2025-09-08T04:10:14,851 Created temporary directory: /tmp/pip-build-tracker-ogsm5yb3 2025-09-08T04:10:14,852 Initialized build tracking at /tmp/pip-build-tracker-ogsm5yb3 2025-09-08T04:10:14,852 Created build tracker: /tmp/pip-build-tracker-ogsm5yb3 2025-09-08T04:10:14,852 Entered build tracker: /tmp/pip-build-tracker-ogsm5yb3 2025-09-08T04:10:14,852 Created temporary directory: /tmp/pip-wheel-6zz4e8ox 2025-09-08T04:10:14,855 Created temporary directory: /tmp/pip-ephem-wheel-cache-7_awx4k8 2025-09-08T04:10:14,915 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2025-09-08T04:10:14,918 2 location(s) to search for versions of raspa2: 2025-09-08T04:10:14,918 * https://pypi.org/simple/raspa2/ 2025-09-08T04:10:14,918 * https://www.piwheels.org/simple/raspa2/ 2025-09-08T04:10:14,918 Fetching project page and analyzing links: https://pypi.org/simple/raspa2/ 2025-09-08T04:10:14,918 Getting page https://pypi.org/simple/raspa2/ 2025-09-08T04:10:14,919 Found index url https://pypi.org/simple/ 2025-09-08T04:10:14,990 Fetched page https://pypi.org/simple/raspa2/ as application/vnd.pypi.simple.v1+json 2025-09-08T04:10:14,992 Found link https://files.pythonhosted.org/packages/13/96/b7c3139df4febe43380e8391c52883a361aa4c3b1a48ca59cb124a678c43/RASPA2-2.0.0.tar.gz (from https://pypi.org/simple/raspa2/), version: 2.0.0 2025-09-08T04:10:14,992 Found link https://files.pythonhosted.org/packages/73/5d/292863b00a128c69bffbb57894d7fbf959bcea6bf6b9ae7f1dc465a76e3a/RASPA2-2.0.1.tar.gz (from https://pypi.org/simple/raspa2/), version: 2.0.1 2025-09-08T04:10:14,992 Found link https://files.pythonhosted.org/packages/b6/ea/debb1c49fd389a8e1956bce120f2c7cc86d3aa2fe3f12fe320c8a693f208/RASPA2-2.0.2.tar.gz (from https://pypi.org/simple/raspa2/), version: 2.0.2 2025-09-08T04:10:14,992 Skipping link: No binaries permitted for raspa2: https://files.pythonhosted.org/packages/8a/8c/5efbf97988c86f120646e3c575b53b5ce63d09eb6692c11e1a89f288f3a9/RASPA2-2.0.3-cp34-cp34m-macosx_10_5_x86_64.whl (from https://pypi.org/simple/raspa2/) 2025-09-08T04:10:14,993 Found link https://files.pythonhosted.org/packages/98/0d/b750772608f1727fcc1ab455f538d4aa3631943bccecc0309d7bbe7bdd92/RASPA2-2.0.3.tar.gz (from https://pypi.org/simple/raspa2/), version: 2.0.3 2025-09-08T04:10:14,993 Skipping link: No binaries permitted for raspa2: https://files.pythonhosted.org/packages/b9/ae/67a5038d0931d0e444c86487983359e6462f52286eb1840011022ba81a00/RASPA2-2.0.4-cp37-cp37m-macosx_10_9_x86_64.whl (from https://pypi.org/simple/raspa2/) 2025-09-08T04:10:14,993 Skipping link: No binaries permitted for raspa2: https://files.pythonhosted.org/packages/fd/40/5f0c69b05c8f564e6caf3f8c99179b424b02bdbaf3f76aa3d8d947ee382b/RASPA2-2.0.4-cp37-cp37m-manylinux_2_24_x86_64.whl (from https://pypi.org/simple/raspa2/) 2025-09-08T04:10:14,993 Found link https://files.pythonhosted.org/packages/df/7c/6b435fed5080134b1bdeecf82ce490a4d324f3fb87a432b226623f7cd69f/RASPA2-2.0.4.tar.gz (from https://pypi.org/simple/raspa2/), version: 2.0.4 2025-09-08T04:10:14,993 Fetching project page and analyzing links: https://www.piwheels.org/simple/raspa2/ 2025-09-08T04:10:14,994 Getting page https://www.piwheels.org/simple/raspa2/ 2025-09-08T04:10:14,994 Found index url https://www.piwheels.org/simple/ 2025-09-08T04:10:15,082 Fetched page https://www.piwheels.org/simple/raspa2/ as text/html 2025-09-08T04:10:15,087 Skipping link: No binaries permitted for raspa2: https://archive1.piwheels.org/simple/raspa2/RASPA2-2.0.4-cp311-cp311-linux_armv6l.whl#sha256=3b5ee4128d10f5eee7796c3cb97074009fce312e38d21838cdbc8cbcc53a3fd8 (from https://www.piwheels.org/simple/raspa2/) 2025-09-08T04:10:15,088 Skipping link: No binaries permitted for raspa2: https://archive1.piwheels.org/simple/raspa2/RASPA2-2.0.4-cp311-cp311-linux_armv7l.whl#sha256=3b5ee4128d10f5eee7796c3cb97074009fce312e38d21838cdbc8cbcc53a3fd8 (from https://www.piwheels.org/simple/raspa2/) 2025-09-08T04:10:15,088 Skipping link: No binaries permitted for raspa2: https://archive1.piwheels.org/simple/raspa2/RASPA2-2.0.4-cp37-cp37m-linux_armv6l.whl#sha256=3c3310f5920964da463b848531c27ddaabe18597c629ad93fa208207f37a7182 (from https://www.piwheels.org/simple/raspa2/) 2025-09-08T04:10:15,088 Skipping link: No binaries permitted for raspa2: https://archive1.piwheels.org/simple/raspa2/RASPA2-2.0.4-cp37-cp37m-linux_armv7l.whl#sha256=3c3310f5920964da463b848531c27ddaabe18597c629ad93fa208207f37a7182 (from https://www.piwheels.org/simple/raspa2/) 2025-09-08T04:10:15,088 Skipping link: No binaries permitted for raspa2: https://archive1.piwheels.org/simple/raspa2/RASPA2-2.0.4-cp35-cp35m-linux_armv6l.whl#sha256=ec2a374667f2350cc206bf9b00ed6cd65e9f9ebc044c913099a4112700a3ec0f (from https://www.piwheels.org/simple/raspa2/) 2025-09-08T04:10:15,088 Skipping link: No binaries permitted for raspa2: https://archive1.piwheels.org/simple/raspa2/RASPA2-2.0.4-cp35-cp35m-linux_armv7l.whl#sha256=ec2a374667f2350cc206bf9b00ed6cd65e9f9ebc044c913099a4112700a3ec0f (from https://www.piwheels.org/simple/raspa2/) 2025-09-08T04:10:15,088 Skipping link: No binaries permitted for raspa2: https://archive1.piwheels.org/simple/raspa2/RASPA2-2.0.4-cp39-cp39-linux_armv6l.whl#sha256=29c51dee509800d0af7ecfa22f50d5bc89c31983e3fa7479206ec0b8c71b3fd0 (from https://www.piwheels.org/simple/raspa2/) 2025-09-08T04:10:15,089 Skipping link: No binaries permitted for raspa2: https://archive1.piwheels.org/simple/raspa2/RASPA2-2.0.4-cp39-cp39-linux_armv7l.whl#sha256=29c51dee509800d0af7ecfa22f50d5bc89c31983e3fa7479206ec0b8c71b3fd0 (from https://www.piwheels.org/simple/raspa2/) 2025-09-08T04:10:15,089 Skipping link: No binaries permitted for raspa2: https://archive1.piwheels.org/simple/raspa2/RASPA2-2.0.3-cp35-cp35m-linux_armv6l.whl#sha256=5358b694dded9a878c55a227dc5c4aaf9fab7b2f79c287ed912ba97591882f12 (from https://www.piwheels.org/simple/raspa2/) 2025-09-08T04:10:15,089 Skipping link: No binaries permitted for raspa2: https://archive1.piwheels.org/simple/raspa2/RASPA2-2.0.3-cp35-cp35m-linux_armv7l.whl#sha256=5358b694dded9a878c55a227dc5c4aaf9fab7b2f79c287ed912ba97591882f12 (from https://www.piwheels.org/simple/raspa2/) 2025-09-08T04:10:15,089 Skipping link: No binaries permitted for raspa2: https://archive1.piwheels.org/simple/raspa2/RASPA2-2.0.3-cp34-cp34m-linux_armv7l.whl#sha256=d46c1d171046c7643720cdac365443173f1cc39abf1804652a157d2681f4e91d (from https://www.piwheels.org/simple/raspa2/) 2025-09-08T04:10:15,089 Skipping link: No binaries permitted for raspa2: https://archive1.piwheels.org/simple/raspa2/RASPA2-2.0.3-cp34-cp34m-linux_armv6l.whl#sha256=d46c1d171046c7643720cdac365443173f1cc39abf1804652a157d2681f4e91d (from https://www.piwheels.org/simple/raspa2/) 2025-09-08T04:10:15,089 Skipping link: No binaries permitted for raspa2: https://archive1.piwheels.org/simple/raspa2/RASPA2-2.0.3-cp39-cp39-linux_armv6l.whl#sha256=50889956b267723ba0971f15e156f643aeebf66cef6787dbaad13fc1b6664d4f (from https://www.piwheels.org/simple/raspa2/) 2025-09-08T04:10:15,090 Skipping link: No binaries permitted for raspa2: https://archive1.piwheels.org/simple/raspa2/RASPA2-2.0.3-cp39-cp39-linux_armv7l.whl#sha256=50889956b267723ba0971f15e156f643aeebf66cef6787dbaad13fc1b6664d4f (from https://www.piwheels.org/simple/raspa2/) 2025-09-08T04:10:15,090 Skipping link: No binaries permitted for raspa2: https://archive1.piwheels.org/simple/raspa2/RASPA2-2.0.2-cp35-cp35m-linux_armv7l.whl#sha256=a28853c58c0d4db78218d34325b4507e2e61d10c2ac02aef1210d75d3e032a7e (from https://www.piwheels.org/simple/raspa2/) 2025-09-08T04:10:15,090 Skipping link: No binaries permitted for raspa2: https://archive1.piwheels.org/simple/raspa2/RASPA2-2.0.2-cp35-cp35m-linux_armv6l.whl#sha256=a28853c58c0d4db78218d34325b4507e2e61d10c2ac02aef1210d75d3e032a7e (from https://www.piwheels.org/simple/raspa2/) 2025-09-08T04:10:15,090 Skipping link: No binaries permitted for raspa2: https://archive1.piwheels.org/simple/raspa2/RASPA2-2.0.2-cp34-cp34m-linux_armv7l.whl#sha256=145d3b17f0414283b7341581ef85c23156473548ef20114155b1ba0b8c4dbbce (from https://www.piwheels.org/simple/raspa2/) 2025-09-08T04:10:15,090 Skipping link: No binaries permitted for raspa2: https://archive1.piwheels.org/simple/raspa2/RASPA2-2.0.2-cp34-cp34m-linux_armv6l.whl#sha256=145d3b17f0414283b7341581ef85c23156473548ef20114155b1ba0b8c4dbbce (from https://www.piwheels.org/simple/raspa2/) 2025-09-08T04:10:15,090 Skipping link: No binaries permitted for raspa2: https://archive1.piwheels.org/simple/raspa2/RASPA2-2.0.2-cp39-cp39-linux_armv6l.whl#sha256=4931693023f00bdc19259fdaa6ca6047a5e39cb0cc4d7b2c72506ef16c6880e8 (from https://www.piwheels.org/simple/raspa2/) 2025-09-08T04:10:15,091 Skipping link: No binaries permitted for raspa2: https://archive1.piwheels.org/simple/raspa2/RASPA2-2.0.2-cp39-cp39-linux_armv7l.whl#sha256=4931693023f00bdc19259fdaa6ca6047a5e39cb0cc4d7b2c72506ef16c6880e8 (from https://www.piwheels.org/simple/raspa2/) 2025-09-08T04:10:15,091 Skipping link: not a file: https://www.piwheels.org/simple/raspa2/ 2025-09-08T04:10:15,091 Skipping link: not a file: https://pypi.org/simple/raspa2/ 2025-09-08T04:10:15,116 Given no hashes to check 1 links for project 'raspa2': discarding no candidates 2025-09-08T04:10:15,117 Collecting raspa2==2.0.3 2025-09-08T04:10:15,118 Created temporary directory: /tmp/pip-unpack-fzf0s7h9 2025-09-08T04:10:15,374 Downloading RASPA2-2.0.3.tar.gz (3.2 MB) 2025-09-08T04:10:16,743 Added raspa2==2.0.3 from https://files.pythonhosted.org/packages/98/0d/b750772608f1727fcc1ab455f538d4aa3631943bccecc0309d7bbe7bdd92/RASPA2-2.0.3.tar.gz to build tracker '/tmp/pip-build-tracker-ogsm5yb3' 2025-09-08T04:10:16,744 Running setup.py (path:/tmp/pip-wheel-6zz4e8ox/raspa2_42a91fc0002345b9adb5032206390d80/setup.py) egg_info for package raspa2 2025-09-08T04:10:16,744 Created temporary directory: /tmp/pip-pip-egg-info-6797v538 2025-09-08T04:10:16,744 Preparing metadata (setup.py): started 2025-09-08T04:10:16,745 Running command python setup.py egg_info 2025-09-08T04:10:17,981 running egg_info 2025-09-08T04:10:18,058 creating /tmp/pip-pip-egg-info-6797v538/RASPA2.egg-info 2025-09-08T04:10:18,058 writing /tmp/pip-pip-egg-info-6797v538/RASPA2.egg-info/PKG-INFO 2025-09-08T04:10:18,060 writing dependency_links to /tmp/pip-pip-egg-info-6797v538/RASPA2.egg-info/dependency_links.txt 2025-09-08T04:10:18,060 writing entry points to /tmp/pip-pip-egg-info-6797v538/RASPA2.egg-info/entry_points.txt 2025-09-08T04:10:18,061 writing top-level names to /tmp/pip-pip-egg-info-6797v538/RASPA2.egg-info/top_level.txt 2025-09-08T04:10:18,061 writing manifest file '/tmp/pip-pip-egg-info-6797v538/RASPA2.egg-info/SOURCES.txt' 2025-09-08T04:10:18,416 reading manifest file '/tmp/pip-pip-egg-info-6797v538/RASPA2.egg-info/SOURCES.txt' 2025-09-08T04:10:18,417 reading manifest template 'MANIFEST.in' 2025-09-08T04:10:18,533 writing manifest file '/tmp/pip-pip-egg-info-6797v538/RASPA2.egg-info/SOURCES.txt' 2025-09-08T04:10:18,654 Preparing metadata (setup.py): finished with status 'done' 2025-09-08T04:10:18,659 Source in /tmp/pip-wheel-6zz4e8ox/raspa2_42a91fc0002345b9adb5032206390d80 has version 2.0.3, which satisfies requirement raspa2==2.0.3 from https://files.pythonhosted.org/packages/98/0d/b750772608f1727fcc1ab455f538d4aa3631943bccecc0309d7bbe7bdd92/RASPA2-2.0.3.tar.gz 2025-09-08T04:10:18,659 Removed raspa2==2.0.3 from https://files.pythonhosted.org/packages/98/0d/b750772608f1727fcc1ab455f538d4aa3631943bccecc0309d7bbe7bdd92/RASPA2-2.0.3.tar.gz from build tracker '/tmp/pip-build-tracker-ogsm5yb3' 2025-09-08T04:10:18,662 Created temporary directory: /tmp/pip-unpack-p1w076iy 2025-09-08T04:10:18,663 Created temporary directory: /tmp/pip-unpack-1wfzi6xb 2025-09-08T04:10:18,663 Building wheels for collected packages: raspa2 2025-09-08T04:10:18,664 Created temporary directory: /tmp/pip-wheel-ff6oors4 2025-09-08T04:10:18,664 DEPRECATION: Building 'raspa2' using the legacy setup.py bdist_wheel mechanism, which will be removed in a future version. pip 25.3 will enforce this behaviour change. A possible replacement is to use the standardized build interface by setting the `--use-pep517` option, (possibly combined with `--no-build-isolation`), or adding a `pyproject.toml` file to the source tree of 'raspa2'. Discussion can be found at https://github.com/pypa/pip/issues/6334 2025-09-08T04:10:18,665 Building wheel for raspa2 (setup.py): started 2025-09-08T04:10:18,666 Destination directory: /tmp/pip-wheel-ff6oors4 2025-09-08T04:10:18,666 Running command python setup.py bdist_wheel 2025-09-08T04:10:19,827 running bdist_wheel 2025-09-08T04:10:20,204 running build 2025-09-08T04:10:20,204 running build_py 2025-09-08T04:10:20,285 creating build/lib.linux-armv7l-cpython-313/RASPA2 2025-09-08T04:10:20,285 copying python/raspa2.py -> build/lib.linux-armv7l-cpython-313/RASPA2 2025-09-08T04:10:20,286 copying python/output_parser.py -> build/lib.linux-armv7l-cpython-313/RASPA2 2025-09-08T04:10:20,286 copying python/__init__.py -> build/lib.linux-armv7l-cpython-313/RASPA2 2025-09-08T04:10:20,287 running egg_info 2025-09-08T04:10:20,361 writing RASPA2.egg-info/PKG-INFO 2025-09-08T04:10:20,362 writing dependency_links to RASPA2.egg-info/dependency_links.txt 2025-09-08T04:10:20,363 writing entry points to RASPA2.egg-info/entry_points.txt 2025-09-08T04:10:20,364 writing top-level names to RASPA2.egg-info/top_level.txt 2025-09-08T04:10:20,491 reading manifest file 'RASPA2.egg-info/SOURCES.txt' 2025-09-08T04:10:20,536 reading manifest template 'MANIFEST.in' 2025-09-08T04:10:20,663 writing manifest file 'RASPA2.egg-info/SOURCES.txt' 2025-09-08T04:10:20,665 /usr/local/lib/python3.13/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'RASPA2.share.raspa.forcefield.AmirjalayerSchmid' is absent from the `packages` configuration. 2025-09-08T04:10:20,665 !! 2025-09-08T04:10:20,665 ******************************************************************************** 2025-09-08T04:10:20,665 ############################ 2025-09-08T04:10:20,665 # Package would be ignored # 2025-09-08T04:10:20,666 ############################ 2025-09-08T04:10:20,666 Python recognizes 'RASPA2.share.raspa.forcefield.AmirjalayerSchmid' as an importable package[^1], 2025-09-08T04:10:20,666 but it is absent from setuptools' `packages` configuration. 2025-09-08T04:10:20,666 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T04:10:20,666 package, please make sure that 'RASPA2.share.raspa.forcefield.AmirjalayerSchmid' is explicitly added 2025-09-08T04:10:20,666 to the `packages` configuration field. 2025-09-08T04:10:20,666 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T04:10:20,666 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T04:10:20,666 instead of `find_packages(...)`/`find:`). 2025-09-08T04:10:20,667 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T04:10:20,667 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T04:10:20,667 If you don't want 'RASPA2.share.raspa.forcefield.AmirjalayerSchmid' to be distributed and are 2025-09-08T04:10:20,667 already explicitly excluding 'RASPA2.share.raspa.forcefield.AmirjalayerSchmid' via 2025-09-08T04:10:20,667 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T04:10:20,667 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T04:10:20,667 combination with a more fine grained `package-data` configuration. 2025-09-08T04:10:20,667 You can read more about "package data files" on setuptools documentation page: 2025-09-08T04:10:20,668 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T04:10:20,668 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T04:10:20,668 even if it does not contain any `.py` files. 2025-09-08T04:10:20,668 On the other hand, currently there is no concept of package data 2025-09-08T04:10:20,668 directory, all directories are treated like packages. 2025-09-08T04:10:20,668 ******************************************************************************** 2025-09-08T04:10:20,668 !! 2025-09-08T04:10:20,668 check.warn(importable) 2025-09-08T04:10:20,669 /usr/local/lib/python3.13/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'RASPA2.share.raspa.forcefield.CastilloVlugtCalero2009' is absent from the `packages` configuration. 2025-09-08T04:10:20,669 !! 2025-09-08T04:10:20,669 ******************************************************************************** 2025-09-08T04:10:20,669 ############################ 2025-09-08T04:10:20,669 # Package would be ignored # 2025-09-08T04:10:20,669 ############################ 2025-09-08T04:10:20,669 Python recognizes 'RASPA2.share.raspa.forcefield.CastilloVlugtCalero2009' as an importable package[^1], 2025-09-08T04:10:20,669 but it is absent from setuptools' `packages` configuration. 2025-09-08T04:10:20,670 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T04:10:20,670 package, please make sure that 'RASPA2.share.raspa.forcefield.CastilloVlugtCalero2009' is explicitly added 2025-09-08T04:10:20,670 to the `packages` configuration field. 2025-09-08T04:10:20,670 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T04:10:20,670 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T04:10:20,670 instead of `find_packages(...)`/`find:`). 2025-09-08T04:10:20,670 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T04:10:20,670 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T04:10:20,671 If you don't want 'RASPA2.share.raspa.forcefield.CastilloVlugtCalero2009' to be distributed and are 2025-09-08T04:10:20,671 already explicitly excluding 'RASPA2.share.raspa.forcefield.CastilloVlugtCalero2009' via 2025-09-08T04:10:20,671 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T04:10:20,671 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T04:10:20,671 combination with a more fine grained `package-data` configuration. 2025-09-08T04:10:20,671 You can read more about "package data files" on setuptools documentation page: 2025-09-08T04:10:20,671 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T04:10:20,672 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T04:10:20,672 even if it does not contain any `.py` files. 2025-09-08T04:10:20,672 On the other hand, currently there is no concept of package data 2025-09-08T04:10:20,672 directory, all directories are treated like packages. 2025-09-08T04:10:20,672 ******************************************************************************** 2025-09-08T04:10:20,672 !! 2025-09-08T04:10:20,672 check.warn(importable) 2025-09-08T04:10:20,672 /usr/local/lib/python3.13/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'RASPA2.share.raspa.forcefield.CoreShellCatlow' is absent from the `packages` configuration. 2025-09-08T04:10:20,672 !! 2025-09-08T04:10:20,673 ******************************************************************************** 2025-09-08T04:10:20,673 ############################ 2025-09-08T04:10:20,673 # Package would be ignored # 2025-09-08T04:10:20,673 ############################ 2025-09-08T04:10:20,673 Python recognizes 'RASPA2.share.raspa.forcefield.CoreShellCatlow' as an importable package[^1], 2025-09-08T04:10:20,673 but it is absent from setuptools' `packages` configuration. 2025-09-08T04:10:20,673 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T04:10:20,673 package, please make sure that 'RASPA2.share.raspa.forcefield.CoreShellCatlow' is explicitly added 2025-09-08T04:10:20,673 to the `packages` configuration field. 2025-09-08T04:10:20,673 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T04:10:20,674 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T04:10:20,674 instead of `find_packages(...)`/`find:`). 2025-09-08T04:10:20,674 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T04:10:20,674 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T04:10:20,674 If you don't want 'RASPA2.share.raspa.forcefield.CoreShellCatlow' to be distributed and are 2025-09-08T04:10:20,674 already explicitly excluding 'RASPA2.share.raspa.forcefield.CoreShellCatlow' via 2025-09-08T04:10:20,674 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T04:10:20,674 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T04:10:20,674 combination with a more fine grained `package-data` configuration. 2025-09-08T04:10:20,675 You can read more about "package data files" on setuptools documentation page: 2025-09-08T04:10:20,675 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T04:10:20,675 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T04:10:20,675 even if it does not contain any `.py` files. 2025-09-08T04:10:20,675 On the other hand, currently there is no concept of package data 2025-09-08T04:10:20,675 directory, all directories are treated like packages. 2025-09-08T04:10:20,675 ******************************************************************************** 2025-09-08T04:10:20,676 !! 2025-09-08T04:10:20,676 check.warn(importable) 2025-09-08T04:10:20,676 /usr/local/lib/python3.13/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'RASPA2.share.raspa.forcefield.CoreShellSastreGale2005' is absent from the `packages` configuration. 2025-09-08T04:10:20,676 !! 2025-09-08T04:10:20,676 ******************************************************************************** 2025-09-08T04:10:20,676 ############################ 2025-09-08T04:10:20,676 # Package would be ignored # 2025-09-08T04:10:20,676 ############################ 2025-09-08T04:10:20,676 Python recognizes 'RASPA2.share.raspa.forcefield.CoreShellSastreGale2005' as an importable package[^1], 2025-09-08T04:10:20,676 but it is absent from setuptools' `packages` configuration. 2025-09-08T04:10:20,677 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T04:10:20,677 package, please make sure that 'RASPA2.share.raspa.forcefield.CoreShellSastreGale2005' is explicitly added 2025-09-08T04:10:20,677 to the `packages` configuration field. 2025-09-08T04:10:20,677 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T04:10:20,677 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T04:10:20,677 instead of `find_packages(...)`/`find:`). 2025-09-08T04:10:20,677 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T04:10:20,677 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T04:10:20,678 If you don't want 'RASPA2.share.raspa.forcefield.CoreShellSastreGale2005' to be distributed and are 2025-09-08T04:10:20,678 already explicitly excluding 'RASPA2.share.raspa.forcefield.CoreShellSastreGale2005' via 2025-09-08T04:10:20,678 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T04:10:20,678 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T04:10:20,678 combination with a more fine grained `package-data` configuration. 2025-09-08T04:10:20,678 You can read more about "package data files" on setuptools documentation page: 2025-09-08T04:10:20,678 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T04:10:20,678 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T04:10:20,679 even if it does not contain any `.py` files. 2025-09-08T04:10:20,679 On the other hand, currently there is no concept of package data 2025-09-08T04:10:20,679 directory, all directories are treated like packages. 2025-09-08T04:10:20,679 ******************************************************************************** 2025-09-08T04:10:20,679 !! 2025-09-08T04:10:20,679 check.warn(importable) 2025-09-08T04:10:20,679 /usr/local/lib/python3.13/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'RASPA2.share.raspa.forcefield.CoreShellSchroderSauer' is absent from the `packages` configuration. 2025-09-08T04:10:20,679 !! 2025-09-08T04:10:20,679 ******************************************************************************** 2025-09-08T04:10:20,679 ############################ 2025-09-08T04:10:20,680 # Package would be ignored # 2025-09-08T04:10:20,680 ############################ 2025-09-08T04:10:20,680 Python recognizes 'RASPA2.share.raspa.forcefield.CoreShellSchroderSauer' as an importable package[^1], 2025-09-08T04:10:20,680 but it is absent from setuptools' `packages` configuration. 2025-09-08T04:10:20,680 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T04:10:20,680 package, please make sure that 'RASPA2.share.raspa.forcefield.CoreShellSchroderSauer' is explicitly added 2025-09-08T04:10:20,680 to the `packages` configuration field. 2025-09-08T04:10:20,680 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T04:10:20,680 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T04:10:20,680 instead of `find_packages(...)`/`find:`). 2025-09-08T04:10:20,681 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T04:10:20,681 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T04:10:20,681 If you don't want 'RASPA2.share.raspa.forcefield.CoreShellSchroderSauer' to be distributed and are 2025-09-08T04:10:20,681 already explicitly excluding 'RASPA2.share.raspa.forcefield.CoreShellSchroderSauer' via 2025-09-08T04:10:20,681 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T04:10:20,681 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T04:10:20,681 combination with a more fine grained `package-data` configuration. 2025-09-08T04:10:20,682 You can read more about "package data files" on setuptools documentation page: 2025-09-08T04:10:20,682 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T04:10:20,682 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T04:10:20,682 even if it does not contain any `.py` files. 2025-09-08T04:10:20,682 On the other hand, currently there is no concept of package data 2025-09-08T04:10:20,682 directory, all directories are treated like packages. 2025-09-08T04:10:20,682 ******************************************************************************** 2025-09-08T04:10:20,683 !! 2025-09-08T04:10:20,683 check.warn(importable) 2025-09-08T04:10:20,683 /usr/local/lib/python3.13/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'RASPA2.share.raspa.forcefield.CrystalGenerator' is absent from the `packages` configuration. 2025-09-08T04:10:20,683 !! 2025-09-08T04:10:20,683 ******************************************************************************** 2025-09-08T04:10:20,683 ############################ 2025-09-08T04:10:20,683 # Package would be ignored # 2025-09-08T04:10:20,683 ############################ 2025-09-08T04:10:20,683 Python recognizes 'RASPA2.share.raspa.forcefield.CrystalGenerator' as an importable package[^1], 2025-09-08T04:10:20,684 but it is absent from setuptools' `packages` configuration. 2025-09-08T04:10:20,684 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T04:10:20,684 package, please make sure that 'RASPA2.share.raspa.forcefield.CrystalGenerator' is explicitly added 2025-09-08T04:10:20,684 to the `packages` configuration field. 2025-09-08T04:10:20,684 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T04:10:20,684 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T04:10:20,684 instead of `find_packages(...)`/`find:`). 2025-09-08T04:10:20,684 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T04:10:20,685 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T04:10:20,685 If you don't want 'RASPA2.share.raspa.forcefield.CrystalGenerator' to be distributed and are 2025-09-08T04:10:20,685 already explicitly excluding 'RASPA2.share.raspa.forcefield.CrystalGenerator' via 2025-09-08T04:10:20,685 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T04:10:20,685 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T04:10:20,685 combination with a more fine grained `package-data` configuration. 2025-09-08T04:10:20,685 You can read more about "package data files" on setuptools documentation page: 2025-09-08T04:10:20,686 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T04:10:20,686 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T04:10:20,686 even if it does not contain any `.py` files. 2025-09-08T04:10:20,686 On the other hand, currently there is no concept of package data 2025-09-08T04:10:20,686 directory, all directories are treated like packages. 2025-09-08T04:10:20,686 ******************************************************************************** 2025-09-08T04:10:20,686 !! 2025-09-08T04:10:20,687 check.warn(importable) 2025-09-08T04:10:20,687 /usr/local/lib/python3.13/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'RASPA2.share.raspa.forcefield' is absent from the `packages` configuration. 2025-09-08T04:10:20,687 !! 2025-09-08T04:10:20,687 ******************************************************************************** 2025-09-08T04:10:20,687 ############################ 2025-09-08T04:10:20,687 # Package would be ignored # 2025-09-08T04:10:20,687 ############################ 2025-09-08T04:10:20,687 Python recognizes 'RASPA2.share.raspa.forcefield' as an importable package[^1], 2025-09-08T04:10:20,687 but it is absent from setuptools' `packages` configuration. 2025-09-08T04:10:20,688 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T04:10:20,688 package, please make sure that 'RASPA2.share.raspa.forcefield' is explicitly added 2025-09-08T04:10:20,688 to the `packages` configuration field. 2025-09-08T04:10:20,688 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T04:10:20,688 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T04:10:20,688 instead of `find_packages(...)`/`find:`). 2025-09-08T04:10:20,688 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T04:10:20,689 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T04:10:20,689 If you don't want 'RASPA2.share.raspa.forcefield' to be distributed and are 2025-09-08T04:10:20,689 already explicitly excluding 'RASPA2.share.raspa.forcefield' via 2025-09-08T04:10:20,689 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T04:10:20,689 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T04:10:20,689 combination with a more fine grained `package-data` configuration. 2025-09-08T04:10:20,689 You can read more about "package data files" on setuptools documentation page: 2025-09-08T04:10:20,689 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T04:10:20,690 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T04:10:20,690 even if it does not contain any `.py` files. 2025-09-08T04:10:20,690 On the other hand, currently there is no concept of package data 2025-09-08T04:10:20,690 directory, all directories are treated like packages. 2025-09-08T04:10:20,690 ******************************************************************************** 2025-09-08T04:10:20,690 !! 2025-09-08T04:10:20,690 check.warn(importable) 2025-09-08T04:10:20,690 /usr/local/lib/python3.13/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'RASPA2.share.raspa.forcefield.GarciaPerez2006' is absent from the `packages` configuration. 2025-09-08T04:10:20,691 !! 2025-09-08T04:10:20,691 ******************************************************************************** 2025-09-08T04:10:20,691 ############################ 2025-09-08T04:10:20,691 # Package would be ignored # 2025-09-08T04:10:20,691 ############################ 2025-09-08T04:10:20,691 Python recognizes 'RASPA2.share.raspa.forcefield.GarciaPerez2006' as an importable package[^1], 2025-09-08T04:10:20,691 but it is absent from setuptools' `packages` configuration. 2025-09-08T04:10:20,691 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T04:10:20,692 package, please make sure that 'RASPA2.share.raspa.forcefield.GarciaPerez2006' is explicitly added 2025-09-08T04:10:20,692 to the `packages` configuration field. 2025-09-08T04:10:20,692 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T04:10:20,692 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T04:10:20,692 instead of `find_packages(...)`/`find:`). 2025-09-08T04:10:20,692 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T04:10:20,692 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T04:10:20,693 If you don't want 'RASPA2.share.raspa.forcefield.GarciaPerez2006' to be distributed and are 2025-09-08T04:10:20,693 already explicitly excluding 'RASPA2.share.raspa.forcefield.GarciaPerez2006' via 2025-09-08T04:10:20,693 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T04:10:20,693 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T04:10:20,693 combination with a more fine grained `package-data` configuration. 2025-09-08T04:10:20,693 You can read more about "package data files" on setuptools documentation page: 2025-09-08T04:10:20,693 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T04:10:20,694 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T04:10:20,694 even if it does not contain any `.py` files. 2025-09-08T04:10:20,694 On the other hand, currently there is no concept of package data 2025-09-08T04:10:20,694 directory, all directories are treated like packages. 2025-09-08T04:10:20,694 ******************************************************************************** 2025-09-08T04:10:20,694 !! 2025-09-08T04:10:20,694 check.warn(importable) 2025-09-08T04:10:20,694 /usr/local/lib/python3.13/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'RASPA2.share.raspa.forcefield.GenericMOFs' is absent from the `packages` configuration. 2025-09-08T04:10:20,694 !! 2025-09-08T04:10:20,695 ******************************************************************************** 2025-09-08T04:10:20,695 ############################ 2025-09-08T04:10:20,695 # Package would be ignored # 2025-09-08T04:10:20,695 ############################ 2025-09-08T04:10:20,695 Python recognizes 'RASPA2.share.raspa.forcefield.GenericMOFs' as an importable package[^1], 2025-09-08T04:10:20,695 but it is absent from setuptools' `packages` configuration. 2025-09-08T04:10:20,695 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T04:10:20,695 package, please make sure that 'RASPA2.share.raspa.forcefield.GenericMOFs' is explicitly added 2025-09-08T04:10:20,696 to the `packages` configuration field. 2025-09-08T04:10:20,696 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T04:10:20,696 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T04:10:20,696 instead of `find_packages(...)`/`find:`). 2025-09-08T04:10:20,696 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T04:10:20,696 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T04:10:20,697 If you don't want 'RASPA2.share.raspa.forcefield.GenericMOFs' to be distributed and are 2025-09-08T04:10:20,697 already explicitly excluding 'RASPA2.share.raspa.forcefield.GenericMOFs' via 2025-09-08T04:10:20,697 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T04:10:20,697 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T04:10:20,697 combination with a more fine grained `package-data` configuration. 2025-09-08T04:10:20,697 You can read more about "package data files" on setuptools documentation page: 2025-09-08T04:10:20,697 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T04:10:20,698 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T04:10:20,698 even if it does not contain any `.py` files. 2025-09-08T04:10:20,698 On the other hand, currently there is no concept of package data 2025-09-08T04:10:20,698 directory, all directories are treated like packages. 2025-09-08T04:10:20,698 ******************************************************************************** 2025-09-08T04:10:20,698 !! 2025-09-08T04:10:20,698 check.warn(importable) 2025-09-08T04:10:20,698 /usr/local/lib/python3.13/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'RASPA2.share.raspa.forcefield.GenericZeolites' is absent from the `packages` configuration. 2025-09-08T04:10:20,699 !! 2025-09-08T04:10:20,699 ******************************************************************************** 2025-09-08T04:10:20,699 ############################ 2025-09-08T04:10:20,699 # Package would be ignored # 2025-09-08T04:10:20,699 ############################ 2025-09-08T04:10:20,699 Python recognizes 'RASPA2.share.raspa.forcefield.GenericZeolites' as an importable package[^1], 2025-09-08T04:10:20,699 but it is absent from setuptools' `packages` configuration. 2025-09-08T04:10:20,699 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T04:10:20,699 package, please make sure that 'RASPA2.share.raspa.forcefield.GenericZeolites' is explicitly added 2025-09-08T04:10:20,700 to the `packages` configuration field. 2025-09-08T04:10:20,700 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T04:10:20,700 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T04:10:20,700 instead of `find_packages(...)`/`find:`). 2025-09-08T04:10:20,700 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T04:10:20,700 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T04:10:20,701 If you don't want 'RASPA2.share.raspa.forcefield.GenericZeolites' to be distributed and are 2025-09-08T04:10:20,701 already explicitly excluding 'RASPA2.share.raspa.forcefield.GenericZeolites' via 2025-09-08T04:10:20,701 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T04:10:20,701 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T04:10:20,701 combination with a more fine grained `package-data` configuration. 2025-09-08T04:10:20,701 You can read more about "package data files" on setuptools documentation page: 2025-09-08T04:10:20,701 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T04:10:20,702 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T04:10:20,702 even if it does not contain any `.py` files. 2025-09-08T04:10:20,702 On the other hand, currently there is no concept of package data 2025-09-08T04:10:20,702 directory, all directories are treated like packages. 2025-09-08T04:10:20,702 ******************************************************************************** 2025-09-08T04:10:20,702 !! 2025-09-08T04:10:20,702 check.warn(importable) 2025-09-08T04:10:20,702 /usr/local/lib/python3.13/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'RASPA2.share.raspa.forcefield.Nicholas' is absent from the `packages` configuration. 2025-09-08T04:10:20,702 !! 2025-09-08T04:10:20,703 ******************************************************************************** 2025-09-08T04:10:20,703 ############################ 2025-09-08T04:10:20,703 # Package would be ignored # 2025-09-08T04:10:20,703 ############################ 2025-09-08T04:10:20,703 Python recognizes 'RASPA2.share.raspa.forcefield.Nicholas' as an importable package[^1], 2025-09-08T04:10:20,703 but it is absent from setuptools' `packages` configuration. 2025-09-08T04:10:20,703 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T04:10:20,703 package, please make sure that 'RASPA2.share.raspa.forcefield.Nicholas' is explicitly added 2025-09-08T04:10:20,703 to the `packages` configuration field. 2025-09-08T04:10:20,704 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T04:10:20,704 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T04:10:20,704 instead of `find_packages(...)`/`find:`). 2025-09-08T04:10:20,704 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T04:10:20,704 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T04:10:20,704 If you don't want 'RASPA2.share.raspa.forcefield.Nicholas' to be distributed and are 2025-09-08T04:10:20,704 already explicitly excluding 'RASPA2.share.raspa.forcefield.Nicholas' via 2025-09-08T04:10:20,704 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T04:10:20,704 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T04:10:20,705 combination with a more fine grained `package-data` configuration. 2025-09-08T04:10:20,705 You can read more about "package data files" on setuptools documentation page: 2025-09-08T04:10:20,705 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T04:10:20,705 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T04:10:20,705 even if it does not contain any `.py` files. 2025-09-08T04:10:20,705 On the other hand, currently there is no concept of package data 2025-09-08T04:10:20,705 directory, all directories are treated like packages. 2025-09-08T04:10:20,706 ******************************************************************************** 2025-09-08T04:10:20,706 !! 2025-09-08T04:10:20,706 check.warn(importable) 2025-09-08T04:10:20,706 /usr/local/lib/python3.13/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'RASPA2.share.raspa.forcefield.Pascual2004' is absent from the `packages` configuration. 2025-09-08T04:10:20,706 !! 2025-09-08T04:10:20,706 ******************************************************************************** 2025-09-08T04:10:20,706 ############################ 2025-09-08T04:10:20,706 # Package would be ignored # 2025-09-08T04:10:20,706 ############################ 2025-09-08T04:10:20,706 Python recognizes 'RASPA2.share.raspa.forcefield.Pascual2004' as an importable package[^1], 2025-09-08T04:10:20,707 but it is absent from setuptools' `packages` configuration. 2025-09-08T04:10:20,707 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T04:10:20,707 package, please make sure that 'RASPA2.share.raspa.forcefield.Pascual2004' is explicitly added 2025-09-08T04:10:20,707 to the `packages` configuration field. 2025-09-08T04:10:20,707 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T04:10:20,707 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T04:10:20,707 instead of `find_packages(...)`/`find:`). 2025-09-08T04:10:20,707 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T04:10:20,708 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T04:10:20,708 If you don't want 'RASPA2.share.raspa.forcefield.Pascual2004' to be distributed and are 2025-09-08T04:10:20,708 already explicitly excluding 'RASPA2.share.raspa.forcefield.Pascual2004' via 2025-09-08T04:10:20,708 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T04:10:20,708 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T04:10:20,708 combination with a more fine grained `package-data` configuration. 2025-09-08T04:10:20,708 You can read more about "package data files" on setuptools documentation page: 2025-09-08T04:10:20,708 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T04:10:20,709 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T04:10:20,709 even if it does not contain any `.py` files. 2025-09-08T04:10:20,709 On the other hand, currently there is no concept of package data 2025-09-08T04:10:20,709 directory, all directories are treated like packages. 2025-09-08T04:10:20,709 ******************************************************************************** 2025-09-08T04:10:20,709 !! 2025-09-08T04:10:20,709 check.warn(importable) 2025-09-08T04:10:20,709 /usr/local/lib/python3.13/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'RASPA2.share.raspa.forcefield.RigidIonKramer1991' is absent from the `packages` configuration. 2025-09-08T04:10:20,709 !! 2025-09-08T04:10:20,710 ******************************************************************************** 2025-09-08T04:10:20,710 ############################ 2025-09-08T04:10:20,710 # Package would be ignored # 2025-09-08T04:10:20,710 ############################ 2025-09-08T04:10:20,710 Python recognizes 'RASPA2.share.raspa.forcefield.RigidIonKramer1991' as an importable package[^1], 2025-09-08T04:10:20,710 but it is absent from setuptools' `packages` configuration. 2025-09-08T04:10:20,710 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T04:10:20,710 package, please make sure that 'RASPA2.share.raspa.forcefield.RigidIonKramer1991' is explicitly added 2025-09-08T04:10:20,710 to the `packages` configuration field. 2025-09-08T04:10:20,711 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T04:10:20,711 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T04:10:20,711 instead of `find_packages(...)`/`find:`). 2025-09-08T04:10:20,711 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T04:10:20,711 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T04:10:20,711 If you don't want 'RASPA2.share.raspa.forcefield.RigidIonKramer1991' to be distributed and are 2025-09-08T04:10:20,711 already explicitly excluding 'RASPA2.share.raspa.forcefield.RigidIonKramer1991' via 2025-09-08T04:10:20,711 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T04:10:20,711 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T04:10:20,712 combination with a more fine grained `package-data` configuration. 2025-09-08T04:10:20,712 You can read more about "package data files" on setuptools documentation page: 2025-09-08T04:10:20,712 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T04:10:20,712 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T04:10:20,712 even if it does not contain any `.py` files. 2025-09-08T04:10:20,712 On the other hand, currently there is no concept of package data 2025-09-08T04:10:20,712 directory, all directories are treated like packages. 2025-09-08T04:10:20,712 ******************************************************************************** 2025-09-08T04:10:20,713 !! 2025-09-08T04:10:20,713 check.warn(importable) 2025-09-08T04:10:20,713 /usr/local/lib/python3.13/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'RASPA2.share.raspa.forcefield.TraPPE' is absent from the `packages` configuration. 2025-09-08T04:10:20,713 !! 2025-09-08T04:10:20,713 ******************************************************************************** 2025-09-08T04:10:20,713 ############################ 2025-09-08T04:10:20,713 # Package would be ignored # 2025-09-08T04:10:20,713 ############################ 2025-09-08T04:10:20,713 Python recognizes 'RASPA2.share.raspa.forcefield.TraPPE' as an importable package[^1], 2025-09-08T04:10:20,714 but it is absent from setuptools' `packages` configuration. 2025-09-08T04:10:20,714 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T04:10:20,714 package, please make sure that 'RASPA2.share.raspa.forcefield.TraPPE' is explicitly added 2025-09-08T04:10:20,714 to the `packages` configuration field. 2025-09-08T04:10:20,714 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T04:10:20,714 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T04:10:20,714 instead of `find_packages(...)`/`find:`). 2025-09-08T04:10:20,714 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T04:10:20,715 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T04:10:20,715 If you don't want 'RASPA2.share.raspa.forcefield.TraPPE' to be distributed and are 2025-09-08T04:10:20,715 already explicitly excluding 'RASPA2.share.raspa.forcefield.TraPPE' via 2025-09-08T04:10:20,715 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T04:10:20,715 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T04:10:20,715 combination with a more fine grained `package-data` configuration. 2025-09-08T04:10:20,715 You can read more about "package data files" on setuptools documentation page: 2025-09-08T04:10:20,715 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T04:10:20,716 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T04:10:20,716 even if it does not contain any `.py` files. 2025-09-08T04:10:20,716 On the other hand, currently there is no concept of package data 2025-09-08T04:10:20,716 directory, all directories are treated like packages. 2025-09-08T04:10:20,716 ******************************************************************************** 2025-09-08T04:10:20,716 !! 2025-09-08T04:10:20,716 check.warn(importable) 2025-09-08T04:10:20,716 /usr/local/lib/python3.13/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'RASPA2.share.raspa.framework.AmirjalayerSchmid' is absent from the `packages` configuration. 2025-09-08T04:10:20,716 !! 2025-09-08T04:10:20,717 ******************************************************************************** 2025-09-08T04:10:20,717 ############################ 2025-09-08T04:10:20,717 # Package would be ignored # 2025-09-08T04:10:20,717 ############################ 2025-09-08T04:10:20,717 Python recognizes 'RASPA2.share.raspa.framework.AmirjalayerSchmid' as an importable package[^1], 2025-09-08T04:10:20,717 but it is absent from setuptools' `packages` configuration. 2025-09-08T04:10:20,717 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T04:10:20,717 package, please make sure that 'RASPA2.share.raspa.framework.AmirjalayerSchmid' is explicitly added 2025-09-08T04:10:20,717 to the `packages` configuration field. 2025-09-08T04:10:20,717 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T04:10:20,718 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T04:10:20,718 instead of `find_packages(...)`/`find:`). 2025-09-08T04:10:20,718 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T04:10:20,718 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T04:10:20,718 If you don't want 'RASPA2.share.raspa.framework.AmirjalayerSchmid' to be distributed and are 2025-09-08T04:10:20,718 already explicitly excluding 'RASPA2.share.raspa.framework.AmirjalayerSchmid' via 2025-09-08T04:10:20,718 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T04:10:20,718 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T04:10:20,718 combination with a more fine grained `package-data` configuration. 2025-09-08T04:10:20,719 You can read more about "package data files" on setuptools documentation page: 2025-09-08T04:10:20,719 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T04:10:20,719 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T04:10:20,719 even if it does not contain any `.py` files. 2025-09-08T04:10:20,719 On the other hand, currently there is no concept of package data 2025-09-08T04:10:20,719 directory, all directories are treated like packages. 2025-09-08T04:10:20,719 ******************************************************************************** 2025-09-08T04:10:20,720 !! 2025-09-08T04:10:20,720 check.warn(importable) 2025-09-08T04:10:20,720 /usr/local/lib/python3.13/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'RASPA2.share.raspa.framework.CoreShellCatlow' is absent from the `packages` configuration. 2025-09-08T04:10:20,720 !! 2025-09-08T04:10:20,720 ******************************************************************************** 2025-09-08T04:10:20,720 ############################ 2025-09-08T04:10:20,720 # Package would be ignored # 2025-09-08T04:10:20,720 ############################ 2025-09-08T04:10:20,720 Python recognizes 'RASPA2.share.raspa.framework.CoreShellCatlow' as an importable package[^1], 2025-09-08T04:10:20,720 but it is absent from setuptools' `packages` configuration. 2025-09-08T04:10:20,721 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T04:10:20,721 package, please make sure that 'RASPA2.share.raspa.framework.CoreShellCatlow' is explicitly added 2025-09-08T04:10:20,721 to the `packages` configuration field. 2025-09-08T04:10:20,721 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T04:10:20,721 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T04:10:20,721 instead of `find_packages(...)`/`find:`). 2025-09-08T04:10:20,721 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T04:10:20,721 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T04:10:20,722 If you don't want 'RASPA2.share.raspa.framework.CoreShellCatlow' to be distributed and are 2025-09-08T04:10:20,722 already explicitly excluding 'RASPA2.share.raspa.framework.CoreShellCatlow' via 2025-09-08T04:10:20,722 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T04:10:20,722 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T04:10:20,722 combination with a more fine grained `package-data` configuration. 2025-09-08T04:10:20,722 You can read more about "package data files" on setuptools documentation page: 2025-09-08T04:10:20,722 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T04:10:20,723 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T04:10:20,723 even if it does not contain any `.py` files. 2025-09-08T04:10:20,723 On the other hand, currently there is no concept of package data 2025-09-08T04:10:20,723 directory, all directories are treated like packages. 2025-09-08T04:10:20,723 ******************************************************************************** 2025-09-08T04:10:20,723 !! 2025-09-08T04:10:20,723 check.warn(importable) 2025-09-08T04:10:20,723 /usr/local/lib/python3.13/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'RASPA2.share.raspa.framework.CoreShellSastreGale2005' is absent from the `packages` configuration. 2025-09-08T04:10:20,723 !! 2025-09-08T04:10:20,724 ******************************************************************************** 2025-09-08T04:10:20,724 ############################ 2025-09-08T04:10:20,724 # Package would be ignored # 2025-09-08T04:10:20,724 ############################ 2025-09-08T04:10:20,724 Python recognizes 'RASPA2.share.raspa.framework.CoreShellSastreGale2005' as an importable package[^1], 2025-09-08T04:10:20,724 but it is absent from setuptools' `packages` configuration. 2025-09-08T04:10:20,724 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T04:10:20,724 package, please make sure that 'RASPA2.share.raspa.framework.CoreShellSastreGale2005' is explicitly added 2025-09-08T04:10:20,724 to the `packages` configuration field. 2025-09-08T04:10:20,724 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T04:10:20,725 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T04:10:20,725 instead of `find_packages(...)`/`find:`). 2025-09-08T04:10:20,725 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T04:10:20,725 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T04:10:20,725 If you don't want 'RASPA2.share.raspa.framework.CoreShellSastreGale2005' to be distributed and are 2025-09-08T04:10:20,725 already explicitly excluding 'RASPA2.share.raspa.framework.CoreShellSastreGale2005' via 2025-09-08T04:10:20,725 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T04:10:20,725 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T04:10:20,725 combination with a more fine grained `package-data` configuration. 2025-09-08T04:10:20,726 You can read more about "package data files" on setuptools documentation page: 2025-09-08T04:10:20,726 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T04:10:20,726 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T04:10:20,726 even if it does not contain any `.py` files. 2025-09-08T04:10:20,726 On the other hand, currently there is no concept of package data 2025-09-08T04:10:20,726 directory, all directories are treated like packages. 2025-09-08T04:10:20,726 ******************************************************************************** 2025-09-08T04:10:20,726 !! 2025-09-08T04:10:20,727 check.warn(importable) 2025-09-08T04:10:20,727 /usr/local/lib/python3.13/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'RASPA2.share.raspa.framework.CoreShellSchroderSauer' is absent from the `packages` configuration. 2025-09-08T04:10:20,727 !! 2025-09-08T04:10:20,727 ******************************************************************************** 2025-09-08T04:10:20,727 ############################ 2025-09-08T04:10:20,727 # Package would be ignored # 2025-09-08T04:10:20,727 ############################ 2025-09-08T04:10:20,727 Python recognizes 'RASPA2.share.raspa.framework.CoreShellSchroderSauer' as an importable package[^1], 2025-09-08T04:10:20,727 but it is absent from setuptools' `packages` configuration. 2025-09-08T04:10:20,727 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T04:10:20,728 package, please make sure that 'RASPA2.share.raspa.framework.CoreShellSchroderSauer' is explicitly added 2025-09-08T04:10:20,728 to the `packages` configuration field. 2025-09-08T04:10:20,728 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T04:10:20,728 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T04:10:20,728 instead of `find_packages(...)`/`find:`). 2025-09-08T04:10:20,728 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T04:10:20,728 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T04:10:20,728 If you don't want 'RASPA2.share.raspa.framework.CoreShellSchroderSauer' to be distributed and are 2025-09-08T04:10:20,729 already explicitly excluding 'RASPA2.share.raspa.framework.CoreShellSchroderSauer' via 2025-09-08T04:10:20,729 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T04:10:20,729 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T04:10:20,729 combination with a more fine grained `package-data` configuration. 2025-09-08T04:10:20,729 You can read more about "package data files" on setuptools documentation page: 2025-09-08T04:10:20,729 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T04:10:20,729 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T04:10:20,729 even if it does not contain any `.py` files. 2025-09-08T04:10:20,730 On the other hand, currently there is no concept of package data 2025-09-08T04:10:20,730 directory, all directories are treated like packages. 2025-09-08T04:10:20,730 ******************************************************************************** 2025-09-08T04:10:20,730 !! 2025-09-08T04:10:20,730 check.warn(importable) 2025-09-08T04:10:20,730 /usr/local/lib/python3.13/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'RASPA2.share.raspa.framework.Demontis' is absent from the `packages` configuration. 2025-09-08T04:10:20,730 !! 2025-09-08T04:10:20,730 ******************************************************************************** 2025-09-08T04:10:20,730 ############################ 2025-09-08T04:10:20,730 # Package would be ignored # 2025-09-08T04:10:20,731 ############################ 2025-09-08T04:10:20,731 Python recognizes 'RASPA2.share.raspa.framework.Demontis' as an importable package[^1], 2025-09-08T04:10:20,731 but it is absent from setuptools' `packages` configuration. 2025-09-08T04:10:20,731 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T04:10:20,731 package, please make sure that 'RASPA2.share.raspa.framework.Demontis' is explicitly added 2025-09-08T04:10:20,731 to the `packages` configuration field. 2025-09-08T04:10:20,731 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T04:10:20,731 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T04:10:20,731 instead of `find_packages(...)`/`find:`). 2025-09-08T04:10:20,732 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T04:10:20,732 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T04:10:20,732 If you don't want 'RASPA2.share.raspa.framework.Demontis' to be distributed and are 2025-09-08T04:10:20,732 already explicitly excluding 'RASPA2.share.raspa.framework.Demontis' via 2025-09-08T04:10:20,732 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T04:10:20,732 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T04:10:20,732 combination with a more fine grained `package-data` configuration. 2025-09-08T04:10:20,732 You can read more about "package data files" on setuptools documentation page: 2025-09-08T04:10:20,733 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T04:10:20,733 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T04:10:20,733 even if it does not contain any `.py` files. 2025-09-08T04:10:20,733 On the other hand, currently there is no concept of package data 2025-09-08T04:10:20,733 directory, all directories are treated like packages. 2025-09-08T04:10:20,733 ******************************************************************************** 2025-09-08T04:10:20,733 !! 2025-09-08T04:10:20,733 check.warn(importable) 2025-09-08T04:10:20,733 /usr/local/lib/python3.13/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'RASPA2.share.raspa.framework.DemontisModified' is absent from the `packages` configuration. 2025-09-08T04:10:20,734 !! 2025-09-08T04:10:20,734 ******************************************************************************** 2025-09-08T04:10:20,734 ############################ 2025-09-08T04:10:20,734 # Package would be ignored # 2025-09-08T04:10:20,734 ############################ 2025-09-08T04:10:20,734 Python recognizes 'RASPA2.share.raspa.framework.DemontisModified' as an importable package[^1], 2025-09-08T04:10:20,734 but it is absent from setuptools' `packages` configuration. 2025-09-08T04:10:20,734 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T04:10:20,734 package, please make sure that 'RASPA2.share.raspa.framework.DemontisModified' is explicitly added 2025-09-08T04:10:20,734 to the `packages` configuration field. 2025-09-08T04:10:20,735 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T04:10:20,735 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T04:10:20,735 instead of `find_packages(...)`/`find:`). 2025-09-08T04:10:20,735 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T04:10:20,735 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T04:10:20,735 If you don't want 'RASPA2.share.raspa.framework.DemontisModified' to be distributed and are 2025-09-08T04:10:20,735 already explicitly excluding 'RASPA2.share.raspa.framework.DemontisModified' via 2025-09-08T04:10:20,736 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T04:10:20,736 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T04:10:20,736 combination with a more fine grained `package-data` configuration. 2025-09-08T04:10:20,736 You can read more about "package data files" on setuptools documentation page: 2025-09-08T04:10:20,736 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T04:10:20,736 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T04:10:20,737 even if it does not contain any `.py` files. 2025-09-08T04:10:20,737 On the other hand, currently there is no concept of package data 2025-09-08T04:10:20,737 directory, all directories are treated like packages. 2025-09-08T04:10:20,737 ******************************************************************************** 2025-09-08T04:10:20,737 !! 2025-09-08T04:10:20,737 check.warn(importable) 2025-09-08T04:10:20,737 /usr/local/lib/python3.13/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'RASPA2.share.raspa.framework' is absent from the `packages` configuration. 2025-09-08T04:10:20,737 !! 2025-09-08T04:10:20,737 ******************************************************************************** 2025-09-08T04:10:20,737 ############################ 2025-09-08T04:10:20,738 # Package would be ignored # 2025-09-08T04:10:20,738 ############################ 2025-09-08T04:10:20,738 Python recognizes 'RASPA2.share.raspa.framework' as an importable package[^1], 2025-09-08T04:10:20,738 but it is absent from setuptools' `packages` configuration. 2025-09-08T04:10:20,738 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T04:10:20,738 package, please make sure that 'RASPA2.share.raspa.framework' is explicitly added 2025-09-08T04:10:20,738 to the `packages` configuration field. 2025-09-08T04:10:20,738 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T04:10:20,738 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T04:10:20,738 instead of `find_packages(...)`/`find:`). 2025-09-08T04:10:20,739 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T04:10:20,739 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T04:10:20,739 If you don't want 'RASPA2.share.raspa.framework' to be distributed and are 2025-09-08T04:10:20,739 already explicitly excluding 'RASPA2.share.raspa.framework' via 2025-09-08T04:10:20,739 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T04:10:20,739 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T04:10:20,739 combination with a more fine grained `package-data` configuration. 2025-09-08T04:10:20,740 You can read more about "package data files" on setuptools documentation page: 2025-09-08T04:10:20,740 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T04:10:20,740 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T04:10:20,740 even if it does not contain any `.py` files. 2025-09-08T04:10:20,740 On the other hand, currently there is no concept of package data 2025-09-08T04:10:20,740 directory, all directories are treated like packages. 2025-09-08T04:10:20,740 ******************************************************************************** 2025-09-08T04:10:20,740 !! 2025-09-08T04:10:20,741 check.warn(importable) 2025-09-08T04:10:20,741 /usr/local/lib/python3.13/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'RASPA2.share.raspa.framework.Nicholas' is absent from the `packages` configuration. 2025-09-08T04:10:20,741 !! 2025-09-08T04:10:20,741 ******************************************************************************** 2025-09-08T04:10:20,741 ############################ 2025-09-08T04:10:20,741 # Package would be ignored # 2025-09-08T04:10:20,741 ############################ 2025-09-08T04:10:20,741 Python recognizes 'RASPA2.share.raspa.framework.Nicholas' as an importable package[^1], 2025-09-08T04:10:20,741 but it is absent from setuptools' `packages` configuration. 2025-09-08T04:10:20,741 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T04:10:20,742 package, please make sure that 'RASPA2.share.raspa.framework.Nicholas' is explicitly added 2025-09-08T04:10:20,742 to the `packages` configuration field. 2025-09-08T04:10:20,742 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T04:10:20,742 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T04:10:20,742 instead of `find_packages(...)`/`find:`). 2025-09-08T04:10:20,742 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T04:10:20,742 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T04:10:20,743 If you don't want 'RASPA2.share.raspa.framework.Nicholas' to be distributed and are 2025-09-08T04:10:20,743 already explicitly excluding 'RASPA2.share.raspa.framework.Nicholas' via 2025-09-08T04:10:20,743 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T04:10:20,743 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T04:10:20,743 combination with a more fine grained `package-data` configuration. 2025-09-08T04:10:20,743 You can read more about "package data files" on setuptools documentation page: 2025-09-08T04:10:20,743 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T04:10:20,743 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T04:10:20,744 even if it does not contain any `.py` files. 2025-09-08T04:10:20,744 On the other hand, currently there is no concept of package data 2025-09-08T04:10:20,744 directory, all directories are treated like packages. 2025-09-08T04:10:20,744 ******************************************************************************** 2025-09-08T04:10:20,744 !! 2025-09-08T04:10:20,744 check.warn(importable) 2025-09-08T04:10:20,744 /usr/local/lib/python3.13/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'RASPA2.share.raspa.framework.NicholasModified' is absent from the `packages` configuration. 2025-09-08T04:10:20,744 !! 2025-09-08T04:10:20,744 ******************************************************************************** 2025-09-08T04:10:20,744 ############################ 2025-09-08T04:10:20,745 # Package would be ignored # 2025-09-08T04:10:20,745 ############################ 2025-09-08T04:10:20,745 Python recognizes 'RASPA2.share.raspa.framework.NicholasModified' as an importable package[^1], 2025-09-08T04:10:20,745 but it is absent from setuptools' `packages` configuration. 2025-09-08T04:10:20,745 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T04:10:20,745 package, please make sure that 'RASPA2.share.raspa.framework.NicholasModified' is explicitly added 2025-09-08T04:10:20,745 to the `packages` configuration field. 2025-09-08T04:10:20,745 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T04:10:20,745 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T04:10:20,745 instead of `find_packages(...)`/`find:`). 2025-09-08T04:10:20,746 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T04:10:20,746 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T04:10:20,746 If you don't want 'RASPA2.share.raspa.framework.NicholasModified' to be distributed and are 2025-09-08T04:10:20,746 already explicitly excluding 'RASPA2.share.raspa.framework.NicholasModified' via 2025-09-08T04:10:20,746 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T04:10:20,746 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T04:10:20,746 combination with a more fine grained `package-data` configuration. 2025-09-08T04:10:20,746 You can read more about "package data files" on setuptools documentation page: 2025-09-08T04:10:20,747 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T04:10:20,747 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T04:10:20,747 even if it does not contain any `.py` files. 2025-09-08T04:10:20,747 On the other hand, currently there is no concept of package data 2025-09-08T04:10:20,747 directory, all directories are treated like packages. 2025-09-08T04:10:20,747 ******************************************************************************** 2025-09-08T04:10:20,747 !! 2025-09-08T04:10:20,747 check.warn(importable) 2025-09-08T04:10:20,748 /usr/local/lib/python3.13/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'RASPA2.share.raspa.molecules.CastilloVlugtCalero2009' is absent from the `packages` configuration. 2025-09-08T04:10:20,748 !! 2025-09-08T04:10:20,748 ******************************************************************************** 2025-09-08T04:10:20,748 ############################ 2025-09-08T04:10:20,748 # Package would be ignored # 2025-09-08T04:10:20,748 ############################ 2025-09-08T04:10:20,748 Python recognizes 'RASPA2.share.raspa.molecules.CastilloVlugtCalero2009' as an importable package[^1], 2025-09-08T04:10:20,748 but it is absent from setuptools' `packages` configuration. 2025-09-08T04:10:20,748 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T04:10:20,749 package, please make sure that 'RASPA2.share.raspa.molecules.CastilloVlugtCalero2009' is explicitly added 2025-09-08T04:10:20,749 to the `packages` configuration field. 2025-09-08T04:10:20,749 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T04:10:20,749 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T04:10:20,749 instead of `find_packages(...)`/`find:`). 2025-09-08T04:10:20,749 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T04:10:20,749 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T04:10:20,749 If you don't want 'RASPA2.share.raspa.molecules.CastilloVlugtCalero2009' to be distributed and are 2025-09-08T04:10:20,750 already explicitly excluding 'RASPA2.share.raspa.molecules.CastilloVlugtCalero2009' via 2025-09-08T04:10:20,750 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T04:10:20,750 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T04:10:20,750 combination with a more fine grained `package-data` configuration. 2025-09-08T04:10:20,750 You can read more about "package data files" on setuptools documentation page: 2025-09-08T04:10:20,750 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T04:10:20,750 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T04:10:20,751 even if it does not contain any `.py` files. 2025-09-08T04:10:20,751 On the other hand, currently there is no concept of package data 2025-09-08T04:10:20,751 directory, all directories are treated like packages. 2025-09-08T04:10:20,751 ******************************************************************************** 2025-09-08T04:10:20,751 !! 2025-09-08T04:10:20,751 check.warn(importable) 2025-09-08T04:10:20,751 /usr/local/lib/python3.13/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'RASPA2.share.raspa.molecules.EPM2' is absent from the `packages` configuration. 2025-09-08T04:10:20,751 !! 2025-09-08T04:10:20,751 ******************************************************************************** 2025-09-08T04:10:20,752 ############################ 2025-09-08T04:10:20,752 # Package would be ignored # 2025-09-08T04:10:20,752 ############################ 2025-09-08T04:10:20,752 Python recognizes 'RASPA2.share.raspa.molecules.EPM2' as an importable package[^1], 2025-09-08T04:10:20,752 but it is absent from setuptools' `packages` configuration. 2025-09-08T04:10:20,752 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T04:10:20,752 package, please make sure that 'RASPA2.share.raspa.molecules.EPM2' is explicitly added 2025-09-08T04:10:20,752 to the `packages` configuration field. 2025-09-08T04:10:20,752 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T04:10:20,752 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T04:10:20,753 instead of `find_packages(...)`/`find:`). 2025-09-08T04:10:20,753 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T04:10:20,753 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T04:10:20,753 If you don't want 'RASPA2.share.raspa.molecules.EPM2' to be distributed and are 2025-09-08T04:10:20,753 already explicitly excluding 'RASPA2.share.raspa.molecules.EPM2' via 2025-09-08T04:10:20,753 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T04:10:20,753 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T04:10:20,753 combination with a more fine grained `package-data` configuration. 2025-09-08T04:10:20,754 You can read more about "package data files" on setuptools documentation page: 2025-09-08T04:10:20,754 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T04:10:20,754 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T04:10:20,754 even if it does not contain any `.py` files. 2025-09-08T04:10:20,754 On the other hand, currently there is no concept of package data 2025-09-08T04:10:20,754 directory, all directories are treated like packages. 2025-09-08T04:10:20,754 ******************************************************************************** 2025-09-08T04:10:20,755 !! 2025-09-08T04:10:20,755 check.warn(importable) 2025-09-08T04:10:20,755 /usr/local/lib/python3.13/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'RASPA2.share.raspa.molecules.TraPPE' is absent from the `packages` configuration. 2025-09-08T04:10:20,755 !! 2025-09-08T04:10:20,755 ******************************************************************************** 2025-09-08T04:10:20,755 ############################ 2025-09-08T04:10:20,755 # Package would be ignored # 2025-09-08T04:10:20,755 ############################ 2025-09-08T04:10:20,755 Python recognizes 'RASPA2.share.raspa.molecules.TraPPE' as an importable package[^1], 2025-09-08T04:10:20,755 but it is absent from setuptools' `packages` configuration. 2025-09-08T04:10:20,756 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T04:10:20,756 package, please make sure that 'RASPA2.share.raspa.molecules.TraPPE' is explicitly added 2025-09-08T04:10:20,756 to the `packages` configuration field. 2025-09-08T04:10:20,756 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T04:10:20,756 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T04:10:20,756 instead of `find_packages(...)`/`find:`). 2025-09-08T04:10:20,756 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T04:10:20,756 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T04:10:20,757 If you don't want 'RASPA2.share.raspa.molecules.TraPPE' to be distributed and are 2025-09-08T04:10:20,757 already explicitly excluding 'RASPA2.share.raspa.molecules.TraPPE' via 2025-09-08T04:10:20,757 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T04:10:20,757 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T04:10:20,757 combination with a more fine grained `package-data` configuration. 2025-09-08T04:10:20,757 You can read more about "package data files" on setuptools documentation page: 2025-09-08T04:10:20,757 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T04:10:20,758 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T04:10:20,758 even if it does not contain any `.py` files. 2025-09-08T04:10:20,758 On the other hand, currently there is no concept of package data 2025-09-08T04:10:20,758 directory, all directories are treated like packages. 2025-09-08T04:10:20,758 ******************************************************************************** 2025-09-08T04:10:20,758 !! 2025-09-08T04:10:20,758 check.warn(importable) 2025-09-08T04:10:20,758 /usr/local/lib/python3.13/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'RASPA2.share.raspa.molecules' is absent from the `packages` configuration. 2025-09-08T04:10:20,758 !! 2025-09-08T04:10:20,758 ******************************************************************************** 2025-09-08T04:10:20,759 ############################ 2025-09-08T04:10:20,759 # Package would be ignored # 2025-09-08T04:10:20,759 ############################ 2025-09-08T04:10:20,759 Python recognizes 'RASPA2.share.raspa.molecules' as an importable package[^1], 2025-09-08T04:10:20,759 but it is absent from setuptools' `packages` configuration. 2025-09-08T04:10:20,759 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T04:10:20,759 package, please make sure that 'RASPA2.share.raspa.molecules' is explicitly added 2025-09-08T04:10:20,759 to the `packages` configuration field. 2025-09-08T04:10:20,759 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T04:10:20,759 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T04:10:20,760 instead of `find_packages(...)`/`find:`). 2025-09-08T04:10:20,760 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T04:10:20,760 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T04:10:20,760 If you don't want 'RASPA2.share.raspa.molecules' to be distributed and are 2025-09-08T04:10:20,760 already explicitly excluding 'RASPA2.share.raspa.molecules' via 2025-09-08T04:10:20,760 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T04:10:20,760 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T04:10:20,760 combination with a more fine grained `package-data` configuration. 2025-09-08T04:10:20,761 You can read more about "package data files" on setuptools documentation page: 2025-09-08T04:10:20,761 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T04:10:20,761 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T04:10:20,761 even if it does not contain any `.py` files. 2025-09-08T04:10:20,761 On the other hand, currently there is no concept of package data 2025-09-08T04:10:20,761 directory, all directories are treated like packages. 2025-09-08T04:10:20,761 ******************************************************************************** 2025-09-08T04:10:20,762 !! 2025-09-08T04:10:20,762 check.warn(importable) 2025-09-08T04:10:20,762 /usr/local/lib/python3.13/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'RASPA2.share.raspa.structures.block' is absent from the `packages` configuration. 2025-09-08T04:10:20,762 !! 2025-09-08T04:10:20,762 ******************************************************************************** 2025-09-08T04:10:20,762 ############################ 2025-09-08T04:10:20,762 # Package would be ignored # 2025-09-08T04:10:20,762 ############################ 2025-09-08T04:10:20,762 Python recognizes 'RASPA2.share.raspa.structures.block' as an importable package[^1], 2025-09-08T04:10:20,762 but it is absent from setuptools' `packages` configuration. 2025-09-08T04:10:20,763 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T04:10:20,763 package, please make sure that 'RASPA2.share.raspa.structures.block' is explicitly added 2025-09-08T04:10:20,763 to the `packages` configuration field. 2025-09-08T04:10:20,763 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T04:10:20,763 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T04:10:20,763 instead of `find_packages(...)`/`find:`). 2025-09-08T04:10:20,763 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T04:10:20,764 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T04:10:20,764 If you don't want 'RASPA2.share.raspa.structures.block' to be distributed and are 2025-09-08T04:10:20,764 already explicitly excluding 'RASPA2.share.raspa.structures.block' via 2025-09-08T04:10:20,764 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T04:10:20,764 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T04:10:20,764 combination with a more fine grained `package-data` configuration. 2025-09-08T04:10:20,764 You can read more about "package data files" on setuptools documentation page: 2025-09-08T04:10:20,764 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T04:10:20,765 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T04:10:20,765 even if it does not contain any `.py` files. 2025-09-08T04:10:20,765 On the other hand, currently there is no concept of package data 2025-09-08T04:10:20,765 directory, all directories are treated like packages. 2025-09-08T04:10:20,765 ******************************************************************************** 2025-09-08T04:10:20,765 !! 2025-09-08T04:10:20,765 check.warn(importable) 2025-09-08T04:10:20,765 /usr/local/lib/python3.13/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'RASPA2.share.raspa.structures.cif' is absent from the `packages` configuration. 2025-09-08T04:10:20,765 !! 2025-09-08T04:10:20,766 ******************************************************************************** 2025-09-08T04:10:20,766 ############################ 2025-09-08T04:10:20,766 # Package would be ignored # 2025-09-08T04:10:20,766 ############################ 2025-09-08T04:10:20,766 Python recognizes 'RASPA2.share.raspa.structures.cif' as an importable package[^1], 2025-09-08T04:10:20,766 but it is absent from setuptools' `packages` configuration. 2025-09-08T04:10:20,766 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T04:10:20,766 package, please make sure that 'RASPA2.share.raspa.structures.cif' is explicitly added 2025-09-08T04:10:20,766 to the `packages` configuration field. 2025-09-08T04:10:20,766 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T04:10:20,767 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T04:10:20,767 instead of `find_packages(...)`/`find:`). 2025-09-08T04:10:20,767 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T04:10:20,767 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T04:10:20,767 If you don't want 'RASPA2.share.raspa.structures.cif' to be distributed and are 2025-09-08T04:10:20,767 already explicitly excluding 'RASPA2.share.raspa.structures.cif' via 2025-09-08T04:10:20,767 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T04:10:20,767 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T04:10:20,767 combination with a more fine grained `package-data` configuration. 2025-09-08T04:10:20,768 You can read more about "package data files" on setuptools documentation page: 2025-09-08T04:10:20,768 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T04:10:20,768 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T04:10:20,768 even if it does not contain any `.py` files. 2025-09-08T04:10:20,768 On the other hand, currently there is no concept of package data 2025-09-08T04:10:20,768 directory, all directories are treated like packages. 2025-09-08T04:10:20,768 ******************************************************************************** 2025-09-08T04:10:20,769 !! 2025-09-08T04:10:20,769 check.warn(importable) 2025-09-08T04:10:20,769 /usr/local/lib/python3.13/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'RASPA2.share.raspa.structures.ions' is absent from the `packages` configuration. 2025-09-08T04:10:20,769 !! 2025-09-08T04:10:20,769 ******************************************************************************** 2025-09-08T04:10:20,769 ############################ 2025-09-08T04:10:20,769 # Package would be ignored # 2025-09-08T04:10:20,769 ############################ 2025-09-08T04:10:20,769 Python recognizes 'RASPA2.share.raspa.structures.ions' as an importable package[^1], 2025-09-08T04:10:20,769 but it is absent from setuptools' `packages` configuration. 2025-09-08T04:10:20,770 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T04:10:20,770 package, please make sure that 'RASPA2.share.raspa.structures.ions' is explicitly added 2025-09-08T04:10:20,770 to the `packages` configuration field. 2025-09-08T04:10:20,770 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T04:10:20,770 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T04:10:20,770 instead of `find_packages(...)`/`find:`). 2025-09-08T04:10:20,770 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T04:10:20,770 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T04:10:20,771 If you don't want 'RASPA2.share.raspa.structures.ions' to be distributed and are 2025-09-08T04:10:20,771 already explicitly excluding 'RASPA2.share.raspa.structures.ions' via 2025-09-08T04:10:20,771 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T04:10:20,771 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T04:10:20,771 combination with a more fine grained `package-data` configuration. 2025-09-08T04:10:20,771 You can read more about "package data files" on setuptools documentation page: 2025-09-08T04:10:20,771 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T04:10:20,772 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T04:10:20,772 even if it does not contain any `.py` files. 2025-09-08T04:10:20,772 On the other hand, currently there is no concept of package data 2025-09-08T04:10:20,772 directory, all directories are treated like packages. 2025-09-08T04:10:20,772 ******************************************************************************** 2025-09-08T04:10:20,772 !! 2025-09-08T04:10:20,772 check.warn(importable) 2025-09-08T04:10:20,780 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2025-09-08T04:10:20,781 copying ./forcefield/AmirjalayerSchmid/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2025-09-08T04:10:20,782 copying ./forcefield/AmirjalayerSchmid/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2025-09-08T04:10:20,782 copying ./forcefield/AmirjalayerSchmid/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2025-09-08T04:10:20,783 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2025-09-08T04:10:20,783 copying ./forcefield/CastilloVlugtCalero2009/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2025-09-08T04:10:20,784 copying ./forcefield/CastilloVlugtCalero2009/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2025-09-08T04:10:20,784 copying ./forcefield/CastilloVlugtCalero2009/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2025-09-08T04:10:20,785 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellCatlow 2025-09-08T04:10:20,785 copying ./forcefield/CoreShellCatlow/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellCatlow 2025-09-08T04:10:20,785 copying ./forcefield/CoreShellCatlow/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellCatlow 2025-09-08T04:10:20,786 copying ./forcefield/CoreShellCatlow/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellCatlow 2025-09-08T04:10:20,786 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2025-09-08T04:10:20,787 copying ./forcefield/CoreShellSastreGale2005/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2025-09-08T04:10:20,787 copying ./forcefield/CoreShellSastreGale2005/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2025-09-08T04:10:20,788 copying ./forcefield/CoreShellSastreGale2005/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2025-09-08T04:10:20,788 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2025-09-08T04:10:20,789 copying ./forcefield/CoreShellSchroderSauer/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2025-09-08T04:10:20,789 copying ./forcefield/CoreShellSchroderSauer/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2025-09-08T04:10:20,790 copying ./forcefield/CoreShellSchroderSauer/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2025-09-08T04:10:20,790 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CrystalGenerator 2025-09-08T04:10:20,790 copying ./forcefield/CrystalGenerator/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CrystalGenerator 2025-09-08T04:10:20,791 copying ./forcefield/CrystalGenerator/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CrystalGenerator 2025-09-08T04:10:20,791 copying ./forcefield/CrystalGenerator/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CrystalGenerator 2025-09-08T04:10:20,792 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2025-09-08T04:10:20,792 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2025-09-08T04:10:20,793 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2025-09-08T04:10:20,793 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-1/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2025-09-08T04:10:20,794 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2025-09-08T04:10:20,794 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2025-09-08T04:10:20,795 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2025-09-08T04:10:20,795 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-10/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2025-09-08T04:10:20,796 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2025-09-08T04:10:20,796 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2025-09-08T04:10:20,797 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2025-09-08T04:10:20,797 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-16/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2025-09-08T04:10:20,798 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2025-09-08T04:10:20,798 copying ./forcefield/Dubbeldam2012MIL-100/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2025-09-08T04:10:20,798 copying ./forcefield/Dubbeldam2012MIL-100/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2025-09-08T04:10:20,799 copying ./forcefield/Dubbeldam2012MIL-100/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2025-09-08T04:10:20,799 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2025-09-08T04:10:20,800 copying ./forcefield/Dubbeldam2012MIL-101/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2025-09-08T04:10:20,800 copying ./forcefield/Dubbeldam2012MIL-101/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2025-09-08T04:10:20,801 copying ./forcefield/Dubbeldam2012MIL-101/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2025-09-08T04:10:20,801 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2025-09-08T04:10:20,801 copying ./forcefield/Dzubak2012-IRMOF-1/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2025-09-08T04:10:20,802 copying ./forcefield/Dzubak2012-IRMOF-1/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2025-09-08T04:10:20,803 copying ./forcefield/Dzubak2012-IRMOF-1/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2025-09-08T04:10:20,803 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2025-09-08T04:10:20,803 copying ./forcefield/Dzubak2012-MgMOF-74/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2025-09-08T04:10:20,804 copying ./forcefield/Dzubak2012-MgMOF-74/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2025-09-08T04:10:20,804 copying ./forcefield/Dzubak2012-MgMOF-74/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2025-09-08T04:10:20,805 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2025-09-08T04:10:20,805 copying ./forcefield/Dzubak2012-MgMOF-74-extended/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2025-09-08T04:10:20,806 copying ./forcefield/Dzubak2012-MgMOF-74-extended/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2025-09-08T04:10:20,806 copying ./forcefield/Dzubak2012-MgMOF-74-extended/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2025-09-08T04:10:20,807 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2025-09-08T04:10:20,807 copying ./forcefield/Dzubak2012-ZnMOF-74/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2025-09-08T04:10:20,807 copying ./forcefield/Dzubak2012-ZnMOF-74/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2025-09-08T04:10:20,808 copying ./forcefield/Dzubak2012-ZnMOF-74/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2025-09-08T04:10:20,808 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GarciaPerez2006 2025-09-08T04:10:20,809 copying ./forcefield/GarciaPerez2006/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GarciaPerez2006 2025-09-08T04:10:20,809 copying ./forcefield/GarciaPerez2006/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GarciaPerez2006 2025-09-08T04:10:20,810 copying ./forcefield/GarciaPerez2006/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GarciaPerez2006 2025-09-08T04:10:20,810 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GenericMOFs 2025-09-08T04:10:20,811 copying ./forcefield/GenericMOFs/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GenericMOFs 2025-09-08T04:10:20,811 copying ./forcefield/GenericMOFs/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GenericMOFs 2025-09-08T04:10:20,812 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GenericZeolites 2025-09-08T04:10:20,812 copying ./forcefield/GenericZeolites/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GenericZeolites 2025-09-08T04:10:20,812 copying ./forcefield/GenericZeolites/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GenericZeolites 2025-09-08T04:10:20,813 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2025-09-08T04:10:20,813 copying ./forcefield/MgMOF-74-Yazaydin/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2025-09-08T04:10:20,814 copying ./forcefield/MgMOF-74-Yazaydin/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2025-09-08T04:10:20,814 copying ./forcefield/MgMOF-74-Yazaydin/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2025-09-08T04:10:20,815 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Nicholas 2025-09-08T04:10:20,815 copying ./forcefield/Nicholas/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Nicholas 2025-09-08T04:10:20,816 copying ./forcefield/Nicholas/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Nicholas 2025-09-08T04:10:20,816 copying ./forcefield/Nicholas/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Nicholas 2025-09-08T04:10:20,817 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Pascual2004 2025-09-08T04:10:20,817 copying ./forcefield/Pascual2004/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Pascual2004 2025-09-08T04:10:20,817 copying ./forcefield/Pascual2004/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Pascual2004 2025-09-08T04:10:20,818 copying ./forcefield/Pascual2004/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Pascual2004 2025-09-08T04:10:20,818 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2025-09-08T04:10:20,819 copying ./forcefield/RigidIonKramer1991/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2025-09-08T04:10:20,819 copying ./forcefield/RigidIonKramer1991/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2025-09-08T04:10:20,820 copying ./forcefield/RigidIonKramer1991/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2025-09-08T04:10:20,820 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/TraPPE 2025-09-08T04:10:20,820 copying ./forcefield/TraPPE/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/TraPPE 2025-09-08T04:10:20,821 copying ./forcefield/TraPPE/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/TraPPE 2025-09-08T04:10:20,821 copying ./forcefield/TraPPE/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/TraPPE 2025-09-08T04:10:20,822 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/AmirjalayerSchmid 2025-09-08T04:10:20,822 copying ./framework/AmirjalayerSchmid/framework.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/AmirjalayerSchmid 2025-09-08T04:10:20,823 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/CoreShellCatlow 2025-09-08T04:10:20,823 copying ./framework/CoreShellCatlow/framework.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/CoreShellCatlow 2025-09-08T04:10:20,824 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/CoreShellSastreGale2005 2025-09-08T04:10:20,824 copying ./framework/CoreShellSastreGale2005/framework.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/CoreShellSastreGale2005 2025-09-08T04:10:20,824 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/CoreShellSchroderSauer 2025-09-08T04:10:20,825 copying ./framework/CoreShellSchroderSauer/framework.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/CoreShellSchroderSauer 2025-09-08T04:10:20,825 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Demontis 2025-09-08T04:10:20,825 copying ./framework/Demontis/framework.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Demontis 2025-09-08T04:10:20,826 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/DemontisModified 2025-09-08T04:10:20,826 copying ./framework/DemontisModified/framework.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/DemontisModified 2025-09-08T04:10:20,826 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-1 2025-09-08T04:10:20,827 copying ./framework/Dubbeldam2007FlexibleIRMOF-1/framework.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-1 2025-09-08T04:10:20,827 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-10 2025-09-08T04:10:20,828 copying ./framework/Dubbeldam2007FlexibleIRMOF-10/framework.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-10 2025-09-08T04:10:20,828 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-16 2025-09-08T04:10:20,828 copying ./framework/Dubbeldam2007FlexibleIRMOF-16/framework.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-16 2025-09-08T04:10:20,829 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Nicholas 2025-09-08T04:10:20,829 copying ./framework/Nicholas/framework.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Nicholas 2025-09-08T04:10:20,829 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/NicholasModified 2025-09-08T04:10:20,830 copying ./framework/NicholasModified/framework.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/NicholasModified 2025-09-08T04:10:20,830 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2025-09-08T04:10:20,831 copying ./molecules/CastilloVlugtCalero2009/benzene.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2025-09-08T04:10:20,831 copying ./molecules/CastilloVlugtCalero2009/m-xylene.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2025-09-08T04:10:20,832 copying ./molecules/CastilloVlugtCalero2009/o-xylene.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2025-09-08T04:10:20,832 copying ./molecules/CastilloVlugtCalero2009/p-xylene.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2025-09-08T04:10:20,833 copying ./molecules/CastilloVlugtCalero2009/toluene.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2025-09-08T04:10:20,833 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/EPM2 2025-09-08T04:10:20,834 copying ./molecules/EPM2/CO2.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/EPM2 2025-09-08T04:10:20,834 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,834 copying ./molecules/TraPPE/1-butene.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,835 copying ./molecules/TraPPE/2-cis-butene.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,835 copying ./molecules/TraPPE/2-ethyl-2-hexenal-cis.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,836 copying ./molecules/TraPPE/2-ethyl-2-hexenal-trans.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,836 copying ./molecules/TraPPE/2-methylbutane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,837 copying ./molecules/TraPPE/2-methylheptane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,837 copying ./molecules/TraPPE/2-methylhexane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,838 copying ./molecules/TraPPE/2-methylpentane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,838 copying ./molecules/TraPPE/2-trans-butene.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,839 copying ./molecules/TraPPE/22-dimethylbutane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,839 copying ./molecules/TraPPE/22-dimethylhexane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,840 copying ./molecules/TraPPE/22-dimethylpentane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,840 copying ./molecules/TraPPE/223-trimethylbutane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,841 copying ./molecules/TraPPE/224-trimethylpentane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,842 copying ./molecules/TraPPE/22dmC8.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,842 copying ./molecules/TraPPE/23-dimethylbutane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,843 copying ./molecules/TraPPE/23-dimethylhexane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,843 copying ./molecules/TraPPE/23-dimethylpentane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,844 copying ./molecules/TraPPE/24-dimethylhexane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,844 copying ./molecules/TraPPE/24-dimethylpentane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,845 copying ./molecules/TraPPE/24dmC8.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,845 copying ./molecules/TraPPE/25-dimethylhexane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,846 copying ./molecules/TraPPE/27dmC8.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,846 copying ./molecules/TraPPE/2mC9.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,847 copying ./molecules/TraPPE/3-methylheptane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,847 copying ./molecules/TraPPE/3-methylhexane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,848 copying ./molecules/TraPPE/3-methylpentane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,848 copying ./molecules/TraPPE/33-dimethylhexane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,849 copying ./molecules/TraPPE/33-dimethylpentane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,849 copying ./molecules/TraPPE/3mC9.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,850 copying ./molecules/TraPPE/4-methylheptane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,850 copying ./molecules/TraPPE/44methylethyloctane_L.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,851 copying ./molecules/TraPPE/44methylethyloctane_R.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,852 copying ./molecules/TraPPE/4mC9.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,852 copying ./molecules/TraPPE/AsH3.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,853 copying ./molecules/TraPPE/BDC.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,853 copying ./molecules/TraPPE/C1.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,854 copying ./molecules/TraPPE/C10.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,854 copying ./molecules/TraPPE/C11.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,855 copying ./molecules/TraPPE/C12.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,855 copying ./molecules/TraPPE/C13.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,856 copying ./molecules/TraPPE/C14.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,856 copying ./molecules/TraPPE/C15.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,857 copying ./molecules/TraPPE/C16.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,857 copying ./molecules/TraPPE/C17.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,858 copying ./molecules/TraPPE/C18.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,858 copying ./molecules/TraPPE/C19.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,859 copying ./molecules/TraPPE/C2.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,859 copying ./molecules/TraPPE/C20.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,860 copying ./molecules/TraPPE/C21.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,860 copying ./molecules/TraPPE/C22.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,861 copying ./molecules/TraPPE/C23.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,861 copying ./molecules/TraPPE/C24.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,862 copying ./molecules/TraPPE/C25.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,862 copying ./molecules/TraPPE/C26.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,863 copying ./molecules/TraPPE/C27.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,863 copying ./molecules/TraPPE/C28.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,864 copying ./molecules/TraPPE/C2H2.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,864 copying ./molecules/TraPPE/C3.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,865 copying ./molecules/TraPPE/C4.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,865 copying ./molecules/TraPPE/C5.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,866 copying ./molecules/TraPPE/C6.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,866 copying ./molecules/TraPPE/C7.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,867 copying ./molecules/TraPPE/C8.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,867 copying ./molecules/TraPPE/C9.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,868 copying ./molecules/TraPPE/CO2.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,868 copying ./molecules/TraPPE/Cl.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,869 copying ./molecules/TraPPE/H2.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,869 copying ./molecules/TraPPE/H2S.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,870 copying ./molecules/TraPPE/IonN.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,870 copying ./molecules/TraPPE/IonP.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,871 copying ./molecules/TraPPE/LJ1.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,872 copying ./molecules/TraPPE/LJ2.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,872 copying ./molecules/TraPPE/N2.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,873 copying ./molecules/TraPPE/Na.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,873 copying ./molecules/TraPPE/NaCl.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,874 copying ./molecules/TraPPE/O2.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,874 copying ./molecules/TraPPE/PH3.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,875 copying ./molecules/TraPPE/argon.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,875 copying ./molecules/TraPPE/benzene.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,876 copying ./molecules/TraPPE/butane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,876 copying ./molecules/TraPPE/calcium.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,877 copying ./molecules/TraPPE/chloride.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,877 copying ./molecules/TraPPE/chromene_R_flexible.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,878 copying ./molecules/TraPPE/decane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,878 copying ./molecules/TraPPE/dimethylpropane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,879 copying ./molecules/TraPPE/dodecane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,879 copying ./molecules/TraPPE/ethane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,880 copying ./molecules/TraPPE/ethanol.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,880 copying ./molecules/TraPPE/ethene.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,881 copying ./molecules/TraPPE/formaldehyde.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,881 copying ./molecules/TraPPE/helium.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,882 copying ./molecules/TraPPE/heptane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,882 copying ./molecules/TraPPE/hexadecane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,883 copying ./molecules/TraPPE/hexane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,883 copying ./molecules/TraPPE/hydrogen.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,884 copying ./molecules/TraPPE/isobutane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,884 copying ./molecules/TraPPE/isooctane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,885 copying ./molecules/TraPPE/kalium.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,885 copying ./molecules/TraPPE/krypton.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,886 copying ./molecules/TraPPE/methane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,886 copying ./molecules/TraPPE/methanol.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,887 copying ./molecules/TraPPE/neopentane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,887 copying ./molecules/TraPPE/nonane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,888 copying ./molecules/TraPPE/none.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,888 copying ./molecules/TraPPE/octane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,889 copying ./molecules/TraPPE/pentane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,889 copying ./molecules/TraPPE/propane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,890 copying ./molecules/TraPPE/propene.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,890 copying ./molecules/TraPPE/sodium.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,891 copying ./molecules/TraPPE/undecane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,892 copying ./molecules/TraPPE/water.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,892 copying ./molecules/TraPPE/xenon.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T04:10:20,893 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-EH 2025-09-08T04:10:20,893 copying ./molecules/TraPPE-EH/methane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-EH 2025-09-08T04:10:20,893 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-08T04:10:20,894 copying ./molecules/TraPPE-UA/2-methylbutane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-08T04:10:20,894 copying ./molecules/TraPPE-UA/2-methylpentane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-08T04:10:20,895 copying ./molecules/TraPPE-UA/CO2.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-08T04:10:20,895 copying ./molecules/TraPPE-UA/butane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-08T04:10:20,896 copying ./molecules/TraPPE-UA/dimethylpropane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-08T04:10:20,896 copying ./molecules/TraPPE-UA/ethane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-08T04:10:20,897 copying ./molecules/TraPPE-UA/heptane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-08T04:10:20,897 copying ./molecules/TraPPE-UA/isobutane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-08T04:10:20,898 copying ./molecules/TraPPE-UA/methane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-08T04:10:20,898 copying ./molecules/TraPPE-UA/pentane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-08T04:10:20,899 copying ./molecules/TraPPE-UA/propane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-08T04:10:20,899 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T04:10:20,900 copying ./structures/block/ATS.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T04:10:20,900 copying ./structures/block/BOG_SI.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T04:10:20,901 copying ./structures/block/CHA_SI.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T04:10:20,901 copying ./structures/block/DDR.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T04:10:20,902 copying ./structures/block/DDR_ortho.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T04:10:20,902 copying ./structures/block/ERI_SI.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T04:10:20,903 copying ./structures/block/FAU.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T04:10:20,903 copying ./structures/block/FER.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T04:10:20,904 copying ./structures/block/GME.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T04:10:20,904 copying ./structures/block/ITQ-12.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T04:10:20,905 copying ./structures/block/ITQ-29.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T04:10:20,905 copying ./structures/block/ITQ-3.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T04:10:20,906 copying ./structures/block/LTA_SI.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T04:10:20,906 copying ./structures/block/LTL_SI.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T04:10:20,907 copying ./structures/block/MFI_Olson.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T04:10:20,907 copying ./structures/block/MFI_SI.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T04:10:20,908 copying ./structures/block/MFI_mono.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T04:10:20,908 copying ./structures/block/MOR_SI.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T04:10:20,909 copying ./structures/block/MTW.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T04:10:20,909 copying ./structures/block/TON.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T04:10:20,910 copying ./structures/block/test.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T04:10:20,910 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,911 copying ./structures/cif/AEL.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,911 copying ./structures/cif/AFI_SI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,912 copying ./structures/cif/AFX_SI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,912 copying ./structures/cif/ATS.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,913 copying ./structures/cif/AlPO-17.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,913 copying ./structures/cif/AlPO-5.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,914 copying ./structures/cif/BEA.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,914 copying ./structures/cif/BOG_SI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,915 copying ./structures/cif/CAN-12.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,915 copying ./structures/cif/CFI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,916 copying ./structures/cif/CHA_SI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,916 copying ./structures/cif/CHA_SI_mono.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,917 copying ./structures/cif/COF-1.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,917 copying ./structures/cif/COF-102.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,918 copying ./structures/cif/COF-103.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,918 copying ./structures/cif/COF-105.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,919 copying ./structures/cif/COF-108.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,919 copying ./structures/cif/COF-202.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,920 copying ./structures/cif/COF-300.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,920 copying ./structures/cif/COF-5.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,921 copying ./structures/cif/CON.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,922 copying ./structures/cif/Cd3BTB2.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,922 copying ./structures/cif/Co(2,6-NDP).cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,923 copying ./structures/cif/Co-DOBDC.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,923 copying ./structures/cif/CoBDP-Dubbeldam.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,924 copying ./structures/cif/CoBDP.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,925 copying ./structures/cif/Cu-BTC.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,925 copying ./structures/cif/DDR.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,926 copying ./structures/cif/DON.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,926 copying ./structures/cif/EMT.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,927 copying ./structures/cif/ERI_SI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,927 copying ./structures/cif/FAU_SI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,928 copying ./structures/cif/FER.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,928 copying ./structures/cif/GME.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,929 copying ./structures/cif/IRMOF-1-Ar.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,929 copying ./structures/cif/IRMOF-1.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,930 copying ./structures/cif/IRMOF-10.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,930 copying ./structures/cif/IRMOF-11.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,931 copying ./structures/cif/IRMOF-12.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,932 copying ./structures/cif/IRMOF-13.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,933 copying ./structures/cif/IRMOF-14.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,933 copying ./structures/cif/IRMOF-15.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,934 copying ./structures/cif/IRMOF-16.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,935 copying ./structures/cif/IRMOF-2.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,935 copying ./structures/cif/IRMOF-3.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,936 copying ./structures/cif/IRMOF-4.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,937 copying ./structures/cif/IRMOF-5.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,937 copying ./structures/cif/IRMOF-6.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,938 copying ./structures/cif/IRMOF-7.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,939 copying ./structures/cif/IRMOF-8.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,939 copying ./structures/cif/IRMOF-9.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,940 copying ./structures/cif/ISV.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,940 copying ./structures/cif/ITQ-1.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,941 copying ./structures/cif/ITQ-12.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,942 copying ./structures/cif/ITQ-29.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,942 copying ./structures/cif/ITQ-3.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,943 copying ./structures/cif/ITQ-7.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,943 copying ./structures/cif/KFI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,944 copying ./structures/cif/LAU.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,944 copying ./structures/cif/LEV.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,945 copying ./structures/cif/LTA4A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,945 copying ./structures/cif/LTA5A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,946 copying ./structures/cif/LTA_SI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,946 copying ./structures/cif/LTL_SI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,947 copying ./structures/cif/MAF-X8.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,947 copying ./structures/cif/MAZ.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,948 copying ./structures/cif/MEI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,948 copying ./structures/cif/MEL.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,949 copying ./structures/cif/MFI_SI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,950 copying ./structures/cif/MFI_SI_Olson.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,950 copying ./structures/cif/MFI_SI_mono.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,951 copying ./structures/cif/MFI_para.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,951 copying ./structures/cif/MFS.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,952 copying ./structures/cif/MIL-100-primitive.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,953 copying ./structures/cif/MIL-100.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,956 copying ./structures/cif/MIL-101-primitive.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,957 copying ./structures/cif/MIL-101.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,961 copying ./structures/cif/MIL-140A-DFT.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,962 copying ./structures/cif/MIL-140B-DFT.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,962 copying ./structures/cif/MIL-140C-DFT.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,963 copying ./structures/cif/MIL-140D-DFT.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,963 copying ./structures/cif/MIL-47.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,964 copying ./structures/cif/MIL-53(Cr)ht.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,965 copying ./structures/cif/MIL-53(Cr)lt.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,965 copying ./structures/cif/MIL-88A-dry.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,966 copying ./structures/cif/MIL-88A-open.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,966 copying ./structures/cif/MIL-88B-dry.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,967 copying ./structures/cif/MIL-88B-open.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,967 copying ./structures/cif/MIL-88C-dry.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,968 copying ./structures/cif/MIL-88C-open.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,968 copying ./structures/cif/MIL-88D-dry.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,969 copying ./structures/cif/MIL-88D-open.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,969 copying ./structures/cif/MOF-1-Dybtsev-dmol.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,970 copying ./structures/cif/MOF-177.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,970 copying ./structures/cif/MOF-177_ortho.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,972 copying ./structures/cif/MOF-200.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,972 copying ./structures/cif/MOF-205.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,973 copying ./structures/cif/MOF-210-primitive.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,974 copying ./structures/cif/MOF-210.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,974 copying ./structures/cif/MOF-69c.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,975 copying ./structures/cif/MOF-70.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,975 copying ./structures/cif/MOF-72.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,976 copying ./structures/cif/MOR_SI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,976 copying ./structures/cif/MTW_SI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,977 copying ./structures/cif/Mg-DOBDC.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,978 copying ./structures/cif/MgMOF-74-VASP.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,978 copying ./structures/cif/MgMOF-74-extended-VASP.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,979 copying ./structures/cif/MgMOF-74.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,979 copying ./structures/cif/NU-100SP-primitive.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,980 copying ./structures/cif/NU-100SP.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,981 copying ./structures/cif/NU-108-Cu-primitive.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,982 copying ./structures/cif/NU-108-Cu.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,982 copying ./structures/cif/NU-108-Zn.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,983 copying ./structures/cif/NaX.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,984 copying ./structures/cif/Ni-DOBDC.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,984 copying ./structures/cif/OFF.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,985 copying ./structures/cif/PAU.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,985 copying ./structures/cif/PCN-60.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,986 copying ./structures/cif/PCN-61.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,986 copying ./structures/cif/PCN-68-primitive.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,987 copying ./structures/cif/PCN-68.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,988 copying ./structures/cif/RHO.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,988 copying ./structures/cif/SAPO-47.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,989 copying ./structures/cif/SAPO-56.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,989 copying ./structures/cif/SFF.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,990 copying ./structures/cif/SOD.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,990 copying ./structures/cif/STF.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,991 copying ./structures/cif/SWNT-1-14.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,991 copying ./structures/cif/SWNT-1-23.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,992 copying ./structures/cif/SWNT-10-11.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,993 copying ./structures/cif/SWNT-10-13.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,994 copying ./structures/cif/SWNT-11-18.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,995 copying ./structures/cif/SWNT-3-11.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,996 copying ./structures/cif/SWNT-3-20.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,997 copying ./structures/cif/SWNT-3-9.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,998 copying ./structures/cif/SWNT-4-14.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,998 copying ./structures/cif/TON.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,999 copying ./structures/cif/UIO-66.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:20,999 copying ./structures/cif/UMCM-1.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,000 copying ./structures/cif/VFI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,001 copying ./structures/cif/ZIF-1.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,001 copying ./structures/cif/ZIF-10.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,002 copying ./structures/cif/ZIF-11.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,003 copying ./structures/cif/ZIF-12.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,003 copying ./structures/cif/ZIF-2.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,004 copying ./structures/cif/ZIF-20.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,006 copying ./structures/cif/ZIF-3.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,006 copying ./structures/cif/ZIF-4.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,007 copying ./structures/cif/ZIF-5.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,007 copying ./structures/cif/ZIF-6.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,008 copying ./structures/cif/ZIF-68.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,008 copying ./structures/cif/ZIF-69-crystal.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,009 copying ./structures/cif/ZIF-69.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,010 copying ./structures/cif/ZIF-7.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,010 copying ./structures/cif/ZIF-71.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,011 copying ./structures/cif/ZIF-77.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,011 copying ./structures/cif/ZIF-8.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,012 copying ./structures/cif/ZIF-80.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,012 copying ./structures/cif/ZIF-9.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,013 copying ./structures/cif/ZIF-90.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,014 copying ./structures/cif/ZIF-93.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,014 copying ./structures/cif/ZIF-96.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,015 copying ./structures/cif/ZIF-97.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,015 copying ./structures/cif/Zn-DOBDC.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,016 copying ./structures/cif/ZnBDC.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,016 copying ./structures/cif/ZnBDCdabco.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,017 copying ./structures/cif/ZnHBDC.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,017 copying ./structures/cif/ZnMOF-74-VASP.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,018 copying ./structures/cif/ZnMOF-74.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,018 copying ./structures/cif/Zr-TPDC.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,019 copying ./structures/cif/alpha-quartz.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,020 copying ./structures/cif/coesite.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,020 copying ./structures/cif/graphite-sheet-10.25A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,021 copying ./structures/cif/graphite-sheet-10.65A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,022 copying ./structures/cif/graphite-sheet-11.0A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,023 copying ./structures/cif/graphite-sheet-11.36A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,024 copying ./structures/cif/graphite-sheet-12.0A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,025 copying ./structures/cif/graphite-sheet-12.78A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,025 copying ./structures/cif/graphite-sheet-13.25A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,026 copying ./structures/cif/graphite-sheet-13.75A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,027 copying ./structures/cif/graphite-sheet-14.2A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,028 copying ./structures/cif/graphite-sheet-15.0A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,029 copying ./structures/cif/graphite-sheet-15.62A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,030 copying ./structures/cif/graphite-sheet-17.04A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,031 copying ./structures/cif/graphite-sheet-18.46A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,032 copying ./structures/cif/graphite-sheet-19.88A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,033 copying ./structures/cif/graphite-sheet-8.52A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,034 copying ./structures/cif/graphite-sheet-9.0A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,035 copying ./structures/cif/graphite-sheet-9.5A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,036 copying ./structures/cif/graphite-sheet-9.94A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,036 copying ./structures/cif/graphite-square-channel-11.36A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,038 copying ./structures/cif/graphite-square-channel-12.78A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,039 copying ./structures/cif/graphite-square-channel-14.2A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,040 copying ./structures/cif/graphite-square-channel-15.62A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,042 copying ./structures/cif/graphite-square-channel-17.04A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,044 copying ./structures/cif/graphite-square-channel-18.46A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,045 copying ./structures/cif/graphite-square-channel-19.88A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,047 copying ./structures/cif/graphite-square-channel-8.52A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,048 copying ./structures/cif/graphite-square-channel-9.94A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,049 copying ./structures/cif/graphite.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,050 copying ./structures/cif/graphite_ortho.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,050 copying ./structures/cif/quartz.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T04:10:21,051 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/ions 2025-09-08T04:10:21,051 copying ./structures/ions/IRMOF-1-Ar.ions -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/ions 2025-09-08T04:10:21,053 running build_ext 2025-09-08T04:10:21,418 building 'RASPA2.simulations.lib.libraspa2' extension 2025-09-08T04:10:21,426 creating build/temp.linux-armv7l-cpython-313/src 2025-09-08T04:10:21,430 arm-linux-gnueabihf-gcc -fno-strict-overflow -Wsign-compare -DNDEBUG -g -O2 -Wall -fPIC -Isrc -I/usr/include/python3.13 -c src/cbmc.c -o build/temp.linux-armv7l-cpython-313/src/cbmc.o 2025-09-08T04:10:21,704 src/cbmc.c: In function ‘GrowReservoirMolecule’: 2025-09-08T04:10:21,707 src/cbmc.c:3184:7: warning: unused variable ‘StartingBead’ [-Wunused-variable] 2025-09-08T04:10:21,707 3184 | int StartingBead; 2025-09-08T04:10:21,707 | ^~~~~~~~~~~~ 2025-09-08T04:10:21,711 src/cbmc.c:3182:8: warning: unused variable ‘PreFactor’ [-Wunused-variable] 2025-09-08T04:10:21,711 3182 | REAL PreFactor; 2025-09-08T04:10:21,711 | ^~~~~~~~~ 2025-09-08T04:10:21,715 src/cbmc.c: In function ‘GrowReservoirMolecules’: 2025-09-08T04:10:21,718 src/cbmc.c:3285:7: warning: unused variable ‘StartingBead’ [-Wunused-variable] 2025-09-08T04:10:21,718 3285 | int StartingBead,mol_index; 2025-09-08T04:10:21,718 | ^~~~~~~~~~~~ 2025-09-08T04:10:21,722 src/cbmc.c:3283:8: warning: unused variable ‘PreFactor’ [-Wunused-variable] 2025-09-08T04:10:21,722 3283 | REAL PreFactor; 2025-09-08T04:10:21,722 | ^~~~~~~~~ 2025-09-08T04:10:21,726 src/cbmc.c: In function ‘GrowReservoirMolecules2’: 2025-09-08T04:10:21,729 src/cbmc.c:3395:7: warning: unused variable ‘StartingBead’ [-Wunused-variable] 2025-09-08T04:10:21,729 3395 | int StartingBead,mol_index; 2025-09-08T04:10:21,729 | ^~~~~~~~~~~~ 2025-09-08T04:10:21,733 src/cbmc.c:3393:8: warning: unused variable ‘PreFactor’ [-Wunused-variable] 2025-09-08T04:10:21,733 3393 | REAL PreFactor; 2025-09-08T04:10:21,733 | ^~~~~~~~~ 2025-09-08T04:10:21,876 src/cbmc.c: At top level: 2025-09-08T04:10:21,877 src/cbmc.c:326:13: warning: ‘EnergyCationPermanentDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2025-09-08T04:10:21,877 326 | static REAL EnergyCationPermanentDipolePermanentDipoleFirstBead; 2025-09-08T04:10:21,877 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:10:21,877 src/cbmc.c:325:13: warning: ‘EnergyAdsorbatePermanentDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2025-09-08T04:10:21,877 325 | static REAL EnergyAdsorbatePermanentDipolePermanentDipoleFirstBead; 2025-09-08T04:10:21,877 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:10:21,878 src/cbmc.c:324:13: warning: ‘EnergyHostPermanentDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2025-09-08T04:10:21,878 324 | static REAL EnergyHostPermanentDipolePermanentDipoleFirstBead; 2025-09-08T04:10:21,878 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:10:21,878 src/cbmc.c:323:13: warning: ‘EnergyCationBondDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2025-09-08T04:10:21,878 323 | static REAL EnergyCationBondDipolePermanentDipoleFirstBead; 2025-09-08T04:10:21,878 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:10:21,878 src/cbmc.c:322:13: warning: ‘EnergyAdsorbateBondDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2025-09-08T04:10:21,878 322 | static REAL EnergyAdsorbateBondDipolePermanentDipoleFirstBead; 2025-09-08T04:10:21,879 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:10:21,879 src/cbmc.c:321:13: warning: ‘EnergyHostBondDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2025-09-08T04:10:21,879 321 | static REAL EnergyHostBondDipolePermanentDipoleFirstBead; 2025-09-08T04:10:21,879 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:10:21,879 src/cbmc.c:317:13: warning: ‘EnergyCationChargePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2025-09-08T04:10:21,879 317 | static REAL EnergyCationChargePermanentDipoleFirstBead; 2025-09-08T04:10:21,879 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:10:21,879 src/cbmc.c:316:13: warning: ‘EnergyAdsorbateChargePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2025-09-08T04:10:21,879 316 | static REAL EnergyAdsorbateChargePermanentDipoleFirstBead; 2025-09-08T04:10:21,880 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:10:21,880 src/cbmc.c:315:13: warning: ‘EnergyHostChargePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2025-09-08T04:10:21,880 315 | static REAL EnergyHostChargePermanentDipoleFirstBead; 2025-09-08T04:10:21,880 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:10:21,880 src/cbmc.c:187:13: warning: ‘IntraPermanentDipoles’ defined but not used [-Wunused-variable] 2025-09-08T04:10:21,880 187 | static int *IntraPermanentDipoles; 2025-09-08T04:10:21,880 | ^~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:10:21,881 src/cbmc.c:186:12: warning: ‘NumberOfIntraPermanentDipoles’ defined but not used [-Wunused-variable] 2025-09-08T04:10:21,881 186 | static int NumberOfIntraPermanentDipoles; 2025-09-08T04:10:21,881 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:10:30,593 arm-linux-gnueabihf-gcc -fno-strict-overflow -Wsign-compare -DNDEBUG -g -O2 -Wall -fPIC -Isrc -I/usr/include/python3.13 -c src/charge_equilibration.c -o build/temp.linux-armv7l-cpython-313/src/charge_equilibration.o 2025-09-08T04:10:30,780 src/charge_equilibration.c: In function ‘SolveMatrix’: 2025-09-08T04:10:30,780 src/charge_equilibration.c:634:8: warning: variable ‘aii’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:30,781 634 | REAL aii,alpha,f,ak; 2025-09-08T04:10:30,781 | ^~~ 2025-09-08T04:10:32,021 arm-linux-gnueabihf-gcc -fno-strict-overflow -Wsign-compare -DNDEBUG -g -O2 -Wall -fPIC -Isrc -I/usr/include/python3.13 -c src/complex.c -o build/temp.linux-armv7l-cpython-313/src/complex.o 2025-09-08T04:10:32,305 arm-linux-gnueabihf-gcc -fno-strict-overflow -Wsign-compare -DNDEBUG -g -O2 -Wall -fPIC -Isrc -I/usr/include/python3.13 -c src/constants.c -o build/temp.linux-armv7l-cpython-313/src/constants.o 2025-09-08T04:10:32,673 arm-linux-gnueabihf-gcc -fno-strict-overflow -Wsign-compare -DNDEBUG -g -O2 -Wall -fPIC -Isrc -I/usr/include/python3.13 -c src/cubic_spline_1d.c -o build/temp.linux-armv7l-cpython-313/src/cubic_spline_1d.o 2025-09-08T04:10:32,812 src/cubic_spline_1d.c: In function ‘Trapezoidal’: 2025-09-08T04:10:32,813 src/cubic_spline_1d.c:157:18: warning: variable ‘tmp3’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:32,813 157 | REAL tmp1,tmp2,tmp3; 2025-09-08T04:10:32,813 | ^~~~ 2025-09-08T04:10:32,813 src/cubic_spline_1d.c:157:13: warning: variable ‘tmp2’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:32,813 157 | REAL tmp1,tmp2,tmp3; 2025-09-08T04:10:32,813 | ^~~~ 2025-09-08T04:10:32,816 src/cubic_spline_1d.c: In function ‘TrapezoidalWeight’: 2025-09-08T04:10:32,817 src/cubic_spline_1d.c:236:18: warning: variable ‘tmp3’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:32,817 236 | REAL tmp1,tmp2,tmp3; 2025-09-08T04:10:32,817 | ^~~~ 2025-09-08T04:10:32,817 src/cubic_spline_1d.c:236:13: warning: variable ‘tmp2’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:32,817 236 | REAL tmp1,tmp2,tmp3; 2025-09-08T04:10:32,817 | ^~~~ 2025-09-08T04:10:32,818 src/cubic_spline_1d.c:235:15: warning: variable ‘valueb’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:32,818 235 | REAL valuea,valueb; 2025-09-08T04:10:32,818 | ^~~~~~ 2025-09-08T04:10:32,818 src/cubic_spline_1d.c:235:8: warning: variable ‘valuea’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:32,818 235 | REAL valuea,valueb; 2025-09-08T04:10:32,818 | ^~~~~~ 2025-09-08T04:10:32,843 src/cubic_spline_1d.c: In function ‘CreateCubicFittingSpline’: 2025-09-08T04:10:32,844 src/cubic_spline_1d.c:891:7: warning: variable ‘error’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:32,844 891 | int error=7,i; 2025-09-08T04:10:32,844 | ^~~~~ 2025-09-08T04:10:34,843 arm-linux-gnueabihf-gcc -fno-strict-overflow -Wsign-compare -DNDEBUG -g -O2 -Wall -fPIC -Isrc -I/usr/include/python3.13 -c src/equations_of_state.c -o build/temp.linux-armv7l-cpython-313/src/equations_of_state.o 2025-09-08T04:10:36,086 arm-linux-gnueabihf-gcc -fno-strict-overflow -Wsign-compare -DNDEBUG -g -O2 -Wall -fPIC -Isrc -I/usr/include/python3.13 -c src/ewald.c -o build/temp.linux-armv7l-cpython-313/src/ewald.o 2025-09-08T04:10:36,280 src/ewald.c: In function ‘EwaldEnergyIon’: 2025-09-08T04:10:36,280 src/ewald.c:617:11: warning: variable ‘kvecs’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:36,280 617 | VECTOR *kvecs; 2025-09-08T04:10:36,281 | ^~~~~ 2025-09-08T04:10:36,298 src/ewald.c: In function ‘PrecomputeFixedEwaldContributions’: 2025-09-08T04:10:36,299 src/ewald.c:746:29: warning: variable ‘nr_of_coulombic_sites_framework’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:36,299 746 | int nr_of_coulombic_sites,nr_of_coulombic_sites_framework,nr_of_coulombic_sites_adsorbate,nr_of_coulombic_sites_cation; 2025-09-08T04:10:36,299 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:10:36,299 src/ewald.c:741:13: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:36,300 741 | REAL temp,alpha,charge; 2025-09-08T04:10:36,300 | ^~~~~ 2025-09-08T04:10:36,316 src/ewald.c: In function ‘PrecomputeTotalEwaldContributions’: 2025-09-08T04:10:36,318 src/ewald.c:1286:13: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:36,318 1286 | REAL temp,alpha,ksqr,recip_cutoff,charge; 2025-09-08T04:10:36,318 | ^~~~~ 2025-09-08T04:10:36,351 src/ewald.c: In function ‘EwaldFourierEnergy’: 2025-09-08T04:10:36,353 src/ewald.c:1780:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:36,353 1780 | REAL Bt0,Bt1,Bt2,cosA,cosB,cosAB,scaling,scalingA,scalingB; 2025-09-08T04:10:36,354 | ^~~ 2025-09-08T04:10:36,356 src/ewald.c:1758:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:36,356 1758 | int nvec,type_mol,type,typeA,typeB; 2025-09-08T04:10:36,356 | ^~~~~ 2025-09-08T04:10:36,358 src/ewald.c:1758:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:36,358 1758 | int nvec,type_mol,type,typeA,typeB; 2025-09-08T04:10:36,358 | ^~~~~ 2025-09-08T04:10:36,420 src/ewald.c: In function ‘EwaldFourierForce’: 2025-09-08T04:10:36,424 src/ewald.c:2813:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:36,424 2813 | int nvec,type_mol,type,typeA,typeB; 2025-09-08T04:10:36,424 | ^~~~~ 2025-09-08T04:10:36,428 src/ewald.c:2813:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:36,428 2813 | int nvec,type_mol,type,typeA,typeB; 2025-09-08T04:10:36,428 | ^~~~~ 2025-09-08T04:10:36,507 src/ewald.c: In function ‘EwaldFourierBornTerm’: 2025-09-08T04:10:36,513 src/ewald.c:4752:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:36,513 4752 | int nvec,type_mol,type,typeA,typeB; 2025-09-08T04:10:36,513 | ^~~~~ 2025-09-08T04:10:36,519 src/ewald.c:4752:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:36,519 4752 | int nvec,type_mol,type,typeA,typeB; 2025-09-08T04:10:36,519 | ^~~~~ 2025-09-08T04:10:36,556 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbate’: 2025-09-08T04:10:36,565 src/ewald.c:6853:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:36,565 6853 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2025-09-08T04:10:36,565 | ^~~ 2025-09-08T04:10:36,603 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbateRXMC’: 2025-09-08T04:10:36,613 src/ewald.c:7588:7: warning: unused variable ‘typeA’ [-Wunused-variable] 2025-09-08T04:10:36,613 7588 | int typeA; 2025-09-08T04:10:36,613 | ^~~~~ 2025-09-08T04:10:36,622 src/ewald.c:7582:7: warning: variable ‘considered_charged’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:36,622 7582 | int considered_charged; 2025-09-08T04:10:36,622 | ^~~~~~~~~~~~~~~~~~ 2025-09-08T04:10:36,632 src/ewald.c:7581:9: warning: unused variable ‘atom_pointer’ [-Wunused-variable] 2025-09-08T04:10:36,632 7581 | ATOM *atom_pointer; 2025-09-08T04:10:36,632 | ^~~~~~~~~~~~ 2025-09-08T04:10:36,641 src/ewald.c:7580:8: warning: unused variable ‘pair’ [-Wunused-variable] 2025-09-08T04:10:36,642 7580 | PAIR pair; 2025-09-08T04:10:36,642 | ^~~~ 2025-09-08T04:10:36,651 src/ewald.c:7577:28: warning: unused variable ‘posB2’ [-Wunused-variable] 2025-09-08T04:10:36,651 7577 | VECTOR posA1,posA2,posB1,posB2; 2025-09-08T04:10:36,651 | ^~~~~ 2025-09-08T04:10:36,661 src/ewald.c:7577:22: warning: unused variable ‘posB1’ [-Wunused-variable] 2025-09-08T04:10:36,661 7577 | VECTOR posA1,posA2,posB1,posB2; 2025-09-08T04:10:36,661 | ^~~~~ 2025-09-08T04:10:36,670 src/ewald.c:7577:16: warning: unused variable ‘posA2’ [-Wunused-variable] 2025-09-08T04:10:36,670 7577 | VECTOR posA1,posA2,posB1,posB2; 2025-09-08T04:10:36,670 | ^~~~~ 2025-09-08T04:10:36,680 src/ewald.c:7577:10: warning: unused variable ‘posA1’ [-Wunused-variable] 2025-09-08T04:10:36,680 7577 | VECTOR posA1,posA2,posB1,posB2; 2025-09-08T04:10:36,680 | ^~~~~ 2025-09-08T04:10:36,689 src/ewald.c:7576:25: warning: unused variable ‘dipoleB’ [-Wunused-variable] 2025-09-08T04:10:36,689 7576 | VECTOR dipole,dipoleA,dipoleB,rk; 2025-09-08T04:10:36,689 | ^~~~~~~ 2025-09-08T04:10:36,698 src/ewald.c:7576:17: warning: unused variable ‘dipoleA’ [-Wunused-variable] 2025-09-08T04:10:36,698 7576 | VECTOR dipole,dipoleA,dipoleB,rk; 2025-09-08T04:10:36,698 | ^~~~~~~ 2025-09-08T04:10:36,707 src/ewald.c:7568:32: warning: unused variable ‘Bt2’ [-Wunused-variable] 2025-09-08T04:10:36,707 7568 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2025-09-08T04:10:36,707 | ^~~ 2025-09-08T04:10:36,716 src/ewald.c:7568:28: warning: unused variable ‘Bt1’ [-Wunused-variable] 2025-09-08T04:10:36,716 7568 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2025-09-08T04:10:36,716 | ^~~ 2025-09-08T04:10:36,725 src/ewald.c:7568:18: warning: unused variable ‘cosAB’ [-Wunused-variable] 2025-09-08T04:10:36,725 7568 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2025-09-08T04:10:36,725 | ^~~~~ 2025-09-08T04:10:36,734 src/ewald.c:7568:13: warning: unused variable ‘cosB’ [-Wunused-variable] 2025-09-08T04:10:36,734 7568 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2025-09-08T04:10:36,735 | ^~~~ 2025-09-08T04:10:36,743 src/ewald.c:7568:8: warning: unused variable ‘cosA’ [-Wunused-variable] 2025-09-08T04:10:36,744 7568 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2025-09-08T04:10:36,744 | ^~~~ 2025-09-08T04:10:36,752 src/ewald.c:7567:25: warning: unused variable ‘scalingB’ [-Wunused-variable] 2025-09-08T04:10:36,753 7567 | REAL scaling,scalingA,scalingB; 2025-09-08T04:10:36,753 | ^~~~~~~~ 2025-09-08T04:10:36,762 src/ewald.c:7567:16: warning: unused variable ‘scalingA’ [-Wunused-variable] 2025-09-08T04:10:36,762 7567 | REAL scaling,scalingA,scalingB; 2025-09-08T04:10:36,762 | ^~~~~~~~ 2025-09-08T04:10:36,771 src/ewald.c:7567:8: warning: unused variable ‘scaling’ [-Wunused-variable] 2025-09-08T04:10:36,771 7567 | REAL scaling,scalingA,scalingB; 2025-09-08T04:10:36,771 | ^~~~~~~ 2025-09-08T04:10:36,780 src/ewald.c:7564:39: warning: unused variable ‘rr’ [-Wunused-variable] 2025-09-08T04:10:36,780 7564 | REAL alpha,chargeA,chargeB,charge,r,rr; 2025-09-08T04:10:36,780 | ^~ 2025-09-08T04:10:36,789 src/ewald.c:7564:30: warning: unused variable ‘charge’ [-Wunused-variable] 2025-09-08T04:10:36,789 7564 | REAL alpha,chargeA,chargeB,charge,r,rr; 2025-09-08T04:10:36,789 | ^~~~~~ 2025-09-08T04:10:36,798 src/ewald.c:7562:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:36,798 7562 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2025-09-08T04:10:36,798 | ^~~ 2025-09-08T04:10:36,807 src/ewald.c:7557:30: warning: unused variable ‘nr_of_bonddipoles’ [-Wunused-variable] 2025-09-08T04:10:36,807 7557 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2025-09-08T04:10:36,807 | ^~~~~~~~~~~~~~~~~ 2025-09-08T04:10:36,816 src/ewald.c:7557:16: warning: unused variable ‘nr_atoms’ [-Wunused-variable] 2025-09-08T04:10:36,816 7557 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2025-09-08T04:10:36,816 | ^~~~~~~~ 2025-09-08T04:10:36,825 src/ewald.c:7557:7: warning: unused variable ‘type_mol’ [-Wunused-variable] 2025-09-08T04:10:36,825 7557 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2025-09-08T04:10:36,825 | ^~~~~~~~ 2025-09-08T04:10:36,859 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbateRXMC2’: 2025-09-08T04:10:36,869 src/ewald.c:9160:8: warning: unused variable ‘scalingB_old’ [-Wunused-variable] 2025-09-08T04:10:36,869 9160 | REAL scalingB_old; 2025-09-08T04:10:36,870 | ^~~~~~~~~~~~ 2025-09-08T04:10:36,880 src/ewald.c:8464:20: warning: unused variable ‘chargeA_old’ [-Wunused-variable] 2025-09-08T04:10:36,880 8464 | REAL chargeA_new,chargeA_old; 2025-09-08T04:10:36,880 | ^~~~~~~~~~~ 2025-09-08T04:10:36,890 src/ewald.c:8463:21: warning: unused variable ‘scalingA_old’ [-Wunused-variable] 2025-09-08T04:10:36,890 8463 | REAL scalingA_new,scalingA_old; 2025-09-08T04:10:36,890 | ^~~~~~~~~~~~ 2025-09-08T04:10:36,900 src/ewald.c:8462:7: warning: unused variable ‘typeA’ [-Wunused-variable] 2025-09-08T04:10:36,900 8462 | int typeA; 2025-09-08T04:10:36,900 | ^~~~~ 2025-09-08T04:10:36,910 src/ewald.c:8460:7: warning: variable ‘RXMCMoleculeNumbers’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:36,911 8460 | int RXMCMoleculeNumbers[256]; 2025-09-08T04:10:36,911 | ^~~~~~~~~~~~~~~~~~~ 2025-09-08T04:10:36,921 src/ewald.c:8456:7: warning: unused variable ‘considered_charged’ [-Wunused-variable] 2025-09-08T04:10:36,921 8456 | int considered_charged; 2025-09-08T04:10:36,921 | ^~~~~~~~~~~~~~~~~~ 2025-09-08T04:10:36,931 src/ewald.c:8455:9: warning: unused variable ‘atom_pointer’ [-Wunused-variable] 2025-09-08T04:10:36,931 8455 | ATOM *atom_pointer; 2025-09-08T04:10:36,931 | ^~~~~~~~~~~~ 2025-09-08T04:10:36,942 src/ewald.c:8454:8: warning: unused variable ‘pair’ [-Wunused-variable] 2025-09-08T04:10:36,942 8454 | PAIR pair; 2025-09-08T04:10:36,942 | ^~~~ 2025-09-08T04:10:36,953 src/ewald.c:8451:28: warning: unused variable ‘posB2’ [-Wunused-variable] 2025-09-08T04:10:36,953 8451 | VECTOR posA1,posA2,posB1,posB2; 2025-09-08T04:10:36,953 | ^~~~~ 2025-09-08T04:10:36,963 src/ewald.c:8451:22: warning: unused variable ‘posB1’ [-Wunused-variable] 2025-09-08T04:10:36,963 8451 | VECTOR posA1,posA2,posB1,posB2; 2025-09-08T04:10:36,964 | ^~~~~ 2025-09-08T04:10:36,975 src/ewald.c:8451:16: warning: unused variable ‘posA2’ [-Wunused-variable] 2025-09-08T04:10:36,975 8451 | VECTOR posA1,posA2,posB1,posB2; 2025-09-08T04:10:36,975 | ^~~~~ 2025-09-08T04:10:36,985 src/ewald.c:8451:10: warning: unused variable ‘posA1’ [-Wunused-variable] 2025-09-08T04:10:36,985 8451 | VECTOR posA1,posA2,posB1,posB2; 2025-09-08T04:10:36,985 | ^~~~~ 2025-09-08T04:10:36,996 src/ewald.c:8450:25: warning: unused variable ‘dipoleB’ [-Wunused-variable] 2025-09-08T04:10:36,996 8450 | VECTOR dipole,dipoleA,dipoleB,rk; 2025-09-08T04:10:36,996 | ^~~~~~~ 2025-09-08T04:10:37,007 src/ewald.c:8450:17: warning: unused variable ‘dipoleA’ [-Wunused-variable] 2025-09-08T04:10:37,007 8450 | VECTOR dipole,dipoleA,dipoleB,rk; 2025-09-08T04:10:37,007 | ^~~~~~~ 2025-09-08T04:10:37,018 src/ewald.c:8442:32: warning: unused variable ‘Bt2’ [-Wunused-variable] 2025-09-08T04:10:37,018 8442 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2025-09-08T04:10:37,018 | ^~~ 2025-09-08T04:10:37,028 src/ewald.c:8442:28: warning: unused variable ‘Bt1’ [-Wunused-variable] 2025-09-08T04:10:37,029 8442 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2025-09-08T04:10:37,029 | ^~~ 2025-09-08T04:10:37,039 src/ewald.c:8442:18: warning: unused variable ‘cosAB’ [-Wunused-variable] 2025-09-08T04:10:37,039 8442 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2025-09-08T04:10:37,039 | ^~~~~ 2025-09-08T04:10:37,050 src/ewald.c:8442:13: warning: unused variable ‘cosB’ [-Wunused-variable] 2025-09-08T04:10:37,050 8442 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2025-09-08T04:10:37,050 | ^~~~ 2025-09-08T04:10:37,062 src/ewald.c:8442:8: warning: unused variable ‘cosA’ [-Wunused-variable] 2025-09-08T04:10:37,062 8442 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2025-09-08T04:10:37,062 | ^~~~ 2025-09-08T04:10:37,072 src/ewald.c:8441:25: warning: unused variable ‘scalingB’ [-Wunused-variable] 2025-09-08T04:10:37,072 8441 | REAL scaling,scalingA,scalingB; 2025-09-08T04:10:37,072 | ^~~~~~~~ 2025-09-08T04:10:37,082 src/ewald.c:8441:16: warning: unused variable ‘scalingA’ [-Wunused-variable] 2025-09-08T04:10:37,083 8441 | REAL scaling,scalingA,scalingB; 2025-09-08T04:10:37,083 | ^~~~~~~~ 2025-09-08T04:10:37,093 src/ewald.c:8441:8: warning: unused variable ‘scaling’ [-Wunused-variable] 2025-09-08T04:10:37,093 8441 | REAL scaling,scalingA,scalingB; 2025-09-08T04:10:37,093 | ^~~~~~~ 2025-09-08T04:10:37,103 src/ewald.c:8438:39: warning: unused variable ‘rr’ [-Wunused-variable] 2025-09-08T04:10:37,103 8438 | REAL alpha,chargeA,chargeB,charge,r,rr; 2025-09-08T04:10:37,104 | ^~ 2025-09-08T04:10:37,114 src/ewald.c:8438:30: warning: unused variable ‘charge’ [-Wunused-variable] 2025-09-08T04:10:37,114 8438 | REAL alpha,chargeA,chargeB,charge,r,rr; 2025-09-08T04:10:37,114 | ^~~~~~ 2025-09-08T04:10:37,124 src/ewald.c:8436:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:37,124 8436 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2025-09-08T04:10:37,124 | ^~~ 2025-09-08T04:10:37,135 src/ewald.c:8431:30: warning: unused variable ‘nr_of_bonddipoles’ [-Wunused-variable] 2025-09-08T04:10:37,135 8431 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2025-09-08T04:10:37,135 | ^~~~~~~~~~~~~~~~~ 2025-09-08T04:10:37,145 src/ewald.c:8431:16: warning: unused variable ‘nr_atoms’ [-Wunused-variable] 2025-09-08T04:10:37,145 8431 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2025-09-08T04:10:37,145 | ^~~~~~~~ 2025-09-08T04:10:37,156 src/ewald.c:8431:7: warning: unused variable ‘type_mol’ [-Wunused-variable] 2025-09-08T04:10:37,156 8431 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2025-09-08T04:10:37,156 | ^~~~~~~~ 2025-09-08T04:10:37,195 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbateCF’: 2025-09-08T04:10:37,206 src/ewald.c:9231:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:37,206 9231 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2025-09-08T04:10:37,206 | ^~~ 2025-09-08T04:10:37,247 src/ewald.c: In function ‘CalculateEwaldFourierCation’: 2025-09-08T04:10:37,259 src/ewald.c:9940:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:37,259 9940 | REAL fac,energy_charge_cations,energy_charge_adsorbates_cations,energy_charge_framework_cations; 2025-09-08T04:10:37,259 | ^~~ 2025-09-08T04:10:37,308 src/ewald.c: In function ‘CalculateEwaldFourierCationCF’: 2025-09-08T04:10:37,321 src/ewald.c:10649:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:37,321 10649 | REAL fac,energy_charge_cations,energy_charge_adsorbates_cations,energy_charge_framework_cations; 2025-09-08T04:10:37,321 | ^~~ 2025-09-08T04:10:37,358 src/ewald.c: In function ‘CalculateEwaldFourierFrameworkDisplacement’: 2025-09-08T04:10:37,372 src/ewald.c:11490:8: warning: variable ‘NetChargeNew’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:37,372 11490 | REAL NetChargeNew,NetChargeOld; 2025-09-08T04:10:37,372 | ^~~~~~~~~~~~ 2025-09-08T04:10:37,411 src/ewald.c: In function ‘CalculateEwaldFourierFrameworkAtomTranslate’: 2025-09-08T04:10:37,425 src/ewald.c:11973:13: warning: variable ‘TypeA’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:37,426 11973 | int B1,B2,TypeA; 2025-09-08T04:10:37,426 | ^~~~~ 2025-09-08T04:10:37,440 src/ewald.c:11964:13: warning: variable ‘index’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:37,440 11964 | int A1,A2,index,A,B; 2025-09-08T04:10:37,440 | ^~~~~ 2025-09-08T04:10:37,454 src/ewald.c:11960:8: warning: variable ‘NetChargeNew’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:37,455 11960 | REAL NetChargeNew,NetChargeOld; 2025-09-08T04:10:37,455 | ^~~~~~~~~~~~ 2025-09-08T04:10:37,469 src/ewald.c:11956:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:37,469 11956 | REAL fac; 2025-09-08T04:10:37,469 | ^~~ 2025-09-08T04:10:37,483 src/ewald.c:11955:7: warning: variable ‘Type’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:37,484 11955 | int Type; 2025-09-08T04:10:37,484 | ^~~~ 2025-09-08T04:10:37,496 src/ewald.c: In function ‘EwaldFourierElectrostaticPotentialAdsorbate’: 2025-09-08T04:10:37,511 src/ewald.c:12623:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:37,512 12623 | int typeA,typeB,type; 2025-09-08T04:10:37,512 | ^~~~~ 2025-09-08T04:10:37,527 src/ewald.c:12623:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:37,527 12623 | int typeA,typeB,type; 2025-09-08T04:10:37,527 | ^~~~~ 2025-09-08T04:10:37,542 src/ewald.c:12620:11: warning: variable ‘kvecs’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:37,542 12620 | VECTOR *kvecs; 2025-09-08T04:10:37,542 | ^~~~~ 2025-09-08T04:10:37,554 src/ewald.c: In function ‘EwaldFourierElectrostaticPotentialCation’: 2025-09-08T04:10:37,569 src/ewald.c:12789:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:37,569 12789 | int typeA,typeB,type; 2025-09-08T04:10:37,570 | ^~~~~ 2025-09-08T04:10:37,585 src/ewald.c:12789:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:37,585 12789 | int typeA,typeB,type; 2025-09-08T04:10:37,585 | ^~~~~ 2025-09-08T04:10:37,601 src/ewald.c:12786:11: warning: variable ‘kvecs’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:37,601 12786 | VECTOR *kvecs; 2025-09-08T04:10:37,601 | ^~~~~ 2025-09-08T04:10:37,645 src/ewald.c: In function ‘EwaldFourierStaticElectricField’: 2025-09-08T04:10:37,661 src/ewald.c:12959:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:37,661 12959 | int nvec,type_mol,type,typeA,typeB; 2025-09-08T04:10:37,661 | ^~~~~ 2025-09-08T04:10:37,677 src/ewald.c:12959:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:37,677 12959 | int nvec,type_mol,type,typeA,typeB; 2025-09-08T04:10:37,677 | ^~~~~ 2025-09-08T04:10:37,728 src/ewald.c: In function ‘ComputeStaticElectricFieldEwald’: 2025-09-08T04:10:37,744 src/ewald.c:13673:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:37,745 13673 | int nvec,type_mol,type,typeA,typeB; 2025-09-08T04:10:37,745 | ^~~~~ 2025-09-08T04:10:37,761 src/ewald.c:13673:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:37,761 13673 | int nvec,type_mol,type,typeA,typeB; 2025-09-08T04:10:37,761 | ^~~~~ 2025-09-08T04:10:37,791 src/ewald.c: In function ‘ComputeElectricFieldFromInducedDipolesEwald’: 2025-09-08T04:10:37,809 src/ewald.c:15149:8: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:37,809 15149 | REAL alpha,fac,temp,fac_self,factor,charge; 2025-09-08T04:10:37,810 | ^~~~~ 2025-09-08T04:10:37,840 src/ewald.c: In function ‘ComputeElectricFieldFromInducedDipolesEwaldMC’: 2025-09-08T04:10:37,859 src/ewald.c:15491:8: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:37,859 15491 | REAL alpha,fac,temp,fac_self,factor,charge; 2025-09-08T04:10:37,859 | ^~~~~ 2025-09-08T04:10:42,651 src/ewald.c: In function ‘CalculateEwaldFourierDerivatives’: 2025-09-08T04:10:42,675 src/ewald.c:18725:17: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:42,675 18725 | REAL *kfactor,alpha,temp; 2025-09-08T04:10:42,675 | ^~~~~ 2025-09-08T04:10:42,699 src/ewald.c:18710:8: warning: variable ‘Usum_framework’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:42,699 18710 | REAL Usum_framework; 2025-09-08T04:10:42,699 | ^~~~~~~~~~~~~~ 2025-09-08T04:10:42,723 src/ewald.c:18708:17: warning: variable ‘CksumFramework’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:42,723 18708 | COMPLEX Cksum,CksumFramework; 2025-09-08T04:10:42,723 | ^~~~~~~~~~~~~~ 2025-09-08T04:10:42,747 src/ewald.c:18695:17: warning: variable ‘energy_term’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:42,747 18695 | REAL exp_term,energy_term; 2025-09-08T04:10:42,747 | ^~~~~~~~~~~ 2025-09-08T04:10:42,771 src/ewald.c:18694:13: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:42,771 18694 | REAL Rksq,fac; 2025-09-08T04:10:42,771 | ^~~ 2025-09-08T04:10:42,795 src/ewald.c:18693:18: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:42,795 18693 | int type,typeA,typeB,Type; 2025-09-08T04:10:42,795 | ^~~~~ 2025-09-08T04:10:42,819 src/ewald.c:18693:12: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:10:42,819 18693 | int type,typeA,typeB,Type; 2025-09-08T04:10:42,819 | ^~~~~ 2025-09-08T04:11:56,505 arm-linux-gnueabihf-gcc -fno-strict-overflow -Wsign-compare -DNDEBUG -g -O2 -Wall -fPIC -Isrc -I/usr/include/python3.13 -c src/framework.c -o build/temp.linux-armv7l-cpython-313/src/framework.o 2025-09-08T04:11:56,714 src/framework.c: In function ‘MakeFrameworkCellList’: 2025-09-08T04:11:56,714 src/framework.c:145:18: warning: variable ‘M’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:11:56,714 145 | int i,f1,icell,M; 2025-09-08T04:11:56,715 | ^ 2025-09-08T04:11:56,769 src/framework.c: In function ‘ReadFrameworkDefinitionCIF’: 2025-09-08T04:11:56,770 src/framework.c:350:7: warning: variable ‘NumberOfAtomTypeElementsInBlock’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:11:56,770 350 | int NumberOfAtomTypeElementsInBlock; 2025-09-08T04:11:56,770 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:11:56,897 src/framework.c: In function ‘WriteFrameworkDefinitionCIF’: 2025-09-08T04:11:56,899 src/framework.c:2057:12: warning: variable ‘C’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:11:56,899 2057 | REAL A,B,C; 2025-09-08T04:11:56,899 | ^ 2025-09-08T04:11:56,901 src/framework.c:2057:10: warning: variable ‘B’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:11:56,901 2057 | REAL A,B,C; 2025-09-08T04:11:56,901 | ^ 2025-09-08T04:11:56,903 src/framework.c:2057:8: warning: variable ‘A’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:11:56,904 2057 | REAL A,B,C; 2025-09-08T04:11:56,904 | ^ 2025-09-08T04:11:56,926 src/framework.c: In function ‘ReadFrameworkDefinitionCSSR’: 2025-09-08T04:11:56,930 src/framework.c:3254:14: warning: variable ‘index’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:11:56,931 3254 | int i,temp,index; 2025-09-08T04:11:56,931 | ^~~~~ 2025-09-08T04:11:56,942 src/framework.c: In function ‘WriteFrameworkDefinitionPDB’: 2025-09-08T04:11:56,946 src/framework.c:3558:9: warning: variable ‘Type’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:11:56,946 3558 | int j,Type; 2025-09-08T04:11:56,947 | ^~~~ 2025-09-08T04:11:56,958 src/framework.c: In function ‘WriteFrameworkDefinitionGulp’: 2025-09-08T04:11:56,962 src/framework.c:3648:8: warning: variable ‘SerialNumber’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:11:56,963 3648 | int SerialNumber; // Atom serial number 2025-09-08T04:11:56,963 | ^~~~~~~~~~~~ 2025-09-08T04:11:57,035 src/framework.c: In function ‘ReadIonSitingDefinition’: 2025-09-08T04:11:57,040 src/framework.c:4843:14: warning: variable ‘index’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:11:57,040 4843 | int i,temp,index; 2025-09-08T04:11:57,040 | ^~~~~ 2025-09-08T04:11:57,052 src/framework.c: In function ‘ReturnNumberOfAsymmetricAtoms’: 2025-09-08T04:11:57,058 src/framework.c:5049:16: warning: variable ‘t’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:11:57,058 5049 | VECTOR pos,s,t; 2025-09-08T04:11:57,058 | ^ 2025-09-08T04:11:57,161 src/framework.c: In function ‘AddTorsionTypeToDefinitions’: 2025-09-08T04:11:57,168 src/framework.c:6742:7: warning: unused variable ‘CompareParameters’ [-Wunused-variable] 2025-09-08T04:11:57,168 6742 | int CompareParameters; 2025-09-08T04:11:57,168 | ^~~~~~~~~~~~~~~~~ 2025-09-08T04:11:57,171 src/framework.c: In function ‘AddImproperTorsionTypeToDefinitions’: 2025-09-08T04:11:57,178 src/framework.c:6833:7: warning: unused variable ‘CompareParameters’ [-Wunused-variable] 2025-09-08T04:11:57,178 6833 | int CompareParameters; 2025-09-08T04:11:57,178 | ^~~~~~~~~~~~~~~~~ 2025-09-08T04:11:57,220 src/framework.c: In function ‘ReadFrameworkSpecificDefinition’: 2025-09-08T04:11:57,228 src/framework.c:6943:7: warning: unused variable ‘int_temp1’ [-Wunused-variable] 2025-09-08T04:11:57,228 6943 | int int_temp1,int_temp2; 2025-09-08T04:11:57,228 | ^~~~~~~~~ 2025-09-08T04:11:57,237 src/framework.c:6941:18: warning: unused variable ‘dr’ [-Wunused-variable] 2025-09-08T04:11:57,237 6941 | VECTOR Rab,Rbc,dr; 2025-09-08T04:11:57,237 | ^~ 2025-09-08T04:11:57,245 src/framework.c:6941:14: warning: unused variable ‘Rbc’ [-Wunused-variable] 2025-09-08T04:11:57,245 6941 | VECTOR Rab,Rbc,dr; 2025-09-08T04:11:57,245 | ^~~ 2025-09-08T04:11:57,254 src/framework.c:6941:10: warning: unused variable ‘Rab’ [-Wunused-variable] 2025-09-08T04:11:57,254 6941 | VECTOR Rab,Rbc,dr; 2025-09-08T04:11:57,254 | ^~~ 2025-09-08T04:11:57,262 src/framework.c:6939:18: warning: unused variable ‘theta’ [-Wunused-variable] 2025-09-08T04:11:57,262 6939 | REAL r,rab,rbc,theta; 2025-09-08T04:11:57,262 | ^~~~~ 2025-09-08T04:11:57,270 src/framework.c:6939:14: warning: unused variable ‘rbc’ [-Wunused-variable] 2025-09-08T04:11:57,270 6939 | REAL r,rab,rbc,theta; 2025-09-08T04:11:57,270 | ^~~ 2025-09-08T04:11:57,279 src/framework.c:6939:10: warning: unused variable ‘rab’ [-Wunused-variable] 2025-09-08T04:11:57,279 6939 | REAL r,rab,rbc,theta; 2025-09-08T04:11:57,279 | ^~~ 2025-09-08T04:11:57,287 src/framework.c:6939:8: warning: unused variable ‘r’ [-Wunused-variable] 2025-09-08T04:11:57,287 6939 | REAL r,rab,rbc,theta; 2025-09-08T04:11:57,287 | ^ 2025-09-08T04:11:57,295 src/framework.c:6938:70: warning: unused variable ‘BendTorsionType’ [-Wunused-variable] 2025-09-08T04:11:57,296 6938 | int BondBondType=0,BondBendType=0,BendBendType=0,BondTorsionType=0,BendTorsionType=0; 2025-09-08T04:11:57,296 | ^~~~~~~~~~~~~~~ 2025-09-08T04:11:57,304 src/framework.c:6938:52: warning: unused variable ‘BondTorsionType’ [-Wunused-variable] 2025-09-08T04:11:57,304 6938 | int BondBondType=0,BondBendType=0,BendBendType=0,BondTorsionType=0,BendTorsionType=0; 2025-09-08T04:11:57,304 | ^~~~~~~~~~~~~~~ 2025-09-08T04:11:57,312 src/framework.c:6938:37: warning: unused variable ‘BendBendType’ [-Wunused-variable] 2025-09-08T04:11:57,312 6938 | int BondBondType=0,BondBendType=0,BendBendType=0,BondTorsionType=0,BendTorsionType=0; 2025-09-08T04:11:57,312 | ^~~~~~~~~~~~ 2025-09-08T04:11:57,321 src/framework.c:6938:22: warning: unused variable ‘BondBendType’ [-Wunused-variable] 2025-09-08T04:11:57,321 6938 | int BondBondType=0,BondBendType=0,BendBendType=0,BondTorsionType=0,BendTorsionType=0; 2025-09-08T04:11:57,321 | ^~~~~~~~~~~~ 2025-09-08T04:11:57,329 src/framework.c:6938:7: warning: unused variable ‘BondBondType’ [-Wunused-variable] 2025-09-08T04:11:57,329 6938 | int BondBondType=0,BondBendType=0,BendBendType=0,BondTorsionType=0,BendTorsionType=0; 2025-09-08T04:11:57,329 | ^~~~~~~~~~~~ 2025-09-08T04:11:57,337 src/framework.c:6937:43: warning: unused variable ‘InversionBendType’ [-Wunused-variable] 2025-09-08T04:11:57,338 6937 | int BondType=0,BendType=0,TorsionType=0,InversionBendType=0,ImproperTorsionType=0; 2025-09-08T04:11:57,338 | ^~~~~~~~~~~~~~~~~ 2025-09-08T04:11:57,346 src/framework.c:6936:7: warning: variable ‘NumberOfArguments’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:11:57,346 6936 | int NumberOfArguments; 2025-09-08T04:11:57,346 | ^~~~~~~~~~~~~~~~~ 2025-09-08T04:11:57,354 src/framework.c:6933:53: warning: unused variable ‘TypeNameD’ [-Wunused-variable] 2025-09-08T04:11:57,354 6933 | char TypeNameA[256],TypeNameB[256],TypeNameC[256],TypeNameD[256]; 2025-09-08T04:11:57,354 | ^~~~~~~~~ 2025-09-08T04:11:57,363 src/framework.c:6933:38: warning: unused variable ‘TypeNameC’ [-Wunused-variable] 2025-09-08T04:11:57,363 6933 | char TypeNameA[256],TypeNameB[256],TypeNameC[256],TypeNameD[256]; 2025-09-08T04:11:57,363 | ^~~~~~~~~ 2025-09-08T04:11:57,372 src/framework.c:6932:123: warning: unused variable ‘ListTypeD’ [-Wunused-variable] 2025-09-08T04:11:57,372 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2025-09-08T04:11:57,372 | ^~~~~~~~~ 2025-09-08T04:11:57,380 src/framework.c:6932:113: warning: unused variable ‘ListTypeC’ [-Wunused-variable] 2025-09-08T04:11:57,380 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2025-09-08T04:11:57,380 | ^~~~~~~~~ 2025-09-08T04:11:57,389 src/framework.c:6932:87: warning: unused variable ‘CurrentTypeD’ [-Wunused-variable] 2025-09-08T04:11:57,389 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2025-09-08T04:11:57,389 | ^~~~~~~~~~~~ 2025-09-08T04:11:57,397 src/framework.c:6932:74: warning: unused variable ‘CurrentTypeC’ [-Wunused-variable] 2025-09-08T04:11:57,397 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2025-09-08T04:11:57,397 | ^~~~~~~~~~~~ 2025-09-08T04:11:57,406 src/framework.c:6932:61: warning: unused variable ‘CurrentTypeB’ [-Wunused-variable] 2025-09-08T04:11:57,406 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2025-09-08T04:11:57,406 | ^~~~~~~~~~~~ 2025-09-08T04:11:57,415 src/framework.c:6932:48: warning: unused variable ‘CurrentTypeA’ [-Wunused-variable] 2025-09-08T04:11:57,415 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2025-09-08T04:11:57,415 | ^~~~~~~~~~~~ 2025-09-08T04:11:57,423 src/framework.c:6932:21: warning: unused variable ‘C1’ [-Wunused-variable] 2025-09-08T04:11:57,423 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2025-09-08T04:11:57,423 | ^~ 2025-09-08T04:11:57,431 src/framework.c:6932:18: warning: unused variable ‘B1’ [-Wunused-variable] 2025-09-08T04:11:57,432 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2025-09-08T04:11:57,432 | ^~ 2025-09-08T04:11:57,440 src/framework.c:6932:15: warning: unused variable ‘A1’ [-Wunused-variable] 2025-09-08T04:11:57,440 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2025-09-08T04:11:57,440 | ^~ 2025-09-08T04:11:57,448 src/framework.c:6931:60: warning: unused variable ‘arg_pointer’ [-Wunused-variable] 2025-09-08T04:11:57,449 6931 | char keyword[1024],arguments[16384],firstargument[1024],*arg_pointer; 2025-09-08T04:11:57,449 | ^~~~~~~~~~~ 2025-09-08T04:11:57,457 src/framework.c:6930:20: warning: unused variable ‘string’ [-Wunused-variable] 2025-09-08T04:11:57,458 6930 | char line[16384],string[1024],buffer[256]; 2025-09-08T04:11:57,458 | ^~~~~~ 2025-09-08T04:11:57,466 src/framework.c:6929:45: warning: unused variable ‘nr_atoms’ [-Wunused-variable] 2025-09-08T04:11:57,466 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2025-09-08T04:11:57,466 | ^~~~~~~~ 2025-09-08T04:11:57,474 src/framework.c:6929:37: warning: unused variable ‘present’ [-Wunused-variable] 2025-09-08T04:11:57,475 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2025-09-08T04:11:57,475 | ^~~~~~~ 2025-09-08T04:11:57,483 src/framework.c:6929:22: warning: unused variable ‘index_excluded’ [-Wunused-variable] 2025-09-08T04:11:57,483 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2025-09-08T04:11:57,483 | ^~~~~~~~~~~~~~ 2025-09-08T04:11:57,491 src/framework.c:6929:19: warning: unused variable ‘f1’ [-Wunused-variable] 2025-09-08T04:11:57,491 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2025-09-08T04:11:57,491 | ^~ 2025-09-08T04:11:57,500 src/framework.c:6929:17: warning: unused variable ‘n’ [-Wunused-variable] 2025-09-08T04:11:57,500 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2025-09-08T04:11:57,500 | ^ 2025-09-08T04:11:57,508 src/framework.c:6929:15: warning: unused variable ‘m’ [-Wunused-variable] 2025-09-08T04:11:57,508 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2025-09-08T04:11:57,508 | ^ 2025-09-08T04:11:57,516 src/framework.c:6929:13: warning: unused variable ‘l’ [-Wunused-variable] 2025-09-08T04:11:57,516 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2025-09-08T04:11:57,517 | ^ 2025-09-08T04:11:57,525 src/framework.c:6929:11: warning: unused variable ‘k’ [-Wunused-variable] 2025-09-08T04:11:57,525 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2025-09-08T04:11:57,525 | ^ 2025-09-08T04:11:57,545 src/framework.c: In function ‘WriteFrameworkDefinitionDLPOLY’: 2025-09-08T04:11:57,555 src/framework.c:7308:25: warning: variable ‘typeD’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:11:57,555 7308 | int typeA,typeB,typeC,typeD; 2025-09-08T04:11:57,555 | ^~~~~ 2025-09-08T04:11:57,564 src/framework.c:7308:19: warning: variable ‘typeC’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:11:57,564 7308 | int typeA,typeB,typeC,typeD; 2025-09-08T04:11:57,564 | ^~~~~ 2025-09-08T04:11:57,573 src/framework.c:7308:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:11:57,573 7308 | int typeA,typeB,typeC,typeD; 2025-09-08T04:11:57,574 | ^~~~~ 2025-09-08T04:11:57,779 src/framework.c: In function ‘ReadFrameworkDefinition’: 2025-09-08T04:11:57,789 src/framework.c:7827:8: warning: unused variable ‘string’ [-Wunused-variable] 2025-09-08T04:11:57,789 7827 | char string[256]; 2025-09-08T04:11:57,789 | ^~~~~~ 2025-09-08T04:11:57,798 src/framework.c:7826:17: warning: unused variable ‘int_temp2’ [-Wunused-variable] 2025-09-08T04:11:57,798 7826 | int int_temp1,int_temp2; 2025-09-08T04:11:57,799 | ^~~~~~~~~ 2025-09-08T04:11:57,808 src/framework.c:7826:7: warning: unused variable ‘int_temp1’ [-Wunused-variable] 2025-09-08T04:11:57,808 7826 | int int_temp1,int_temp2; 2025-09-08T04:11:57,808 | ^~~~~~~~~ 2025-09-08T04:11:57,818 src/framework.c:7814:22: warning: variable ‘index_excluded’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:11:57,818 7814 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2025-09-08T04:11:57,818 | ^~~~~~~~~~~~~~ 2025-09-08T04:11:57,854 src/framework.c: In function ‘MakeExcludedInteractionLists’: 2025-09-08T04:11:57,869 src/framework.c:11201:13: warning: variable ‘TypeB’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:11:57,869 11201 | int TypeA,TypeB; 2025-09-08T04:11:57,869 | ^~~~~ 2025-09-08T04:11:57,883 src/framework.c:11201:7: warning: variable ‘TypeA’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:11:57,883 11201 | int TypeA,TypeB; 2025-09-08T04:11:57,883 | ^~~~~ 2025-09-08T04:12:02,391 src/framework.c: In function ‘WriteFrameworkDefinitionMOL’: 2025-09-08T04:12:02,396 src/framework.c:3050:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2025-09-08T04:12:02,396 3050 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.mol",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-08T04:12:02,397 | ^~ ~~~~~~~~~~~~~~ 2025-09-08T04:12:02,400 src/framework.c:3050:9: note: ‘sprintf’ output 33 or more bytes (assuming 288) into a destination of size 256 2025-09-08T04:12:02,400 3050 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.mol",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-08T04:12:02,400 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:12:02,529 src/framework.c: In function ‘WriteFrameworkDefinitionCSSR’: 2025-09-08T04:12:02,535 src/framework.c:3463:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2025-09-08T04:12:02,535 3463 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.cssr",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-08T04:12:02,536 | ^~ ~~~~~~~~~~~~~~ 2025-09-08T04:12:02,540 src/framework.c:3463:9: note: ‘sprintf’ output 34 or more bytes (assuming 289) into a destination of size 256 2025-09-08T04:12:02,540 3463 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.cssr",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-08T04:12:02,540 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:12:02,544 src/framework.c:3530:37: warning: ‘%-6s’ directive output may be truncated writing between 6 and 31 bytes into a region of size 10 [-Wformat-truncation=] 2025-09-08T04:12:02,544 3530 | snprintf(AtomName,10,"%-6s",PseudoAtoms[Framework[CurrentSystem].AtomsAsymmetric[CurrentFramework][j].Type].PrintToPDBName); 2025-09-08T04:12:02,545 | ^~~~ 2025-09-08T04:12:02,549 src/framework.c:3530:15: note: ‘snprintf’ output between 7 and 32 bytes into a destination of size 10 2025-09-08T04:12:02,549 3530 | snprintf(AtomName,10,"%-6s",PseudoAtoms[Framework[CurrentSystem].AtomsAsymmetric[CurrentFramework][j].Type].PrintToPDBName); 2025-09-08T04:12:02,549 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:12:02,554 src/framework.c:3502:37: warning: ‘%-6s’ directive output may be truncated writing between 6 and 31 bytes into a region of size 10 [-Wformat-truncation=] 2025-09-08T04:12:02,554 3502 | snprintf(AtomName,10,"%-6s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2025-09-08T04:12:02,554 | ^~~~ 2025-09-08T04:12:02,558 src/framework.c:3502:15: note: ‘snprintf’ output between 7 and 32 bytes into a destination of size 10 2025-09-08T04:12:02,558 3502 | snprintf(AtomName,10,"%-6s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2025-09-08T04:12:02,558 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:12:02,732 src/framework.c: In function ‘WriteFrameworkDefinitionPDB’: 2025-09-08T04:12:02,739 src/framework.c:3596:52: warning: ‘%s’ directive writing up to 255 bytes into a region of size 230 [-Wformat-overflow=] 2025-09-08T04:12:02,739 3596 | sprintf(buffer,"Movies/System_%d/Framework_%s%s.pdb",CurrentSystem,string,FileNameAppend); 2025-09-08T04:12:02,739 | ^~ ~~~~~~~~~~~~~~ 2025-09-08T04:12:02,743 src/framework.c:3596:7: note: ‘sprintf’ output 31 or more bytes (assuming 286) into a destination of size 256 2025-09-08T04:12:02,743 3596 | sprintf(buffer,"Movies/System_%d/Framework_%s%s.pdb",CurrentSystem,string,FileNameAppend); 2025-09-08T04:12:02,743 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:12:02,750 src/framework.c:3603:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 218 and 228 [-Wformat-overflow=] 2025-09-08T04:12:02,750 3603 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.pdb",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-08T04:12:02,750 | ^~ ~~~~~~~~~~~~~~ 2025-09-08T04:12:02,754 src/framework.c:3603:9: note: ‘sprintf’ output 33 or more bytes (assuming 298) into a destination of size 256 2025-09-08T04:12:02,754 3603 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.pdb",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-08T04:12:02,755 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:12:02,759 src/framework.c:3617:35: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 10 [-Wformat-truncation=] 2025-09-08T04:12:02,759 3617 | snprintf(AtomName,10,"%2s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2025-09-08T04:12:02,759 | ^~~ 2025-09-08T04:12:02,763 src/framework.c:3617:13: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 10 2025-09-08T04:12:02,764 3617 | snprintf(AtomName,10,"%2s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2025-09-08T04:12:02,764 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:12:02,768 src/framework.c:3618:34: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 10 [-Wformat-truncation=] 2025-09-08T04:12:02,768 3618 | snprintf(Element,10,"%2s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2025-09-08T04:12:02,768 | ^~~ 2025-09-08T04:12:02,772 src/framework.c:3618:13: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 10 2025-09-08T04:12:02,773 3618 | snprintf(Element,10,"%2s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2025-09-08T04:12:02,773 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:12:02,971 src/framework.c: In function ‘WriteFrameworkDefinitionGulp’: 2025-09-08T04:12:02,977 src/framework.c:3672:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2025-09-08T04:12:02,977 3672 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.gulp",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-08T04:12:02,978 | ^~ ~~~~~~~~~~~~~~ 2025-09-08T04:12:02,982 src/framework.c:3672:9: note: ‘sprintf’ output 34 or more bytes (assuming 289) into a destination of size 256 2025-09-08T04:12:02,982 3672 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.gulp",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-08T04:12:02,982 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:12:03,255 src/framework.c: In function ‘WriteFrameworkDefinitionVASP’: 2025-09-08T04:12:03,262 src/framework.c:3808:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2025-09-08T04:12:03,263 3808 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.vasp",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-08T04:12:03,263 | ^~ ~~~~~~~~~~~~~~ 2025-09-08T04:12:03,267 src/framework.c:3808:9: note: ‘sprintf’ output 34 or more bytes (assuming 289) into a destination of size 256 2025-09-08T04:12:03,267 3808 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.vasp",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-08T04:12:03,267 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:12:03,417 src/framework.c: In function ‘WriteFrameworkDefinitionTinker’: 2025-09-08T04:12:03,424 src/framework.c:3915:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2025-09-08T04:12:03,424 3915 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.txyz",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-08T04:12:03,424 | ^~ ~~~~~~~~~~~~~~ 2025-09-08T04:12:03,429 src/framework.c:3915:9: note: ‘sprintf’ output 34 or more bytes (assuming 289) into a destination of size 256 2025-09-08T04:12:03,429 3915 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.txyz",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-08T04:12:03,429 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:12:03,434 src/framework.c:3925:31: warning: ‘%3s’ directive writing between 3 and 31 bytes into a region of size 10 [-Wformat-overflow=] 2025-09-08T04:12:03,434 3925 | sprintf(AtomName,"%3s",PseudoAtoms[Type].PrintToPDBName); 2025-09-08T04:12:03,434 | ^~~ 2025-09-08T04:12:03,438 src/framework.c:3925:13: note: ‘sprintf’ output between 4 and 32 bytes into a destination of size 10 2025-09-08T04:12:03,439 3925 | sprintf(AtomName,"%3s",PseudoAtoms[Type].PrintToPDBName); 2025-09-08T04:12:03,439 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:12:04,377 src/framework.c: In function ‘ReadIonSitingDefinition’: 2025-09-08T04:12:04,386 src/framework.c:4848:22: warning: ‘%s’ directive writing 4 bytes into a region of size between 0 and 255 [-Wformat-overflow=] 2025-09-08T04:12:04,386 4848 | sprintf(buffer,"%s.%s",Framework[CurrentSystem].NameIons,"ions"); 2025-09-08T04:12:04,386 | ^~ ~~~~~~ 2025-09-08T04:12:04,392 src/framework.c:4848:3: note: ‘sprintf’ output between 6 and 261 bytes into a destination of size 256 2025-09-08T04:12:04,392 4848 | sprintf(buffer,"%s.%s",Framework[CurrentSystem].NameIons,"ions"); 2025-09-08T04:12:04,392 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:12:04,398 src/framework.c:4851:52: warning: ‘%s’ directive writing up to 255 bytes into a region of size 227 [-Wformat-overflow=] 2025-09-08T04:12:04,398 4851 | sprintf(buffer,"%s/share/raspa/structures/ions/%s.%s", 2025-09-08T04:12:04,398 | ^~ 2025-09-08T04:12:04,403 src/framework.c:4851:5: note: ‘sprintf’ output 35 or more bytes (assuming 290) into a destination of size 256 2025-09-08T04:12:04,403 4851 | sprintf(buffer,"%s/share/raspa/structures/ions/%s.%s", 2025-09-08T04:12:04,403 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:12:04,403 4852 | RASPA_DIRECTORY, 2025-09-08T04:12:04,403 | ~~~~~~~~~~~~~~~~ 2025-09-08T04:12:04,404 4853 | Framework[CurrentSystem].NameIons, 2025-09-08T04:12:04,404 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:12:04,404 4854 | "ions"); 2025-09-08T04:12:04,404 | ~~~~~~~ 2025-09-08T04:12:12,460 src/framework.c: In function ‘WriteFrameworkDefinitionCIF.part.0’: 2025-09-08T04:12:12,463 src/framework.c:2102:69: warning: ‘%s’ directive writing up to 255 bytes into a region of size 217 [-Wformat-overflow=] 2025-09-08T04:12:12,463 2102 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d_VASP%s.cif", 2025-09-08T04:12:12,463 | ^~ 2025-09-08T04:12:12,464 ...... 2025-09-08T04:12:12,464 2105 | FileNameAppend); 2025-09-08T04:12:12,464 | ~~~~~~~~~~~~~~ 2025-09-08T04:12:12,465 src/framework.c:2102:7: note: ‘sprintf’ output 44 or more bytes (assuming 299) into a destination of size 256 2025-09-08T04:12:12,466 2102 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d_VASP%s.cif", 2025-09-08T04:12:12,466 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:12:12,466 2103 | CurrentSystem,CurrentFramework,string, 2025-09-08T04:12:12,466 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:12:12,466 2104 | NumberOfUnitCells[CurrentSystem].x,NumberOfUnitCells[CurrentSystem].y,NumberOfUnitCells[CurrentSystem].z, 2025-09-08T04:12:12,466 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:12:12,466 2105 | FileNameAppend); 2025-09-08T04:12:12,466 | ~~~~~~~~~~~~~~~ 2025-09-08T04:12:12,470 src/framework.c:2329:67: warning: ‘%s’ directive writing up to 255 bytes into a region of size 219 [-Wformat-overflow=] 2025-09-08T04:12:12,471 2329 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d_P1%s.cif", 2025-09-08T04:12:12,471 | ^~ 2025-09-08T04:12:12,471 ...... 2025-09-08T04:12:12,471 2332 | FileNameAppend); 2025-09-08T04:12:12,471 | ~~~~~~~~~~~~~~ 2025-09-08T04:12:12,473 src/framework.c:2329:7: note: ‘sprintf’ output 42 or more bytes (assuming 297) into a destination of size 256 2025-09-08T04:12:12,473 2329 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d_P1%s.cif", 2025-09-08T04:12:12,473 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:12:12,473 2330 | CurrentSystem,CurrentFramework,string, 2025-09-08T04:12:12,473 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:12:12,473 2331 | NumberOfUnitCells[CurrentSystem].x,NumberOfUnitCells[CurrentSystem].y,NumberOfUnitCells[CurrentSystem].z, 2025-09-08T04:12:12,473 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:12:12,474 2332 | FileNameAppend); 2025-09-08T04:12:12,474 | ~~~~~~~~~~~~~~~ 2025-09-08T04:12:12,478 src/framework.c:2548:66: warning: ‘%s’ directive writing up to 255 bytes into a region of size 222 [-Wformat-overflow=] 2025-09-08T04:12:12,479 2548 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d%s.cif", 2025-09-08T04:12:12,479 | ^~ 2025-09-08T04:12:12,479 2549 | CurrentSystem,CurrentFramework,string,1,1,1,FileNameAppend); 2025-09-08T04:12:12,479 | ~~~~~~~~~~~~~~ 2025-09-08T04:12:12,481 src/framework.c:2548:9: note: ‘sprintf’ output 39 or more bytes (assuming 294) into a destination of size 256 2025-09-08T04:12:12,481 2548 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d%s.cif", 2025-09-08T04:12:12,481 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:12:12,482 2549 | CurrentSystem,CurrentFramework,string,1,1,1,FileNameAppend); 2025-09-08T04:12:12,482 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:12:15,467 src/framework.c: In function ‘AddBondTypeToDefinitions’: 2025-09-08T04:12:15,474 src/framework.c:6620:18: warning: ‘NumberOfArguments’ may be used uninitialized [-Wmaybe-uninitialized] 2025-09-08T04:12:15,474 6620 | for(j=0;j= num_terms) 2025-09-08T04:18:23,211 | ^~ 2025-09-08T04:18:23,213 src/matrix.c:2286:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2025-09-08T04:18:23,213 2286 | for( i = 0; i < mp; ++i ) 2025-09-08T04:18:23,213 | ^ 2025-09-08T04:18:23,215 src/matrix.c:2290:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2025-09-08T04:18:23,215 2290 | for( j = 0; j < np; ++j ) 2025-09-08T04:18:23,215 | ^ 2025-09-08T04:18:23,216 src/matrix.c:2295:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2025-09-08T04:18:23,216 2295 | for( i = 0; i < np; ++i ) 2025-09-08T04:18:23,217 | ^ 2025-09-08T04:18:23,218 src/matrix.c:2299:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2025-09-08T04:18:23,218 2299 | for( j = 0; j < np; ++j ) 2025-09-08T04:18:23,218 | ^ 2025-09-08T04:18:23,220 src/matrix.c:2304:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2025-09-08T04:18:23,220 2304 | for( i = 0; i < np; ++i ) 2025-09-08T04:18:23,220 | ^ 2025-09-08T04:18:23,221 src/matrix.c:2309:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2025-09-08T04:18:23,222 2309 | for( i = 0; i < np; ++i ) 2025-09-08T04:18:23,222 | ^ 2025-09-08T04:18:23,223 src/matrix.c:2312:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2025-09-08T04:18:23,223 2312 | for( j = 0; j < np; ++j ) 2025-09-08T04:18:23,223 | ^ 2025-09-08T04:18:23,226 src/matrix.c:2257:13: warning: variable ‘vm’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:18:23,226 2257 | double *vm = NULL; 2025-09-08T04:18:23,226 | ^~ 2025-09-08T04:18:29,450 arm-linux-gnueabihf-gcc -fno-strict-overflow -Wsign-compare -DNDEBUG -g -O2 -Wall -fPIC -Isrc -I/usr/include/python3.13 -c src/mc_moves.c -o build/temp.linux-armv7l-cpython-313/src/mc_moves.o 2025-09-08T04:18:30,018 src/mc_moves.c: In function ‘IdentityChangeAdsorbateMove’: 2025-09-08T04:18:30,026 src/mc_moves.c:6154:20: warning: unused variable ‘type’ [-Wunused-variable] 2025-09-08T04:18:30,026 6154 | int i,d,nr_atoms,type; 2025-09-08T04:18:30,026 | ^~~~ 2025-09-08T04:18:30,034 src/mc_moves.c:6154:11: warning: unused variable ‘nr_atoms’ [-Wunused-variable] 2025-09-08T04:18:30,034 6154 | int i,d,nr_atoms,type; 2025-09-08T04:18:30,034 | ^~~~~~~~ 2025-09-08T04:18:30,050 src/mc_moves.c: In function ‘IdentityChangeCationMove’: 2025-09-08T04:18:30,059 src/mc_moves.c:6455:20: warning: unused variable ‘type’ [-Wunused-variable] 2025-09-08T04:18:30,059 6455 | int i,d,nr_atoms,type; 2025-09-08T04:18:30,059 | ^~~~ 2025-09-08T04:18:30,067 src/mc_moves.c:6455:11: warning: unused variable ‘nr_atoms’ [-Wunused-variable] 2025-09-08T04:18:30,067 6455 | int i,d,nr_atoms,type; 2025-09-08T04:18:30,067 | ^~~~~~~~ 2025-09-08T04:18:30,186 src/mc_moves.c: In function ‘VolumeMove’: 2025-09-08T04:18:30,196 src/mc_moves.c:7932:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:18:30,197 7932 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2025-09-08T04:18:30,197 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:18:30,240 src/mc_moves.c: In function ‘BoxShapeChangeMove’: 2025-09-08T04:18:30,251 src/mc_moves.c:8443:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:18:30,252 8443 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2025-09-08T04:18:30,252 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:18:30,267 src/mc_moves.c: In function ‘ParallelTemperingMove’: 2025-09-08T04:18:30,280 src/mc_moves.c:9041:25: warning: variable ‘PartialFugacityB’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:18:30,280 9041 | REAL PartialFugacityA,PartialFugacityB; 2025-09-08T04:18:30,280 | ^~~~~~~~~~~~~~~~ 2025-09-08T04:18:30,292 src/mc_moves.c:9041:8: warning: variable ‘PartialFugacityA’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:18:30,292 9041 | REAL PartialFugacityA,PartialFugacityB; 2025-09-08T04:18:30,292 | ^~~~~~~~~~~~~~~~ 2025-09-08T04:18:30,351 src/mc_moves.c: In function ‘ChiralInversionMove’: 2025-09-08T04:18:30,364 src/mc_moves.c:9804:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:18:30,365 9804 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2025-09-08T04:18:30,365 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:18:30,802 src/mc_moves.c: In function ‘HybridNVEMove’: 2025-09-08T04:18:30,821 src/mc_moves.c:13405:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:18:30,821 13405 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2025-09-08T04:18:30,821 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:18:30,904 src/mc_moves.c: In function ‘HybridNPHMove’: 2025-09-08T04:18:30,923 src/mc_moves.c:13959:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:18:30,924 13959 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2025-09-08T04:18:30,924 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:18:31,018 src/mc_moves.c: In function ‘HybridNPHPRMove’: 2025-09-08T04:18:31,038 src/mc_moves.c:14504:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:18:31,038 14504 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2025-09-08T04:18:31,038 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:18:31,105 src/mc_moves.c: In function ‘CFWangLandauIteration’: 2025-09-08T04:18:31,126 src/mc_moves.c:15099:17: warning: variable ‘MostProbableIndex’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:18:31,126 15099 | int condition,MostProbableIndex; 2025-09-08T04:18:31,126 | ^~~~~~~~~~~~~~~~~ 2025-09-08T04:18:32,151 src/mc_moves.c: In function ‘CFGibbsParticleTransferAdsorbateMove’: 2025-09-08T04:18:32,178 src/mc_moves.c:18867:8: warning: variable ‘Rosen’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:18:32,178 18867 | REAL Rosen,RosenbluthNew,RosenbluthOld; 2025-09-08T04:18:32,178 | ^~~~~ 2025-09-08T04:18:32,536 src/mc_moves.c: In function ‘CFGibbsParticleTransferCationMove’: 2025-09-08T04:18:32,565 src/mc_moves.c:20381:8: warning: variable ‘PartialFugacity’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:18:32,566 20381 | REAL PartialFugacity,UTailDelta[2]; 2025-09-08T04:18:32,566 | ^~~~~~~~~~~~~~~ 2025-09-08T04:18:33,038 src/mc_moves.c: In function ‘CBCFGibbsParticleTransferAdsorbateMove’: 2025-09-08T04:18:33,070 src/mc_moves.c:21956:8: warning: variable ‘Rosen’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:18:33,070 21956 | REAL Rosen,RosenbluthNewA,RosenbluthOldA,RosenbluthNewB,RosenbluthOldB; 2025-09-08T04:18:33,071 | ^~~~~ 2025-09-08T04:18:33,561 src/mc_moves.c: In function ‘CBCFGibbsParticleTransferCationMove’: 2025-09-08T04:18:33,586 src/mc_moves.c:23779:8: warning: variable ‘Rosen’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:18:33,586 23779 | REAL Rosen,RosenbluthNewA,RosenbluthOldA,RosenbluthNewB,RosenbluthOldB; 2025-09-08T04:18:33,587 | ^~~~~ 2025-09-08T04:18:33,870 src/mc_moves.c: In function ‘CFCRXMCLambdaChangeMove’: 2025-09-08T04:18:33,904 src/mc_moves.c:26079:58: error: implicit declaration of function ‘numberOfReactionMoleculesForComponent’ [-Wimplicit-function-declaration] 2025-09-08T04:18:33,905 26079 | N=Components[i].NumberOfMolecules[CurrentSystem]-numberOfReactionMoleculesForComponent(i); 2025-09-08T04:18:33,905 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T04:18:33,988 src/mc_moves.c: In function ‘CFRXMCWangLandauIteration’: 2025-09-08T04:18:34,028 src/mc_moves.c:26587:17: warning: variable ‘MostProbableIndex’ set but not used [-Wunused-but-set-variable] 2025-09-08T04:18:34,028 26587 | int condition,MostProbableIndex; 2025-09-08T04:18:34,028 | ^~~~~~~~~~~~~~~~~ 2025-09-08T04:18:34,068 src/mc_moves.c:26586:7: warning: unused variable ‘FractionalMolecule’ [-Wunused-variable] 2025-09-08T04:18:34,068 26586 | int FractionalMolecule,index; 2025-09-08T04:18:34,068 | ^~~~~~~~~~~~~~~~~~ 2025-09-08T04:18:34,119 src/mc_moves.c: In function ‘PrintRXMCStatistics’: 2025-09-08T04:18:34,159 src/mc_moves.c:26708:9: warning: unused variable ‘j’ [-Wunused-variable] 2025-09-08T04:18:34,160 26708 | int i,j,k; 2025-09-08T04:18:34,160 | ^ 2025-09-08T04:18:34,195 src/mc_moves.c: In function ‘AllocateMCMovesMemory’: 2025-09-08T04:18:34,235 src/mc_moves.c:27007:11: warning: unused variable ‘k’ [-Wunused-variable] 2025-09-08T04:18:34,235 27007 | int i,j,k; 2025-09-08T04:18:34,235 | ^ 2025-09-08T04:18:35,228 error: command '/usr/bin/arm-linux-gnueabihf-gcc' failed with exit code 1 2025-09-08T04:18:35,369 ERROR: python setup.py bdist_wheel exited with 1 2025-09-08T04:18:35,381 [bold magenta]full command[/]: [blue]/usr/bin/python3 -u -c ' 2025-09-08T04:18:35,381 exec(compile('"'"''"'"''"'"' 2025-09-08T04:18:35,381 # This is -- a caller that pip uses to run setup.py 2025-09-08T04:18:35,381 # 2025-09-08T04:18:35,381 # - It imports setuptools before invoking setup.py, to enable projects that directly 2025-09-08T04:18:35,381 # import from `distutils.core` to work with newer packaging standards. 2025-09-08T04:18:35,381 # - It provides a clear error message when setuptools is not installed. 2025-09-08T04:18:35,381 # - It sets `sys.argv[0]` to the underlying `setup.py`, when invoking `setup.py` so 2025-09-08T04:18:35,381 # setuptools doesn'"'"'t think the script is `-c`. This avoids the following warning: 2025-09-08T04:18:35,381 # manifest_maker: standard file '"'"'-c'"'"' not found". 2025-09-08T04:18:35,381 # - It generates a shim setup.py, for handling setup.cfg-only projects. 2025-09-08T04:18:35,381 import os, sys, tokenize, traceback 2025-09-08T04:18:35,381 2025-09-08T04:18:35,381 try: 2025-09-08T04:18:35,381 import setuptools 2025-09-08T04:18:35,381 except ImportError: 2025-09-08T04:18:35,381 print( 2025-09-08T04:18:35,381 "ERROR: Can not execute `setup.py` since setuptools failed to import in " 2025-09-08T04:18:35,381 "the build environment with exception:", 2025-09-08T04:18:35,381 file=sys.stderr, 2025-09-08T04:18:35,381 ) 2025-09-08T04:18:35,381 traceback.print_exc() 2025-09-08T04:18:35,381 sys.exit(1) 2025-09-08T04:18:35,381 2025-09-08T04:18:35,381 __file__ = %r 2025-09-08T04:18:35,381 sys.argv[0] = __file__ 2025-09-08T04:18:35,381 2025-09-08T04:18:35,381 if os.path.exists(__file__): 2025-09-08T04:18:35,381 filename = __file__ 2025-09-08T04:18:35,381 with tokenize.open(__file__) as f: 2025-09-08T04:18:35,381 setup_py_code = f.read() 2025-09-08T04:18:35,381 else: 2025-09-08T04:18:35,381 filename = "" 2025-09-08T04:18:35,381 setup_py_code = "from setuptools import setup; setup()" 2025-09-08T04:18:35,381 2025-09-08T04:18:35,381 exec(compile(setup_py_code, filename, "exec")) 2025-09-08T04:18:35,381 '"'"''"'"''"'"' % ('"'"'/tmp/pip-wheel-6zz4e8ox/raspa2_42a91fc0002345b9adb5032206390d80/setup.py'"'"',), "", "exec"))' bdist_wheel -d /tmp/pip-wheel-ff6oors4[/] 2025-09-08T04:18:35,381 [bold magenta]cwd[/]: /tmp/pip-wheel-6zz4e8ox/raspa2_42a91fc0002345b9adb5032206390d80/ 2025-09-08T04:18:35,381 Building wheel for raspa2 (setup.py): finished with status 'error' 2025-09-08T04:18:35,382 ERROR: Failed building wheel for raspa2 2025-09-08T04:18:35,383 Running setup.py clean for raspa2 2025-09-08T04:18:35,383 Running command python setup.py clean 2025-09-08T04:18:36,746 running clean 2025-09-08T04:18:36,895 removing 'build/temp.linux-armv7l-cpython-313' (and everything under it) 2025-09-08T04:18:36,899 removing 'build/lib.linux-armv7l-cpython-313' (and everything under it) 2025-09-08T04:18:36,918 'build/bdist.linux-armv7l' does not exist -- can't clean it 2025-09-08T04:18:36,918 'build/scripts-3.13' does not exist -- can't clean it 2025-09-08T04:18:36,918 removing 'build' 2025-09-08T04:18:37,043 Failed to build raspa2 2025-09-08T04:18:37,044 ERROR: Failed to build one or more wheels 2025-09-08T04:18:37,045 Exception information: 2025-09-08T04:18:37,045 Traceback (most recent call last): 2025-09-08T04:18:37,045 File "/usr/lib/python3/dist-packages/pip/_internal/cli/base_command.py", line 105, in _run_wrapper 2025-09-08T04:18:37,045 status = _inner_run() 2025-09-08T04:18:37,045 File "/usr/lib/python3/dist-packages/pip/_internal/cli/base_command.py", line 96, in _inner_run 2025-09-08T04:18:37,045 return self.run(options, args) 2025-09-08T04:18:37,045 ~~~~~~~~^^^^^^^^^^^^^^^ 2025-09-08T04:18:37,045 File "/usr/lib/python3/dist-packages/pip/_internal/cli/req_command.py", line 68, in wrapper 2025-09-08T04:18:37,045 return func(self, options, args) 2025-09-08T04:18:37,045 File "/usr/lib/python3/dist-packages/pip/_internal/commands/wheel.py", line 180, in run 2025-09-08T04:18:37,045 raise CommandError("Failed to build one or more wheels") 2025-09-08T04:18:37,045 pip._internal.exceptions.CommandError: Failed to build one or more wheels 2025-09-08T04:18:37,050 Removed build tracker: '/tmp/pip-build-tracker-ogsm5yb3'