,868 adding 'scine_chemoton/gears/network_refinement/aggregate_based_refinement.py' 2025-10-10T02:29:32,869 adding 'scine_chemoton/gears/network_refinement/calculation_based_refinement.py' 2025-10-10T02:29:32,871 adding 'scine_chemoton/gears/network_refinement/disabling.py' 2025-10-10T02:29:32,873 adding 'scine_chemoton/gears/network_refinement/enabling.py' 2025-10-10T02:29:32,875 adding 'scine_chemoton/gears/network_refinement/reaction_based_refinement.py' 2025-10-10T02:29:32,880 adding 'scine_chemoton/gears/network_refinement/refinement.py' 2025-10-10T02:29:32,882 adding 'scine_chemoton/gears/network_refinement/structure_refinement/__init__.py' 2025-10-10T02:29:32,884 adding 'scine_chemoton/gears/network_refinement/structure_refinement/minimum_structure_reoptimization.py' 2025-10-10T02:29:32,886 adding 'scine_chemoton/gears/network_refinement/structure_refinement/ts_refinement.py' 2025-10-10T02:29:32,888 adding 'scine_chemoton/reaction_rules/__init__.py' 2025-10-10T02:29:32,890 adding 'scine_chemoton/reaction_rules/distance_rules.py' 2025-10-10T02:29:32,892 adding 'scine_chemoton/reaction_rules/element_rules.py' 2025-10-10T02:29:32,893 adding 'scine_chemoton/reaction_rules/polarization_rules.py' 2025-10-10T02:29:32,895 adding 'scine_chemoton/reaction_rules/reaction_rule_library.py' 2025-10-10T02:29:32,897 adding 'scine_chemoton/resources/__init__.py' 2025-10-10T02:29:32,898 adding 'scine_chemoton/resources/formaldehyde.xyz' 2025-10-10T02:29:32,900 adding 'scine_chemoton/resources/methanol.xyz' 2025-10-10T02:29:32,907 adding 'scine_chemoton/steering_wheel/__init__.py' 2025-10-10T02:29:32,910 adding 'scine_chemoton/steering_wheel/datastructures.py' 2025-10-10T02:29:32,911 adding 'scine_chemoton/steering_wheel/result_transfer.py' 2025-10-10T02:29:32,917 adding 'scine_chemoton/steering_wheel/network_expansions/__init__.py' 2025-10-10T02:29:32,919 adding 'scine_chemoton/steering_wheel/network_expansions/basics.py' 2025-10-10T02:29:32,921 adding 'scine_chemoton/steering_wheel/network_expansions/conformers.py' 2025-10-10T02:29:32,923 adding 'scine_chemoton/steering_wheel/network_expansions/reactions.py' 2025-10-10T02:29:32,926 adding 'scine_chemoton/steering_wheel/selections/__init__.py' 2025-10-10T02:29:32,927 adding 'scine_chemoton/steering_wheel/selections/basics.py' 2025-10-10T02:29:32,929 adding 'scine_chemoton/steering_wheel/selections/conformers.py' 2025-10-10T02:29:32,931 adding 'scine_chemoton/steering_wheel/selections/input_selections.py' 2025-10-10T02:29:32,933 adding 'scine_chemoton/steering_wheel/selections/organometallic_complexes.py' 2025-10-10T02:29:32,935 adding 'scine_chemoton/utilities/__init__.py' 2025-10-10T02:29:32,936 adding 'scine_chemoton/utilities/calculation_creation_helpers.py' 2025-10-10T02:29:32,938 adding 'scine_chemoton/utilities/comparisons.py' 2025-10-10T02:29:32,941 adding 'scine_chemoton/utilities/datastructure_transfer.py' 2025-10-10T02:29:32,942 adding 'scine_chemoton/utilities/get_molecular_formula.py' 2025-10-10T02:29:32,944 adding 'scine_chemoton/utilities/insert_initial_structure.py' 2025-10-10T02:29:32,946 adding 'scine_chemoton/utilities/masm.py' 2025-10-10T02:29:32,947 adding 'scine_chemoton/utilities/model_combinations.py' 2025-10-10T02:29:32,949 adding 'scine_chemoton/utilities/options.py' 2025-10-10T02:29:32,950 adding 'scine_chemoton/utilities/place_holder_model.py' 2025-10-10T02:29:32,952 adding 'scine_chemoton/utilities/uncertainties.py' 2025-10-10T02:29:32,953 adding 'scine_chemoton/utilities/warnings.py' 2025-10-10T02:29:32,955 adding 'scine_chemoton/utilities/db_object_wrappers/__init__.py' 2025-10-10T02:29:32,956 adding 'scine_chemoton/utilities/db_object_wrappers/aggregate_cache.py' 2025-10-10T02:29:32,958 adding 'scine_chemoton/utilities/db_object_wrappers/aggregate_wrapper.py' 2025-10-10T02:29:32,960 adding 'scine_chemoton/utilities/db_object_wrappers/ensemble_wrapper.py' 2025-10-10T02:29:32,961 adding 'scine_chemoton/utilities/db_object_wrappers/reaction_cache.py' 2025-10-10T02:29:32,964 adding 'scine_chemoton/utilities/db_object_wrappers/reaction_wrapper.py' 2025-10-10T02:29:32,966 adding 'scine_chemoton/utilities/db_object_wrappers/thermodynamic_properties.py' 2025-10-10T02:29:32,968 adding 'scine_chemoton/utilities/db_object_wrappers/wrapper_caches.py' 2025-10-10T02:29:32,970 adding 'scine_chemoton/utilities/kinetics/__init__.py' 2025-10-10T02:29:32,971 adding 'scine_chemoton/utilities/kinetics/eckart_tunneling.py' 2025-10-10T02:29:32,973 adding 'scine_chemoton/utilities/reactive_complexes/__init__.py' 2025-10-10T02:29:32,983 adding 'scine_chemoton/utilities/reactive_complexes/adsorption.py' 2025-10-10T02:29:32,989 adding 'scine_chemoton/utilities/reactive_complexes/inter_reactive_complexes.py' 2025-10-10T02:29:33,073 adding 'scine_chemoton/utilities/reactive_complexes/lebedev_sphere.py' 2025-10-10T02:29:33,078 adding 'scine_chemoton/utilities/reactive_complexes/unit_circle.py' 2025-10-10T02:29:33,080 adding 'scine_chemoton/utilities/surfaces/__init__.py' 2025-10-10T02:29:33,081 adding 'scine_chemoton/utilities/surfaces/cohesive_energies.py' 2025-10-10T02:29:33,084 adding 'scine_chemoton/utilities/surfaces/periodic_utils.py' 2025-10-10T02:29:33,086 adding 'scine_chemoton/utilities/surfaces/property_names.py' 2025-10-10T02:29:33,089 adding 'scine_chemoton/utilities/surfaces/pymatgen_interface.py' 2025-10-10T02:29:33,092 adding 'scine_chemoton-4.1.0.dist-info/licenses/LICENSE.txt' 2025-10-10T02:29:33,094 adding 'scine_chemoton-4.1.0.dist-info/METADATA' 2025-10-10T02:29:33,095 adding 'scine_chemoton-4.1.0.dist-info/WHEEL' 2025-10-10T02:29:33,096 adding 'scine_chemoton-4.1.0.dist-info/entry_points.txt' 2025-10-10T02:29:33,097 adding 'scine_chemoton-4.1.0.dist-info/top_level.txt' 2025-10-10T02:29:33,099 adding 'scine_chemoton-4.1.0.dist-info/RECORD' 2025-10-10T02:29:33,108 removing build/bdist.linux-armv7l/wheel 2025-10-10T02:29:33,269 Building wheel for scine-chemoton (setup.py): finished with status 'done' 2025-10-10T02:29:33,277 Created wheel for scine-chemoton: filename=scine_chemoton-4.1.0-py3-none-any.whl size=453984 sha256=fba8713b19f62efd00725ba62d62057786d5b2afa0afee9b8b201aaf5e89e67c 2025-10-10T02:29:33,278 Stored in directory: /tmp/pip-ephem-wheel-cache-v1vhp6no/wheels/7e/0e/39/643923af3ceb459f49d80470bf9312d14239496e0b0d4d2346 2025-10-10T02:29:33,295 Successfully built scine-chemoton 2025-10-10T02:29:33,321 Removed build tracker: '/tmp/pip-build-tracker-5skd4in2'