2026-06-27T19:51:40,865 Created temporary directory: /tmp/pip-ephem-wheel-cache-cig_rdng 2026-06-27T19:51:40,867 Created temporary directory: /tmp/pip-build-tracker-xqf_wja3 2026-06-27T19:51:40,868 Initialized build tracking at /tmp/pip-build-tracker-xqf_wja3 2026-06-27T19:51:40,868 Created build tracker: /tmp/pip-build-tracker-xqf_wja3 2026-06-27T19:51:40,868 Entered build tracker: /tmp/pip-build-tracker-xqf_wja3 2026-06-27T19:51:40,869 Created temporary directory: /tmp/pip-wheel-tbbls3re 2026-06-27T19:51:40,872 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 2026-06-27T19:51:40,875 Created temporary directory: /tmp/pip-ephem-wheel-cache-gghs3hou 2026-06-27T19:51:40,897 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2026-06-27T19:51:40,900 2 location(s) to search for versions of gaussian-step: 2026-06-27T19:51:40,900 * https://pypi.org/simple/gaussian-step/ 2026-06-27T19:51:40,900 * https://www.piwheels.org/simple/gaussian-step/ 2026-06-27T19:51:40,901 Fetching project page and analyzing links: https://pypi.org/simple/gaussian-step/ 2026-06-27T19:51:40,902 Getting page https://pypi.org/simple/gaussian-step/ 2026-06-27T19:51:40,904 Found index url https://pypi.org/simple 2026-06-27T19:51:41,234 Fetched page https://pypi.org/simple/gaussian-step/ as application/vnd.pypi.simple.v1+json 2026-06-27T19:51:41,246 Skipping link: No binaries permitted for gaussian-step: 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2026-06-27T19:51:41,282 Skipping link: No binaries permitted for gaussian-step: https://files.pythonhosted.org/packages/dd/f2/14b32d2462bae3ad172c0845f6d872b383e0bda92ed28405ec8dd2262d3d/gaussian_step-2026.3.1-py2.py3-none-any.whl (from https://pypi.org/simple/gaussian-step/) 2026-06-27T19:51:41,283 Found link https://files.pythonhosted.org/packages/18/c1/60932498a90f49e8d23a6ad2b5c92f0aeb70c26ae4e78e5c05d7c2ddd7dc/gaussian_step-2026.3.1.tar.gz (from https://pypi.org/simple/gaussian-step/), version: 2026.3.1 2026-06-27T19:51:41,284 Skipping link: No binaries permitted for gaussian-step: https://files.pythonhosted.org/packages/9e/5f/ebc39234d94d785eb2f1017f3521838a73b7fb82e66864df4e72de9d2cf2/gaussian_step-2026.6.27-py2.py3-none-any.whl (from https://pypi.org/simple/gaussian-step/) 2026-06-27T19:51:41,284 Found link https://files.pythonhosted.org/packages/89/7a/b2ce55ad5e19adf67534f164cdb83db5c1570d0dcab34b0e133a3aa9ff3f/gaussian_step-2026.6.27.tar.gz (from https://pypi.org/simple/gaussian-step/), version: 2026.6.27 2026-06-27T19:51:41,285 Fetching project page and analyzing links: https://www.piwheels.org/simple/gaussian-step/ 2026-06-27T19:51:41,285 Getting page https://www.piwheels.org/simple/gaussian-step/ 2026-06-27T19:51:41,287 Found index url https://www.piwheels.org/simple 2026-06-27T19:51:41,581 Fetched page https://www.piwheels.org/simple/gaussian-step/ as text/html 2026-06-27T19:51:41,590 Skipping link: No binaries permitted for gaussian-step: https://archive1.piwheels.org/simple/gaussian-step/gaussian_step-2026.3.1-py2.py3-none-any.whl#sha256=9a9cb395918abf0a8da1662ea22c293a0247e203caaed5606db800bf87249b76 (from https://www.piwheels.org/simple/gaussian-step/) 2026-06-27T19:51:41,591 Skipping link: No binaries permitted for gaussian-step: https://archive1.piwheels.org/simple/gaussian-step/gaussian_step-2025.8.20-py2.py3-none-any.whl#sha256=6540cb5ca0c82bcddc879c01e310f17b92d63cb7b05c0834802290b3dd6942b3 (from https://www.piwheels.org/simple/gaussian-step/) 2026-06-27T19:51:41,591 Skipping link: No binaries permitted for gaussian-step: https://archive1.piwheels.org/simple/gaussian-step/gaussian_step-2025.8.12-py2.py3-none-any.whl#sha256=f9535c5f4b6e196227895d262491e261123d61338d15c351d3dfcb53c860edc0 (from https://www.piwheels.org/simple/gaussian-step/) 2026-06-27T19:51:41,592 Skipping link: No binaries permitted for gaussian-step: https://archive1.piwheels.org/simple/gaussian-step/gaussian_step-2025.1.31-py2.py3-none-any.whl#sha256=f2c7136b46f37b1830bf2db6d883e929eaf6167bc8a26d741f7b66821deeef08 (from https://www.piwheels.org/simple/gaussian-step/) 2026-06-27T19:51:41,593 Skipping link: No binaries permitted for gaussian-step: https://archive1.piwheels.org/simple/gaussian-step/gaussian_step-2025.1.29-py2.py3-none-any.whl#sha256=dca5c61a6ea1afe8ac2552bc6d1aa9d1d93c59990dd2407900887c94d58076a0 (from https://www.piwheels.org/simple/gaussian-step/) 2026-06-27T19:51:41,593 Skipping link: No binaries permitted for gaussian-step: https://archive1.piwheels.org/simple/gaussian-step/gaussian_step-2025.1.5-py2.py3-none-any.whl#sha256=92f8440458befa680323094c620540872204f01283e10d61ddeef79bd1c9835c (from https://www.piwheels.org/simple/gaussian-step/) 2026-06-27T19:51:41,594 Skipping link: No binaries permitted for gaussian-step: https://archive1.piwheels.org/simple/gaussian-step/gaussian_step-2024.12.24.1-py2.py3-none-any.whl#sha256=0a1757301fe1eb2e83ddff7ecd1ea7d43806686b742d0880f8779871b65e0d55 (from https://www.piwheels.org/simple/gaussian-step/) 2026-06-27T19:51:41,595 Skipping link: No binaries permitted for gaussian-step: https://archive1.piwheels.org/simple/gaussian-step/gaussian_step-2024.12.24-py2.py3-none-any.whl#sha256=e845de1a0960c74495bb6a3d04a6ab45a4dba223cbefd806d056efeecbe67209 (from https://www.piwheels.org/simple/gaussian-step/) 2026-06-27T19:51:41,595 Skipping link: No binaries permitted for gaussian-step: 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https://archive1.piwheels.org/simple/gaussian-step/gaussian_step-2024.10.15-py2.py3-none-any.whl#sha256=cbc83d953af78d716145ca55f182124a9e5cb2253ef15058e8c90bc389cebb9a (from https://www.piwheels.org/simple/gaussian-step/) 2026-06-27T19:51:41,599 Skipping link: No binaries permitted for gaussian-step: https://archive1.piwheels.org/simple/gaussian-step/gaussian_step-2024.10.10-py2.py3-none-any.whl#sha256=98325e334a6ed8c3863e19de9b3de76038daaba678b803ff8cd2042847789149 (from https://www.piwheels.org/simple/gaussian-step/) 2026-06-27T19:51:41,600 Skipping link: No binaries permitted for gaussian-step: https://archive1.piwheels.org/simple/gaussian-step/gaussian_step-2024.8.23-py2.py3-none-any.whl#sha256=d66f35617d53e2ffca2d90b15dd66ee8ccc5c95057f2469e20b8fc55e84cac61 (from https://www.piwheels.org/simple/gaussian-step/) 2026-06-27T19:51:41,600 Skipping link: No binaries permitted for gaussian-step: https://archive1.piwheels.org/simple/gaussian-step/gaussian_step-2024.7.27-py2.py3-none-any.whl#sha256=4e8641c7f1f25cec14ed55e96fc7db904db6f30dd8a0fd3f3c65911d72967cce (from https://www.piwheels.org/simple/gaussian-step/) 2026-06-27T19:51:41,601 Skipping link: No binaries permitted for gaussian-step: https://archive1.piwheels.org/simple/gaussian-step/gaussian_step-2024.6.5-py2.py3-none-any.whl#sha256=4adb6812dbeaabece3144fcbb595f0594790b83763968b4e956c90f24734f6bc (from https://www.piwheels.org/simple/gaussian-step/) 2026-06-27T19:51:41,602 Skipping link: No binaries permitted for gaussian-step: https://archive1.piwheels.org/simple/gaussian-step/gaussian_step-2024.5.31-py2.py3-none-any.whl#sha256=cd82c6940b529d526ffd8e2a3e091f36956b59d82155827c9e4941a95a3c29b3 (from https://www.piwheels.org/simple/gaussian-step/) 2026-06-27T19:51:41,602 Skipping link: No binaries permitted for gaussian-step: https://archive1.piwheels.org/simple/gaussian-step/gaussian_step-2024.5.27-py2.py3-none-any.whl#sha256=a8b5a8f4b064492453a38b9d2180b3fc67843938cb7618f78afd2b94d0b2337c (from https://www.piwheels.org/simple/gaussian-step/) 2026-06-27T19:51:41,603 Skipping link: No binaries permitted for gaussian-step: https://archive1.piwheels.org/simple/gaussian-step/gaussian_step-2024.5.8-py2.py3-none-any.whl#sha256=7cc0cf2ccd448dfda09780dd04690084737f5a3b6a861148d7c592304aa7fe64 (from https://www.piwheels.org/simple/gaussian-step/) 2026-06-27T19:51:41,603 Skipping link: No binaries permitted for gaussian-step: https://archive1.piwheels.org/simple/gaussian-step/gaussian_step-2024.1.19-py2.py3-none-any.whl#sha256=d05fde6a06af6e51fc20220f8bc66a864f59c2a4bf3d7009dd3ebeb78c6ea68c (from https://www.piwheels.org/simple/gaussian-step/) 2026-06-27T19:51:41,604 Skipping link: No binaries permitted for gaussian-step: https://archive1.piwheels.org/simple/gaussian-step/gaussian_step-2023.10.25-py2.py3-none-any.whl#sha256=96bb7e0e14ae0eb803ec65fd4b7c47698bd31724a663063fbfde672bb395cd50 (from https://www.piwheels.org/simple/gaussian-step/) 2026-06-27T19:51:41,605 Skipping link: No binaries permitted for gaussian-step: https://archive1.piwheels.org/simple/gaussian-step/gaussian_step-2023.10.22-py2.py3-none-any.whl#sha256=6dc92334dd7a9c5aa0619bfbdb754a809271eebabed2efb3305c2cfdbb4976ee (from https://www.piwheels.org/simple/gaussian-step/) 2026-06-27T19:51:41,605 Skipping link: No binaries permitted for gaussian-step: https://archive1.piwheels.org/simple/gaussian-step/gaussian_step-2023.10.7-py2.py3-none-any.whl#sha256=2fd50c468dd85507e4eb286517f5cf6f8d4ab5fca6930ba7aa5fa420e7cab1e7 (from https://www.piwheels.org/simple/gaussian-step/) 2026-06-27T19:51:41,606 Skipping link: No binaries permitted for gaussian-step: https://archive1.piwheels.org/simple/gaussian-step/gaussian_step-2023.9.27-py2.py3-none-any.whl#sha256=8ff5a0552d1863360a092b30430521f4148d77846653b3784107f51165954a77 (from https://www.piwheels.org/simple/gaussian-step/) 2026-06-27T19:51:41,606 Skipping link: No binaries permitted for gaussian-step: https://archive1.piwheels.org/simple/gaussian-step/gaussian_step-2023.2.26.1-py2.py3-none-any.whl#sha256=e1c64c462b24020b3d114b6f3008c6c22c7c9c6343cff2dbb27213b4f0ed329c (from https://www.piwheels.org/simple/gaussian-step/) 2026-06-27T19:51:41,607 Skipping link: No binaries permitted for gaussian-step: https://archive1.piwheels.org/simple/gaussian-step/gaussian_step-2023.2.26-py2.py3-none-any.whl#sha256=0365f2a625c4a19f3501a2c2527d6b455f46702026f03442cde19509ea922a2b (from https://www.piwheels.org/simple/gaussian-step/) 2026-06-27T19:51:41,607 Skipping link: not a file: https://www.piwheels.org/simple/gaussian-step/ 2026-06-27T19:51:41,608 Skipping link: not a file: https://pypi.org/simple/gaussian-step/ 2026-06-27T19:51:41,631 Given no hashes to check 1 links for project 'gaussian-step': discarding no candidates 2026-06-27T19:51:41,650 Collecting gaussian-step==2026.6.27 2026-06-27T19:51:41,653 Created temporary directory: /tmp/pip-unpack-kk3_qj9u 2026-06-27T19:51:41,901 Downloading gaussian_step-2026.6.27.tar.gz (495 kB) 2026-06-27T19:51:42,308 Added gaussian-step==2026.6.27 from https://files.pythonhosted.org/packages/89/7a/b2ce55ad5e19adf67534f164cdb83db5c1570d0dcab34b0e133a3aa9ff3f/gaussian_step-2026.6.27.tar.gz to build tracker '/tmp/pip-build-tracker-xqf_wja3' 2026-06-27T19:51:42,310 Running setup.py (path:/tmp/pip-wheel-tbbls3re/gaussian-step_b2d11d527eb84fd39440847863e65a2c/setup.py) egg_info for package gaussian-step 2026-06-27T19:51:42,311 Created temporary directory: /tmp/pip-pip-egg-info-v3on_z6t 2026-06-27T19:51:42,311 Preparing metadata (setup.py): started 2026-06-27T19:51:42,313 Running command python setup.py egg_info 2026-06-27T19:51:42,934 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/dist.py:287: UserWarning: Unknown distribution option: 'test_suite' 2026-06-27T19:51:42,934 warnings.warn(msg) 2026-06-27T19:51:43,241 /usr/local/lib/python3.11/dist-packages/setuptools/dist.py:765: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2026-06-27T19:51:43,241 !! 2026-06-27T19:51:43,242 ******************************************************************************** 2026-06-27T19:51:43,243 Please consider removing the following classifiers in favor of a SPDX license expression: 2026-06-27T19:51:43,244 License :: OSI Approved :: BSD License 2026-06-27T19:51:43,246 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-06-27T19:51:43,246 ******************************************************************************** 2026-06-27T19:51:43,247 !! 2026-06-27T19:51:43,248 self._finalize_license_expression() 2026-06-27T19:51:43,273 running egg_info 2026-06-27T19:51:43,302 creating /tmp/pip-pip-egg-info-v3on_z6t/gaussian_step.egg-info 2026-06-27T19:51:43,303 writing /tmp/pip-pip-egg-info-v3on_z6t/gaussian_step.egg-info/PKG-INFO 2026-06-27T19:51:43,307 writing dependency_links to /tmp/pip-pip-egg-info-v3on_z6t/gaussian_step.egg-info/dependency_links.txt 2026-06-27T19:51:43,309 writing entry points to /tmp/pip-pip-egg-info-v3on_z6t/gaussian_step.egg-info/entry_points.txt 2026-06-27T19:51:43,311 writing requirements to /tmp/pip-pip-egg-info-v3on_z6t/gaussian_step.egg-info/requires.txt 2026-06-27T19:51:43,312 writing top-level names to /tmp/pip-pip-egg-info-v3on_z6t/gaussian_step.egg-info/top_level.txt 2026-06-27T19:51:43,313 writing manifest file '/tmp/pip-pip-egg-info-v3on_z6t/gaussian_step.egg-info/SOURCES.txt' 2026-06-27T19:51:43,374 reading manifest file '/tmp/pip-pip-egg-info-v3on_z6t/gaussian_step.egg-info/SOURCES.txt' 2026-06-27T19:51:43,376 reading manifest template 'MANIFEST.in' 2026-06-27T19:51:43,419 warning: no files found matching '*.jpg' under directory 'docs' 2026-06-27T19:51:43,437 warning: no files found matching '*.gif' under directory 'docs' 2026-06-27T19:51:43,438 warning: no previously-included files matching '__pycache__' found under directory '*' 2026-06-27T19:51:43,439 warning: no previously-included files matching '*.py[co]' found under directory '*' 2026-06-27T19:51:43,439 adding license file 'LICENSE' 2026-06-27T19:51:43,440 adding license file 'AUTHORS.rst' 2026-06-27T19:51:43,444 writing manifest file '/tmp/pip-pip-egg-info-v3on_z6t/gaussian_step.egg-info/SOURCES.txt' 2026-06-27T19:51:43,554 Preparing metadata (setup.py): finished with status 'done' 2026-06-27T19:51:43,559 Source in /tmp/pip-wheel-tbbls3re/gaussian-step_b2d11d527eb84fd39440847863e65a2c has version 2026.6.27, which satisfies requirement gaussian-step==2026.6.27 from https://files.pythonhosted.org/packages/89/7a/b2ce55ad5e19adf67534f164cdb83db5c1570d0dcab34b0e133a3aa9ff3f/gaussian_step-2026.6.27.tar.gz 2026-06-27T19:51:43,560 Removed gaussian-step==2026.6.27 from https://files.pythonhosted.org/packages/89/7a/b2ce55ad5e19adf67534f164cdb83db5c1570d0dcab34b0e133a3aa9ff3f/gaussian_step-2026.6.27.tar.gz from build tracker '/tmp/pip-build-tracker-xqf_wja3' 2026-06-27T19:51:43,566 Created temporary directory: /tmp/pip-unpack-x60dnr1v 2026-06-27T19:51:43,567 Building wheels for collected packages: gaussian-step 2026-06-27T19:51:43,571 Created temporary directory: /tmp/pip-wheel-74cp_hup 2026-06-27T19:51:43,572 Building wheel for gaussian-step (setup.py): started 2026-06-27T19:51:43,573 Destination directory: /tmp/pip-wheel-74cp_hup 2026-06-27T19:51:43,574 Running command python setup.py bdist_wheel 2026-06-27T19:51:44,138 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/dist.py:287: UserWarning: Unknown distribution option: 'test_suite' 2026-06-27T19:51:44,138 warnings.warn(msg) 2026-06-27T19:51:44,433 /usr/local/lib/python3.11/dist-packages/setuptools/dist.py:765: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2026-06-27T19:51:44,434 !! 2026-06-27T19:51:44,435 ******************************************************************************** 2026-06-27T19:51:44,435 Please consider removing the following classifiers in favor of a SPDX license expression: 2026-06-27T19:51:44,437 License :: OSI Approved :: BSD License 2026-06-27T19:51:44,438 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2026-06-27T19:51:44,439 ******************************************************************************** 2026-06-27T19:51:44,440 !! 2026-06-27T19:51:44,441 self._finalize_license_expression() 2026-06-27T19:51:44,441 running bdist_wheel 2026-06-27T19:51:44,519 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/cmd.py:119: SetuptoolsDeprecationWarning: bdist_wheel.universal is deprecated 2026-06-27T19:51:44,519 !! 2026-06-27T19:51:44,521 ******************************************************************************** 2026-06-27T19:51:44,521 With Python 2.7 end-of-life, support for building universal wheels 2026-06-27T19:51:44,522 (i.e., wheels that support both Python 2 and Python 3) 2026-06-27T19:51:44,522 is being obviated. 2026-06-27T19:51:44,522 Please discontinue using this option, or if you still need it, 2026-06-27T19:51:44,523 file an issue with pypa/setuptools describing your use case. 2026-06-27T19:51:44,524 This deprecation is overdue, please update your project and remove deprecated 2026-06-27T19:51:44,524 calls to avoid build errors in the future. 2026-06-27T19:51:44,525 ******************************************************************************** 2026-06-27T19:51:44,526 !! 2026-06-27T19:51:44,526 self.finalize_options() 2026-06-27T19:51:44,575 running build 2026-06-27T19:51:44,576 running build_py 2026-06-27T19:51:44,582 creating build/lib/gaussian_step 2026-06-27T19:51:44,583 copying gaussian_step/wavefunction_stability_step.py -> build/lib/gaussian_step 2026-06-27T19:51:44,586 copying gaussian_step/optimization.py -> build/lib/gaussian_step 2026-06-27T19:51:44,588 copying gaussian_step/tk_thermodynamics.py -> build/lib/gaussian_step 2026-06-27T19:51:44,590 copying gaussian_step/gaussian_step.py -> build/lib/gaussian_step 2026-06-27T19:51:44,592 copying gaussian_step/tk_wavefunction_stability.py -> build/lib/gaussian_step 2026-06-27T19:51:44,594 copying gaussian_step/gaussian_parameters.py -> build/lib/gaussian_step 2026-06-27T19:51:44,597 copying gaussian_step/_version.py -> build/lib/gaussian_step 2026-06-27T19:51:44,598 copying gaussian_step/wavefunction_stability.py -> build/lib/gaussian_step 2026-06-27T19:51:44,601 copying gaussian_step/tk_gaussian.py -> build/lib/gaussian_step 2026-06-27T19:51:44,603 copying gaussian_step/tk_energy.py -> build/lib/gaussian_step 2026-06-27T19:51:44,605 copying gaussian_step/metadata.py -> build/lib/gaussian_step 2026-06-27T19:51:44,608 copying gaussian_step/energy_step.py -> build/lib/gaussian_step 2026-06-27T19:51:44,610 copying gaussian_step/gaussian.py -> build/lib/gaussian_step 2026-06-27T19:51:44,612 copying gaussian_step/energy.py -> build/lib/gaussian_step 2026-06-27T19:51:44,615 copying gaussian_step/__init__.py -> build/lib/gaussian_step 2026-06-27T19:51:44,617 copying gaussian_step/optimization_step.py -> build/lib/gaussian_step 2026-06-27T19:51:44,619 copying gaussian_step/thermodynamics_step.py -> build/lib/gaussian_step 2026-06-27T19:51:44,621 copying gaussian_step/substep.py -> build/lib/gaussian_step 2026-06-27T19:51:44,625 copying gaussian_step/thermodynamics_parameters.py -> build/lib/gaussian_step 2026-06-27T19:51:44,627 copying gaussian_step/thermodynamics.py -> build/lib/gaussian_step 2026-06-27T19:51:44,629 copying gaussian_step/energy_parameters.py -> build/lib/gaussian_step 2026-06-27T19:51:44,632 copying gaussian_step/optimization_parameters.py -> build/lib/gaussian_step 2026-06-27T19:51:44,634 copying gaussian_step/wavefunction_stability_parameters.py -> build/lib/gaussian_step 2026-06-27T19:51:44,636 copying gaussian_step/tk_optimization.py -> build/lib/gaussian_step 2026-06-27T19:51:44,638 running egg_info 2026-06-27T19:51:44,666 writing gaussian_step.egg-info/PKG-INFO 2026-06-27T19:51:44,669 writing dependency_links to gaussian_step.egg-info/dependency_links.txt 2026-06-27T19:51:44,671 writing entry points to gaussian_step.egg-info/entry_points.txt 2026-06-27T19:51:44,673 writing requirements to gaussian_step.egg-info/requires.txt 2026-06-27T19:51:44,674 writing top-level names to gaussian_step.egg-info/top_level.txt 2026-06-27T19:51:44,706 reading manifest file 'gaussian_step.egg-info/SOURCES.txt' 2026-06-27T19:51:44,711 reading manifest template 'MANIFEST.in' 2026-06-27T19:51:44,748 warning: no files found matching '*.jpg' under directory 'docs' 2026-06-27T19:51:44,766 warning: no files found matching '*.gif' under directory 'docs' 2026-06-27T19:51:44,767 warning: no previously-included files matching '__pycache__' found under directory '*' 2026-06-27T19:51:44,768 warning: no previously-included files matching '*.py[co]' found under directory '*' 2026-06-27T19:51:44,768 adding license file 'LICENSE' 2026-06-27T19:51:44,769 adding license file 'AUTHORS.rst' 2026-06-27T19:51:44,773 writing manifest file 'gaussian_step.egg-info/SOURCES.txt' 2026-06-27T19:51:44,777 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'gaussian_step.data' is absent from the `packages` configuration. 2026-06-27T19:51:44,778 !! 2026-06-27T19:51:44,779 ******************************************************************************** 2026-06-27T19:51:44,779 ############################ 2026-06-27T19:51:44,779 # Package would be ignored # 2026-06-27T19:51:44,780 ############################ 2026-06-27T19:51:44,780 Python recognizes 'gaussian_step.data' as an importable package[^1], 2026-06-27T19:51:44,781 but it is absent from setuptools' `packages` configuration. 2026-06-27T19:51:44,781 This leads to an ambiguous overall configuration. If you want to distribute this 2026-06-27T19:51:44,782 package, please make sure that 'gaussian_step.data' is explicitly added 2026-06-27T19:51:44,785 to the `packages` configuration field. 2026-06-27T19:51:44,793 Alternatively, you can also rely on setuptools' discovery methods 2026-06-27T19:51:44,795 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-06-27T19:51:44,796 instead of `find_packages(...)`/`find:`). 2026-06-27T19:51:44,798 You can read more about "package discovery" on setuptools documentation page: 2026-06-27T19:51:44,799 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-06-27T19:51:44,801 If you don't want 'gaussian_step.data' to be distributed and are 2026-06-27T19:51:44,801 already explicitly excluding 'gaussian_step.data' via 2026-06-27T19:51:44,802 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-06-27T19:51:44,803 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-06-27T19:51:44,804 combination with a more fine grained `package-data` configuration. 2026-06-27T19:51:44,806 You can read more about "package data files" on setuptools documentation page: 2026-06-27T19:51:44,808 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-06-27T19:51:44,815 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-06-27T19:51:44,817 even if it does not contain any `.py` files. 2026-06-27T19:51:44,820 On the other hand, currently there is no concept of package data 2026-06-27T19:51:44,821 directory, all directories are treated like packages. 2026-06-27T19:51:44,823 ******************************************************************************** 2026-06-27T19:51:44,825 !! 2026-06-27T19:51:44,827 check.warn(importable) 2026-06-27T19:51:44,829 creating build/lib/gaussian_step/data 2026-06-27T19:51:44,829 copying gaussian_step/data/atom_energies.csv -> build/lib/gaussian_step/data 2026-06-27T19:51:44,860 copying gaussian_step/data/gaussian.ini -> build/lib/gaussian_step/data 2026-06-27T19:51:44,862 copying gaussian_step/data/properties.csv -> build/lib/gaussian_step/data 2026-06-27T19:51:44,865 copying gaussian_step/data/references.bib -> build/lib/gaussian_step/data 2026-06-27T19:51:44,870 UPDATING build/lib/gaussian_step/_version.py 2026-06-27T19:51:44,872 set build/lib/gaussian_step/_version.py to '2026.6.27' 2026-06-27T19:51:44,901 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/cmd.py:90: SetuptoolsDeprecationWarning: setup.py install is deprecated. 2026-06-27T19:51:44,901 !! 2026-06-27T19:51:44,903 ******************************************************************************** 2026-06-27T19:51:44,903 Please avoid running ``setup.py`` directly. 2026-06-27T19:51:44,904 Instead, use pypa/build, pypa/installer or other 2026-06-27T19:51:44,904 standards-based tools. 2026-06-27T19:51:44,905 This deprecation is overdue, please update your project and remove deprecated 2026-06-27T19:51:44,905 calls to avoid build errors in the future. 2026-06-27T19:51:44,906 See https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.html for details. 2026-06-27T19:51:44,907 ******************************************************************************** 2026-06-27T19:51:44,908 !! 2026-06-27T19:51:44,908 self.initialize_options() 2026-06-27T19:51:44,934 installing to build/bdist.linux-armv7l/wheel 2026-06-27T19:51:44,935 running install 2026-06-27T19:51:44,958 running install_lib 2026-06-27T19:51:44,987 creating build/bdist.linux-armv7l/wheel 2026-06-27T19:51:44,990 creating build/bdist.linux-armv7l/wheel/gaussian_step 2026-06-27T19:51:44,992 copying build/lib/gaussian_step/wavefunction_stability_step.py -> build/bdist.linux-armv7l/wheel/./gaussian_step 2026-06-27T19:51:44,994 copying build/lib/gaussian_step/optimization.py -> build/bdist.linux-armv7l/wheel/./gaussian_step 2026-06-27T19:51:44,997 copying build/lib/gaussian_step/tk_thermodynamics.py -> build/bdist.linux-armv7l/wheel/./gaussian_step 2026-06-27T19:51:45,000 copying build/lib/gaussian_step/gaussian_step.py -> build/bdist.linux-armv7l/wheel/./gaussian_step 2026-06-27T19:51:45,002 copying build/lib/gaussian_step/tk_wavefunction_stability.py -> build/bdist.linux-armv7l/wheel/./gaussian_step 2026-06-27T19:51:45,005 copying build/lib/gaussian_step/gaussian_parameters.py -> build/bdist.linux-armv7l/wheel/./gaussian_step 2026-06-27T19:51:45,007 copying build/lib/gaussian_step/_version.py -> build/bdist.linux-armv7l/wheel/./gaussian_step 2026-06-27T19:51:45,009 copying build/lib/gaussian_step/wavefunction_stability.py -> build/bdist.linux-armv7l/wheel/./gaussian_step 2026-06-27T19:51:45,012 copying build/lib/gaussian_step/tk_gaussian.py -> build/bdist.linux-armv7l/wheel/./gaussian_step 2026-06-27T19:51:45,014 copying build/lib/gaussian_step/tk_energy.py -> build/bdist.linux-armv7l/wheel/./gaussian_step 2026-06-27T19:51:45,017 copying build/lib/gaussian_step/metadata.py -> build/bdist.linux-armv7l/wheel/./gaussian_step 2026-06-27T19:51:45,021 copying build/lib/gaussian_step/energy_step.py -> build/bdist.linux-armv7l/wheel/./gaussian_step 2026-06-27T19:51:45,024 creating build/bdist.linux-armv7l/wheel/gaussian_step/data 2026-06-27T19:51:45,025 copying build/lib/gaussian_step/data/properties.csv -> build/bdist.linux-armv7l/wheel/./gaussian_step/data 2026-06-27T19:51:45,028 copying build/lib/gaussian_step/data/references.bib -> build/bdist.linux-armv7l/wheel/./gaussian_step/data 2026-06-27T19:51:45,031 copying build/lib/gaussian_step/data/atom_energies.csv -> build/bdist.linux-armv7l/wheel/./gaussian_step/data 2026-06-27T19:51:45,072 copying build/lib/gaussian_step/data/gaussian.ini -> build/bdist.linux-armv7l/wheel/./gaussian_step/data 2026-06-27T19:51:45,074 copying build/lib/gaussian_step/gaussian.py -> build/bdist.linux-armv7l/wheel/./gaussian_step 2026-06-27T19:51:45,077 copying build/lib/gaussian_step/energy.py -> build/bdist.linux-armv7l/wheel/./gaussian_step 2026-06-27T19:51:45,081 copying build/lib/gaussian_step/__init__.py -> build/bdist.linux-armv7l/wheel/./gaussian_step 2026-06-27T19:51:45,083 copying build/lib/gaussian_step/optimization_step.py -> build/bdist.linux-armv7l/wheel/./gaussian_step 2026-06-27T19:51:45,085 copying build/lib/gaussian_step/thermodynamics_step.py -> build/bdist.linux-armv7l/wheel/./gaussian_step 2026-06-27T19:51:45,087 copying build/lib/gaussian_step/substep.py -> build/bdist.linux-armv7l/wheel/./gaussian_step 2026-06-27T19:51:45,090 copying build/lib/gaussian_step/thermodynamics_parameters.py -> build/bdist.linux-armv7l/wheel/./gaussian_step 2026-06-27T19:51:45,093 copying build/lib/gaussian_step/thermodynamics.py -> build/bdist.linux-armv7l/wheel/./gaussian_step 2026-06-27T19:51:45,095 copying build/lib/gaussian_step/energy_parameters.py -> build/bdist.linux-armv7l/wheel/./gaussian_step 2026-06-27T19:51:45,098 copying build/lib/gaussian_step/optimization_parameters.py -> build/bdist.linux-armv7l/wheel/./gaussian_step 2026-06-27T19:51:45,100 copying build/lib/gaussian_step/wavefunction_stability_parameters.py -> build/bdist.linux-armv7l/wheel/./gaussian_step 2026-06-27T19:51:45,102 copying build/lib/gaussian_step/tk_optimization.py -> build/bdist.linux-armv7l/wheel/./gaussian_step 2026-06-27T19:51:45,104 running install_egg_info 2026-06-27T19:51:45,139 Copying gaussian_step.egg-info to build/bdist.linux-armv7l/wheel/./gaussian_step-2026.6.27-py3.11.egg-info 2026-06-27T19:51:45,153 running install_scripts 2026-06-27T19:51:45,170 creating build/bdist.linux-armv7l/wheel/gaussian_step-2026.6.27.dist-info/WHEEL 2026-06-27T19:51:45,173 creating '/tmp/pip-wheel-74cp_hup/gaussian_step-2026.6.27-py2.py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2026-06-27T19:51:45,175 adding 'gaussian_step/__init__.py' 2026-06-27T19:51:45,177 adding 'gaussian_step/_version.py' 2026-06-27T19:51:45,181 adding 'gaussian_step/energy.py' 2026-06-27T19:51:45,183 adding 'gaussian_step/energy_parameters.py' 2026-06-27T19:51:45,185 adding 'gaussian_step/energy_step.py' 2026-06-27T19:51:45,187 adding 'gaussian_step/gaussian.py' 2026-06-27T19:51:45,189 adding 'gaussian_step/gaussian_parameters.py' 2026-06-27T19:51:45,190 adding 'gaussian_step/gaussian_step.py' 2026-06-27T19:51:45,194 adding 'gaussian_step/metadata.py' 2026-06-27T19:51:45,197 adding 'gaussian_step/optimization.py' 2026-06-27T19:51:45,198 adding 'gaussian_step/optimization_parameters.py' 2026-06-27T19:51:45,200 adding 'gaussian_step/optimization_step.py' 2026-06-27T19:51:45,209 adding 'gaussian_step/substep.py' 2026-06-27T19:51:45,211 adding 'gaussian_step/thermodynamics.py' 2026-06-27T19:51:45,212 adding 'gaussian_step/thermodynamics_parameters.py' 2026-06-27T19:51:45,214 adding 'gaussian_step/thermodynamics_step.py' 2026-06-27T19:51:45,216 adding 'gaussian_step/tk_energy.py' 2026-06-27T19:51:45,218 adding 'gaussian_step/tk_gaussian.py' 2026-06-27T19:51:45,219 adding 'gaussian_step/tk_optimization.py' 2026-06-27T19:51:45,221 adding 'gaussian_step/tk_thermodynamics.py' 2026-06-27T19:51:45,222 adding 'gaussian_step/tk_wavefunction_stability.py' 2026-06-27T19:51:45,225 adding 'gaussian_step/wavefunction_stability.py' 2026-06-27T19:51:45,227 adding 'gaussian_step/wavefunction_stability_parameters.py' 2026-06-27T19:51:45,228 adding 'gaussian_step/wavefunction_stability_step.py' 2026-06-27T19:51:45,331 adding 'gaussian_step/data/atom_energies.csv' 2026-06-27T19:51:45,354 adding 'gaussian_step/data/gaussian.ini' 2026-06-27T19:51:45,355 adding 'gaussian_step/data/properties.csv' 2026-06-27T19:51:45,364 adding 'gaussian_step/data/references.bib' 2026-06-27T19:51:45,367 adding 'gaussian_step-2026.6.27.dist-info/licenses/AUTHORS.rst' 2026-06-27T19:51:45,368 adding 'gaussian_step-2026.6.27.dist-info/licenses/LICENSE' 2026-06-27T19:51:45,370 adding 'gaussian_step-2026.6.27.dist-info/METADATA' 2026-06-27T19:51:45,371 adding 'gaussian_step-2026.6.27.dist-info/WHEEL' 2026-06-27T19:51:45,372 adding 'gaussian_step-2026.6.27.dist-info/entry_points.txt' 2026-06-27T19:51:45,373 adding 'gaussian_step-2026.6.27.dist-info/top_level.txt' 2026-06-27T19:51:45,374 adding 'gaussian_step-2026.6.27.dist-info/zip-safe' 2026-06-27T19:51:45,375 adding 'gaussian_step-2026.6.27.dist-info/RECORD' 2026-06-27T19:51:45,379 removing build/bdist.linux-armv7l/wheel 2026-06-27T19:51:45,501 Building wheel for gaussian-step (setup.py): finished with status 'done' 2026-06-27T19:51:45,514 Created wheel for gaussian-step: filename=gaussian_step-2026.6.27-py2.py3-none-any.whl size=217961 sha256=72f034eba189824fb0b5e97934b6b9a39468979c429cfcd04b83515c026c4381 2026-06-27T19:51:45,515 Stored in directory: /tmp/pip-ephem-wheel-cache-gghs3hou/wheels/a6/35/a4/0a43259f07a0c5eeac9938642cbc32053c87b6e2a5bc55a938 2026-06-27T19:51:45,529 Successfully built gaussian-step 2026-06-27T19:51:45,540 Removed build tracker: '/tmp/pip-build-tracker-xqf_wja3'