2025-09-08T01:33:35,991 Created temporary directory: /tmp/pip-build-tracker-yynpf9u1 2025-09-08T01:33:35,992 Initialized build tracking at /tmp/pip-build-tracker-yynpf9u1 2025-09-08T01:33:35,992 Created build tracker: /tmp/pip-build-tracker-yynpf9u1 2025-09-08T01:33:35,992 Entered build tracker: /tmp/pip-build-tracker-yynpf9u1 2025-09-08T01:33:35,992 Created temporary directory: /tmp/pip-wheel-nb88r7hr 2025-09-08T01:33:35,995 Created temporary directory: /tmp/pip-ephem-wheel-cache-x5oeph1v 2025-09-08T01:33:36,053 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2025-09-08T01:33:36,055 2 location(s) to search for versions of raspa2: 2025-09-08T01:33:36,055 * https://pypi.org/simple/raspa2/ 2025-09-08T01:33:36,055 * https://www.piwheels.org/simple/raspa2/ 2025-09-08T01:33:36,056 Fetching project page and analyzing links: https://pypi.org/simple/raspa2/ 2025-09-08T01:33:36,056 Getting page https://pypi.org/simple/raspa2/ 2025-09-08T01:33:36,057 Found index url https://pypi.org/simple/ 2025-09-08T01:33:36,127 Fetched page https://pypi.org/simple/raspa2/ as application/vnd.pypi.simple.v1+json 2025-09-08T01:33:36,129 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 2025-09-08T01:33:36,129 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 2025-09-08T01:33:36,129 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 2025-09-08T01:33:36,130 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/) 2025-09-08T01:33:36,130 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 2025-09-08T01:33:36,130 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/) 2025-09-08T01:33:36,130 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/) 2025-09-08T01:33:36,130 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 2025-09-08T01:33:36,131 Fetching project page and analyzing links: https://www.piwheels.org/simple/raspa2/ 2025-09-08T01:33:36,131 Getting page https://www.piwheels.org/simple/raspa2/ 2025-09-08T01:33:36,132 Found index url https://www.piwheels.org/simple/ 2025-09-08T01:33:36,214 Fetched page https://www.piwheels.org/simple/raspa2/ as text/html 2025-09-08T01:33:36,218 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/) 2025-09-08T01:33:36,219 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/) 2025-09-08T01:33:36,219 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/) 2025-09-08T01:33:36,219 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/) 2025-09-08T01:33:36,219 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/) 2025-09-08T01:33:36,219 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/) 2025-09-08T01:33:36,219 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/) 2025-09-08T01:33:36,220 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/) 2025-09-08T01:33:36,220 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/) 2025-09-08T01:33:36,220 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/) 2025-09-08T01:33:36,220 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/) 2025-09-08T01:33:36,220 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/) 2025-09-08T01:33:36,220 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/) 2025-09-08T01:33:36,220 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/) 2025-09-08T01:33:36,221 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/) 2025-09-08T01:33:36,221 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/) 2025-09-08T01:33:36,221 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/) 2025-09-08T01:33:36,221 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/) 2025-09-08T01:33:36,221 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/) 2025-09-08T01:33:36,221 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/) 2025-09-08T01:33:36,221 Skipping link: not a file: https://www.piwheels.org/simple/raspa2/ 2025-09-08T01:33:36,222 Skipping link: not a file: https://pypi.org/simple/raspa2/ 2025-09-08T01:33:36,246 Given no hashes to check 1 links for project 'raspa2': discarding no candidates 2025-09-08T01:33:36,247 Collecting raspa2==2.0.2 2025-09-08T01:33:36,248 Created temporary directory: /tmp/pip-unpack-adjxwisx 2025-09-08T01:33:36,560 Downloading RASPA2-2.0.2.tar.gz (3.3 MB) 2025-09-08T01:33:37,865 Added raspa2==2.0.2 from https://files.pythonhosted.org/packages/b6/ea/debb1c49fd389a8e1956bce120f2c7cc86d3aa2fe3f12fe320c8a693f208/RASPA2-2.0.2.tar.gz to build tracker '/tmp/pip-build-tracker-yynpf9u1' 2025-09-08T01:33:37,866 Running setup.py (path:/tmp/pip-wheel-nb88r7hr/raspa2_40ac11a93e024fb39bdea2118fcf95a2/setup.py) egg_info for package raspa2 2025-09-08T01:33:37,866 Created temporary directory: /tmp/pip-pip-egg-info-tdnsbnu9 2025-09-08T01:33:37,867 Preparing metadata (setup.py): started 2025-09-08T01:33:37,867 Running command python setup.py egg_info 2025-09-08T01:33:39,116 running egg_info 2025-09-08T01:33:39,192 creating /tmp/pip-pip-egg-info-tdnsbnu9/RASPA2.egg-info 2025-09-08T01:33:39,192 writing /tmp/pip-pip-egg-info-tdnsbnu9/RASPA2.egg-info/PKG-INFO 2025-09-08T01:33:39,193 writing dependency_links to /tmp/pip-pip-egg-info-tdnsbnu9/RASPA2.egg-info/dependency_links.txt 2025-09-08T01:33:39,194 writing entry points to /tmp/pip-pip-egg-info-tdnsbnu9/RASPA2.egg-info/entry_points.txt 2025-09-08T01:33:39,195 writing top-level names to /tmp/pip-pip-egg-info-tdnsbnu9/RASPA2.egg-info/top_level.txt 2025-09-08T01:33:39,195 writing manifest file '/tmp/pip-pip-egg-info-tdnsbnu9/RASPA2.egg-info/SOURCES.txt' 2025-09-08T01:33:39,545 reading manifest file '/tmp/pip-pip-egg-info-tdnsbnu9/RASPA2.egg-info/SOURCES.txt' 2025-09-08T01:33:39,546 reading manifest template 'MANIFEST.in' 2025-09-08T01:33:39,662 writing manifest file '/tmp/pip-pip-egg-info-tdnsbnu9/RASPA2.egg-info/SOURCES.txt' 2025-09-08T01:33:39,783 Preparing metadata (setup.py): finished with status 'done' 2025-09-08T01:33:39,788 Source in /tmp/pip-wheel-nb88r7hr/raspa2_40ac11a93e024fb39bdea2118fcf95a2 has version 2.0.2, which satisfies requirement raspa2==2.0.2 from https://files.pythonhosted.org/packages/b6/ea/debb1c49fd389a8e1956bce120f2c7cc86d3aa2fe3f12fe320c8a693f208/RASPA2-2.0.2.tar.gz 2025-09-08T01:33:39,788 Removed raspa2==2.0.2 from https://files.pythonhosted.org/packages/b6/ea/debb1c49fd389a8e1956bce120f2c7cc86d3aa2fe3f12fe320c8a693f208/RASPA2-2.0.2.tar.gz from build tracker '/tmp/pip-build-tracker-yynpf9u1' 2025-09-08T01:33:39,791 Created temporary directory: /tmp/pip-unpack-midupn6x 2025-09-08T01:33:39,792 Created temporary directory: /tmp/pip-unpack-5aiqn61w 2025-09-08T01:33:39,792 Building wheels for collected packages: raspa2 2025-09-08T01:33:39,793 Created temporary directory: /tmp/pip-wheel-57dufdvm 2025-09-08T01:33:39,794 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 2025-09-08T01:33:39,795 Building wheel for raspa2 (setup.py): started 2025-09-08T01:33:39,796 Destination directory: /tmp/pip-wheel-57dufdvm 2025-09-08T01:33:39,796 Running command python setup.py bdist_wheel 2025-09-08T01:33:41,398 running bdist_wheel 2025-09-08T01:33:41,767 running build 2025-09-08T01:33:41,767 running build_py 2025-09-08T01:33:41,845 creating build/lib.linux-armv7l-cpython-313/RASPA2 2025-09-08T01:33:41,846 copying python/output_parser.py -> build/lib.linux-armv7l-cpython-313/RASPA2 2025-09-08T01:33:41,846 copying python/raspa2.py -> build/lib.linux-armv7l-cpython-313/RASPA2 2025-09-08T01:33:41,847 copying python/__init__.py -> build/lib.linux-armv7l-cpython-313/RASPA2 2025-09-08T01:33:41,848 running egg_info 2025-09-08T01:33:41,921 writing RASPA2.egg-info/PKG-INFO 2025-09-08T01:33:41,922 writing dependency_links to RASPA2.egg-info/dependency_links.txt 2025-09-08T01:33:41,923 writing entry points to RASPA2.egg-info/entry_points.txt 2025-09-08T01:33:41,924 writing top-level names to RASPA2.egg-info/top_level.txt 2025-09-08T01:33:42,052 reading manifest file 'RASPA2.egg-info/SOURCES.txt' 2025-09-08T01:33:42,097 reading manifest template 'MANIFEST.in' 2025-09-08T01:33:42,223 writing manifest file 'RASPA2.egg-info/SOURCES.txt' 2025-09-08T01:33:42,225 /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. 2025-09-08T01:33:42,225 !! 2025-09-08T01:33:42,225 ******************************************************************************** 2025-09-08T01:33:42,225 ############################ 2025-09-08T01:33:42,225 # Package would be ignored # 2025-09-08T01:33:42,226 ############################ 2025-09-08T01:33:42,226 Python recognizes 'RASPA2.share.raspa.forcefield.AmirjalayerSchmid' as an importable package[^1], 2025-09-08T01:33:42,226 but it is absent from setuptools' `packages` configuration. 2025-09-08T01:33:42,226 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T01:33:42,226 package, please make sure that 'RASPA2.share.raspa.forcefield.AmirjalayerSchmid' is explicitly added 2025-09-08T01:33:42,226 to the `packages` configuration field. 2025-09-08T01:33:42,226 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T01:33:42,226 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T01:33:42,226 instead of `find_packages(...)`/`find:`). 2025-09-08T01:33:42,227 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T01:33:42,227 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T01:33:42,227 If you don't want 'RASPA2.share.raspa.forcefield.AmirjalayerSchmid' to be distributed and are 2025-09-08T01:33:42,227 already explicitly excluding 'RASPA2.share.raspa.forcefield.AmirjalayerSchmid' via 2025-09-08T01:33:42,227 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T01:33:42,227 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T01:33:42,227 combination with a more fine grained `package-data` configuration. 2025-09-08T01:33:42,227 You can read more about "package data files" on setuptools documentation page: 2025-09-08T01:33:42,228 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T01:33:42,228 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T01:33:42,228 even if it does not contain any `.py` files. 2025-09-08T01:33:42,228 On the other hand, currently there is no concept of package data 2025-09-08T01:33:42,228 directory, all directories are treated like packages. 2025-09-08T01:33:42,228 ******************************************************************************** 2025-09-08T01:33:42,228 !! 2025-09-08T01:33:42,229 check.warn(importable) 2025-09-08T01:33:42,229 /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. 2025-09-08T01:33:42,229 !! 2025-09-08T01:33:42,229 ******************************************************************************** 2025-09-08T01:33:42,229 ############################ 2025-09-08T01:33:42,229 # Package would be ignored # 2025-09-08T01:33:42,229 ############################ 2025-09-08T01:33:42,229 Python recognizes 'RASPA2.share.raspa.forcefield.CastilloVlugtCalero2009' as an importable package[^1], 2025-09-08T01:33:42,229 but it is absent from setuptools' `packages` configuration. 2025-09-08T01:33:42,230 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T01:33:42,230 package, please make sure that 'RASPA2.share.raspa.forcefield.CastilloVlugtCalero2009' is explicitly added 2025-09-08T01:33:42,230 to the `packages` configuration field. 2025-09-08T01:33:42,230 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T01:33:42,230 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T01:33:42,230 instead of `find_packages(...)`/`find:`). 2025-09-08T01:33:42,230 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T01:33:42,230 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T01:33:42,231 If you don't want 'RASPA2.share.raspa.forcefield.CastilloVlugtCalero2009' to be distributed and are 2025-09-08T01:33:42,231 already explicitly excluding 'RASPA2.share.raspa.forcefield.CastilloVlugtCalero2009' via 2025-09-08T01:33:42,231 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T01:33:42,231 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T01:33:42,231 combination with a more fine grained `package-data` configuration. 2025-09-08T01:33:42,231 You can read more about "package data files" on setuptools documentation page: 2025-09-08T01:33:42,231 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T01:33:42,231 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T01:33:42,232 even if it does not contain any `.py` files. 2025-09-08T01:33:42,232 On the other hand, currently there is no concept of package data 2025-09-08T01:33:42,232 directory, all directories are treated like packages. 2025-09-08T01:33:42,232 ******************************************************************************** 2025-09-08T01:33:42,232 !! 2025-09-08T01:33:42,232 check.warn(importable) 2025-09-08T01:33:42,232 /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. 2025-09-08T01:33:42,232 !! 2025-09-08T01:33:42,232 ******************************************************************************** 2025-09-08T01:33:42,233 ############################ 2025-09-08T01:33:42,233 # Package would be ignored # 2025-09-08T01:33:42,233 ############################ 2025-09-08T01:33:42,233 Python recognizes 'RASPA2.share.raspa.forcefield.CoreShellCatlow' as an importable package[^1], 2025-09-08T01:33:42,233 but it is absent from setuptools' `packages` configuration. 2025-09-08T01:33:42,233 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T01:33:42,233 package, please make sure that 'RASPA2.share.raspa.forcefield.CoreShellCatlow' is explicitly added 2025-09-08T01:33:42,233 to the `packages` configuration field. 2025-09-08T01:33:42,233 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T01:33:42,233 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T01:33:42,234 instead of `find_packages(...)`/`find:`). 2025-09-08T01:33:42,234 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T01:33:42,234 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T01:33:42,234 If you don't want 'RASPA2.share.raspa.forcefield.CoreShellCatlow' to be distributed and are 2025-09-08T01:33:42,234 already explicitly excluding 'RASPA2.share.raspa.forcefield.CoreShellCatlow' via 2025-09-08T01:33:42,234 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T01:33:42,234 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T01:33:42,234 combination with a more fine grained `package-data` configuration. 2025-09-08T01:33:42,235 You can read more about "package data files" on setuptools documentation page: 2025-09-08T01:33:42,235 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T01:33:42,235 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T01:33:42,235 even if it does not contain any `.py` files. 2025-09-08T01:33:42,235 On the other hand, currently there is no concept of package data 2025-09-08T01:33:42,235 directory, all directories are treated like packages. 2025-09-08T01:33:42,235 ******************************************************************************** 2025-09-08T01:33:42,235 !! 2025-09-08T01:33:42,236 check.warn(importable) 2025-09-08T01:33:42,236 /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. 2025-09-08T01:33:42,236 !! 2025-09-08T01:33:42,236 ******************************************************************************** 2025-09-08T01:33:42,236 ############################ 2025-09-08T01:33:42,236 # Package would be ignored # 2025-09-08T01:33:42,236 ############################ 2025-09-08T01:33:42,236 Python recognizes 'RASPA2.share.raspa.forcefield.CoreShellSastreGale2005' as an importable package[^1], 2025-09-08T01:33:42,236 but it is absent from setuptools' `packages` configuration. 2025-09-08T01:33:42,236 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T01:33:42,237 package, please make sure that 'RASPA2.share.raspa.forcefield.CoreShellSastreGale2005' is explicitly added 2025-09-08T01:33:42,237 to the `packages` configuration field. 2025-09-08T01:33:42,237 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T01:33:42,237 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T01:33:42,237 instead of `find_packages(...)`/`find:`). 2025-09-08T01:33:42,237 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T01:33:42,237 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T01:33:42,238 If you don't want 'RASPA2.share.raspa.forcefield.CoreShellSastreGale2005' to be distributed and are 2025-09-08T01:33:42,238 already explicitly excluding 'RASPA2.share.raspa.forcefield.CoreShellSastreGale2005' via 2025-09-08T01:33:42,238 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T01:33:42,238 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T01:33:42,238 combination with a more fine grained `package-data` configuration. 2025-09-08T01:33:42,238 You can read more about "package data files" on setuptools documentation page: 2025-09-08T01:33:42,238 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T01:33:42,239 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T01:33:42,239 even if it does not contain any `.py` files. 2025-09-08T01:33:42,239 On the other hand, currently there is no concept of package data 2025-09-08T01:33:42,239 directory, all directories are treated like packages. 2025-09-08T01:33:42,239 ******************************************************************************** 2025-09-08T01:33:42,239 !! 2025-09-08T01:33:42,239 check.warn(importable) 2025-09-08T01:33:42,239 /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. 2025-09-08T01:33:42,239 !! 2025-09-08T01:33:42,240 ******************************************************************************** 2025-09-08T01:33:42,240 ############################ 2025-09-08T01:33:42,240 # Package would be ignored # 2025-09-08T01:33:42,240 ############################ 2025-09-08T01:33:42,240 Python recognizes 'RASPA2.share.raspa.forcefield.CoreShellSchroderSauer' as an importable package[^1], 2025-09-08T01:33:42,240 but it is absent from setuptools' `packages` configuration. 2025-09-08T01:33:42,240 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T01:33:42,240 package, please make sure that 'RASPA2.share.raspa.forcefield.CoreShellSchroderSauer' is explicitly added 2025-09-08T01:33:42,240 to the `packages` configuration field. 2025-09-08T01:33:42,240 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T01:33:42,241 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T01:33:42,241 instead of `find_packages(...)`/`find:`). 2025-09-08T01:33:42,241 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T01:33:42,241 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T01:33:42,241 If you don't want 'RASPA2.share.raspa.forcefield.CoreShellSchroderSauer' to be distributed and are 2025-09-08T01:33:42,241 already explicitly excluding 'RASPA2.share.raspa.forcefield.CoreShellSchroderSauer' via 2025-09-08T01:33:42,241 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T01:33:42,242 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T01:33:42,242 combination with a more fine grained `package-data` configuration. 2025-09-08T01:33:42,242 You can read more about "package data files" on setuptools documentation page: 2025-09-08T01:33:42,242 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T01:33:42,242 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T01:33:42,242 even if it does not contain any `.py` files. 2025-09-08T01:33:42,242 On the other hand, currently there is no concept of package data 2025-09-08T01:33:42,243 directory, all directories are treated like packages. 2025-09-08T01:33:42,243 ******************************************************************************** 2025-09-08T01:33:42,243 !! 2025-09-08T01:33:42,243 check.warn(importable) 2025-09-08T01:33:42,243 /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. 2025-09-08T01:33:42,243 !! 2025-09-08T01:33:42,243 ******************************************************************************** 2025-09-08T01:33:42,243 ############################ 2025-09-08T01:33:42,243 # Package would be ignored # 2025-09-08T01:33:42,244 ############################ 2025-09-08T01:33:42,244 Python recognizes 'RASPA2.share.raspa.forcefield.CrystalGenerator' as an importable package[^1], 2025-09-08T01:33:42,244 but it is absent from setuptools' `packages` configuration. 2025-09-08T01:33:42,244 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T01:33:42,244 package, please make sure that 'RASPA2.share.raspa.forcefield.CrystalGenerator' is explicitly added 2025-09-08T01:33:42,244 to the `packages` configuration field. 2025-09-08T01:33:42,244 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T01:33:42,244 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T01:33:42,244 instead of `find_packages(...)`/`find:`). 2025-09-08T01:33:42,245 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T01:33:42,245 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T01:33:42,245 If you don't want 'RASPA2.share.raspa.forcefield.CrystalGenerator' to be distributed and are 2025-09-08T01:33:42,245 already explicitly excluding 'RASPA2.share.raspa.forcefield.CrystalGenerator' via 2025-09-08T01:33:42,245 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T01:33:42,245 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T01:33:42,245 combination with a more fine grained `package-data` configuration. 2025-09-08T01:33:42,245 You can read more about "package data files" on setuptools documentation page: 2025-09-08T01:33:42,246 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T01:33:42,246 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T01:33:42,246 even if it does not contain any `.py` files. 2025-09-08T01:33:42,246 On the other hand, currently there is no concept of package data 2025-09-08T01:33:42,246 directory, all directories are treated like packages. 2025-09-08T01:33:42,246 ******************************************************************************** 2025-09-08T01:33:42,246 !! 2025-09-08T01:33:42,246 check.warn(importable) 2025-09-08T01:33:42,247 /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. 2025-09-08T01:33:42,247 !! 2025-09-08T01:33:42,247 ******************************************************************************** 2025-09-08T01:33:42,247 ############################ 2025-09-08T01:33:42,247 # Package would be ignored # 2025-09-08T01:33:42,247 ############################ 2025-09-08T01:33:42,247 Python recognizes 'RASPA2.share.raspa.forcefield' as an importable package[^1], 2025-09-08T01:33:42,247 but it is absent from setuptools' `packages` configuration. 2025-09-08T01:33:42,247 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T01:33:42,248 package, please make sure that 'RASPA2.share.raspa.forcefield' is explicitly added 2025-09-08T01:33:42,248 to the `packages` configuration field. 2025-09-08T01:33:42,248 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T01:33:42,248 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T01:33:42,248 instead of `find_packages(...)`/`find:`). 2025-09-08T01:33:42,248 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T01:33:42,248 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T01:33:42,249 If you don't want 'RASPA2.share.raspa.forcefield' to be distributed and are 2025-09-08T01:33:42,249 already explicitly excluding 'RASPA2.share.raspa.forcefield' via 2025-09-08T01:33:42,249 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T01:33:42,249 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T01:33:42,249 combination with a more fine grained `package-data` configuration. 2025-09-08T01:33:42,249 You can read more about "package data files" on setuptools documentation page: 2025-09-08T01:33:42,249 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T01:33:42,249 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T01:33:42,250 even if it does not contain any `.py` files. 2025-09-08T01:33:42,250 On the other hand, currently there is no concept of package data 2025-09-08T01:33:42,250 directory, all directories are treated like packages. 2025-09-08T01:33:42,250 ******************************************************************************** 2025-09-08T01:33:42,250 !! 2025-09-08T01:33:42,250 check.warn(importable) 2025-09-08T01:33:42,250 /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. 2025-09-08T01:33:42,250 !! 2025-09-08T01:33:42,250 ******************************************************************************** 2025-09-08T01:33:42,251 ############################ 2025-09-08T01:33:42,251 # Package would be ignored # 2025-09-08T01:33:42,251 ############################ 2025-09-08T01:33:42,251 Python recognizes 'RASPA2.share.raspa.forcefield.GarciaPerez2006' as an importable package[^1], 2025-09-08T01:33:42,251 but it is absent from setuptools' `packages` configuration. 2025-09-08T01:33:42,251 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T01:33:42,251 package, please make sure that 'RASPA2.share.raspa.forcefield.GarciaPerez2006' is explicitly added 2025-09-08T01:33:42,251 to the `packages` configuration field. 2025-09-08T01:33:42,251 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T01:33:42,251 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T01:33:42,252 instead of `find_packages(...)`/`find:`). 2025-09-08T01:33:42,252 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T01:33:42,252 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T01:33:42,252 If you don't want 'RASPA2.share.raspa.forcefield.GarciaPerez2006' to be distributed and are 2025-09-08T01:33:42,252 already explicitly excluding 'RASPA2.share.raspa.forcefield.GarciaPerez2006' via 2025-09-08T01:33:42,252 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T01:33:42,252 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T01:33:42,252 combination with a more fine grained `package-data` configuration. 2025-09-08T01:33:42,253 You can read more about "package data files" on setuptools documentation page: 2025-09-08T01:33:42,253 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T01:33:42,253 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T01:33:42,253 even if it does not contain any `.py` files. 2025-09-08T01:33:42,253 On the other hand, currently there is no concept of package data 2025-09-08T01:33:42,253 directory, all directories are treated like packages. 2025-09-08T01:33:42,253 ******************************************************************************** 2025-09-08T01:33:42,254 !! 2025-09-08T01:33:42,254 check.warn(importable) 2025-09-08T01:33:42,254 /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. 2025-09-08T01:33:42,254 !! 2025-09-08T01:33:42,254 ******************************************************************************** 2025-09-08T01:33:42,254 ############################ 2025-09-08T01:33:42,254 # Package would be ignored # 2025-09-08T01:33:42,254 ############################ 2025-09-08T01:33:42,254 Python recognizes 'RASPA2.share.raspa.forcefield.GenericMOFs' as an importable package[^1], 2025-09-08T01:33:42,254 but it is absent from setuptools' `packages` configuration. 2025-09-08T01:33:42,255 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T01:33:42,255 package, please make sure that 'RASPA2.share.raspa.forcefield.GenericMOFs' is explicitly added 2025-09-08T01:33:42,255 to the `packages` configuration field. 2025-09-08T01:33:42,255 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T01:33:42,255 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T01:33:42,255 instead of `find_packages(...)`/`find:`). 2025-09-08T01:33:42,255 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T01:33:42,256 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T01:33:42,256 If you don't want 'RASPA2.share.raspa.forcefield.GenericMOFs' to be distributed and are 2025-09-08T01:33:42,256 already explicitly excluding 'RASPA2.share.raspa.forcefield.GenericMOFs' via 2025-09-08T01:33:42,256 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T01:33:42,256 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T01:33:42,256 combination with a more fine grained `package-data` configuration. 2025-09-08T01:33:42,256 You can read more about "package data files" on setuptools documentation page: 2025-09-08T01:33:42,256 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T01:33:42,257 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T01:33:42,257 even if it does not contain any `.py` files. 2025-09-08T01:33:42,257 On the other hand, currently there is no concept of package data 2025-09-08T01:33:42,257 directory, all directories are treated like packages. 2025-09-08T01:33:42,257 ******************************************************************************** 2025-09-08T01:33:42,257 !! 2025-09-08T01:33:42,257 check.warn(importable) 2025-09-08T01:33:42,257 /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. 2025-09-08T01:33:42,258 !! 2025-09-08T01:33:42,258 ******************************************************************************** 2025-09-08T01:33:42,258 ############################ 2025-09-08T01:33:42,258 # Package would be ignored # 2025-09-08T01:33:42,258 ############################ 2025-09-08T01:33:42,258 Python recognizes 'RASPA2.share.raspa.forcefield.GenericZeolites' as an importable package[^1], 2025-09-08T01:33:42,258 but it is absent from setuptools' `packages` configuration. 2025-09-08T01:33:42,258 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T01:33:42,258 package, please make sure that 'RASPA2.share.raspa.forcefield.GenericZeolites' is explicitly added 2025-09-08T01:33:42,259 to the `packages` configuration field. 2025-09-08T01:33:42,259 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T01:33:42,259 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T01:33:42,259 instead of `find_packages(...)`/`find:`). 2025-09-08T01:33:42,259 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T01:33:42,259 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T01:33:42,259 If you don't want 'RASPA2.share.raspa.forcefield.GenericZeolites' to be distributed and are 2025-09-08T01:33:42,259 already explicitly excluding 'RASPA2.share.raspa.forcefield.GenericZeolites' via 2025-09-08T01:33:42,260 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T01:33:42,260 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T01:33:42,260 combination with a more fine grained `package-data` configuration. 2025-09-08T01:33:42,260 You can read more about "package data files" on setuptools documentation page: 2025-09-08T01:33:42,260 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T01:33:42,260 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T01:33:42,260 even if it does not contain any `.py` files. 2025-09-08T01:33:42,260 On the other hand, currently there is no concept of package data 2025-09-08T01:33:42,261 directory, all directories are treated like packages. 2025-09-08T01:33:42,261 ******************************************************************************** 2025-09-08T01:33:42,261 !! 2025-09-08T01:33:42,261 check.warn(importable) 2025-09-08T01:33:42,261 /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. 2025-09-08T01:33:42,261 !! 2025-09-08T01:33:42,261 ******************************************************************************** 2025-09-08T01:33:42,261 ############################ 2025-09-08T01:33:42,261 # Package would be ignored # 2025-09-08T01:33:42,261 ############################ 2025-09-08T01:33:42,262 Python recognizes 'RASPA2.share.raspa.forcefield.Nicholas' as an importable package[^1], 2025-09-08T01:33:42,262 but it is absent from setuptools' `packages` configuration. 2025-09-08T01:33:42,262 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T01:33:42,262 package, please make sure that 'RASPA2.share.raspa.forcefield.Nicholas' is explicitly added 2025-09-08T01:33:42,262 to the `packages` configuration field. 2025-09-08T01:33:42,262 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T01:33:42,262 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T01:33:42,262 instead of `find_packages(...)`/`find:`). 2025-09-08T01:33:42,262 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T01:33:42,263 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T01:33:42,263 If you don't want 'RASPA2.share.raspa.forcefield.Nicholas' to be distributed and are 2025-09-08T01:33:42,263 already explicitly excluding 'RASPA2.share.raspa.forcefield.Nicholas' via 2025-09-08T01:33:42,263 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T01:33:42,263 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T01:33:42,263 combination with a more fine grained `package-data` configuration. 2025-09-08T01:33:42,263 You can read more about "package data files" on setuptools documentation page: 2025-09-08T01:33:42,264 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T01:33:42,264 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T01:33:42,264 even if it does not contain any `.py` files. 2025-09-08T01:33:42,264 On the other hand, currently there is no concept of package data 2025-09-08T01:33:42,264 directory, all directories are treated like packages. 2025-09-08T01:33:42,264 ******************************************************************************** 2025-09-08T01:33:42,264 !! 2025-09-08T01:33:42,264 check.warn(importable) 2025-09-08T01:33:42,264 /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. 2025-09-08T01:33:42,265 !! 2025-09-08T01:33:42,265 ******************************************************************************** 2025-09-08T01:33:42,265 ############################ 2025-09-08T01:33:42,265 # Package would be ignored # 2025-09-08T01:33:42,265 ############################ 2025-09-08T01:33:42,265 Python recognizes 'RASPA2.share.raspa.forcefield.Pascual2004' as an importable package[^1], 2025-09-08T01:33:42,265 but it is absent from setuptools' `packages` configuration. 2025-09-08T01:33:42,265 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T01:33:42,265 package, please make sure that 'RASPA2.share.raspa.forcefield.Pascual2004' is explicitly added 2025-09-08T01:33:42,265 to the `packages` configuration field. 2025-09-08T01:33:42,266 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T01:33:42,266 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T01:33:42,266 instead of `find_packages(...)`/`find:`). 2025-09-08T01:33:42,266 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T01:33:42,266 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T01:33:42,266 If you don't want 'RASPA2.share.raspa.forcefield.Pascual2004' to be distributed and are 2025-09-08T01:33:42,266 already explicitly excluding 'RASPA2.share.raspa.forcefield.Pascual2004' via 2025-09-08T01:33:42,266 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T01:33:42,266 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T01:33:42,267 combination with a more fine grained `package-data` configuration. 2025-09-08T01:33:42,267 You can read more about "package data files" on setuptools documentation page: 2025-09-08T01:33:42,267 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T01:33:42,267 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T01:33:42,267 even if it does not contain any `.py` files. 2025-09-08T01:33:42,267 On the other hand, currently there is no concept of package data 2025-09-08T01:33:42,267 directory, all directories are treated like packages. 2025-09-08T01:33:42,267 ******************************************************************************** 2025-09-08T01:33:42,268 !! 2025-09-08T01:33:42,268 check.warn(importable) 2025-09-08T01:33:42,268 /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. 2025-09-08T01:33:42,268 !! 2025-09-08T01:33:42,268 ******************************************************************************** 2025-09-08T01:33:42,268 ############################ 2025-09-08T01:33:42,268 # Package would be ignored # 2025-09-08T01:33:42,268 ############################ 2025-09-08T01:33:42,268 Python recognizes 'RASPA2.share.raspa.forcefield.RigidIonKramer1991' as an importable package[^1], 2025-09-08T01:33:42,268 but it is absent from setuptools' `packages` configuration. 2025-09-08T01:33:42,269 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T01:33:42,269 package, please make sure that 'RASPA2.share.raspa.forcefield.RigidIonKramer1991' is explicitly added 2025-09-08T01:33:42,269 to the `packages` configuration field. 2025-09-08T01:33:42,269 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T01:33:42,269 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T01:33:42,269 instead of `find_packages(...)`/`find:`). 2025-09-08T01:33:42,269 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T01:33:42,270 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T01:33:42,270 If you don't want 'RASPA2.share.raspa.forcefield.RigidIonKramer1991' to be distributed and are 2025-09-08T01:33:42,270 already explicitly excluding 'RASPA2.share.raspa.forcefield.RigidIonKramer1991' via 2025-09-08T01:33:42,270 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T01:33:42,270 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T01:33:42,270 combination with a more fine grained `package-data` configuration. 2025-09-08T01:33:42,270 You can read more about "package data files" on setuptools documentation page: 2025-09-08T01:33:42,270 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T01:33:42,271 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T01:33:42,271 even if it does not contain any `.py` files. 2025-09-08T01:33:42,271 On the other hand, currently there is no concept of package data 2025-09-08T01:33:42,271 directory, all directories are treated like packages. 2025-09-08T01:33:42,271 ******************************************************************************** 2025-09-08T01:33:42,271 !! 2025-09-08T01:33:42,271 check.warn(importable) 2025-09-08T01:33:42,271 /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. 2025-09-08T01:33:42,271 !! 2025-09-08T01:33:42,272 ******************************************************************************** 2025-09-08T01:33:42,272 ############################ 2025-09-08T01:33:42,272 # Package would be ignored # 2025-09-08T01:33:42,272 ############################ 2025-09-08T01:33:42,272 Python recognizes 'RASPA2.share.raspa.forcefield.TraPPE' as an importable package[^1], 2025-09-08T01:33:42,272 but it is absent from setuptools' `packages` configuration. 2025-09-08T01:33:42,272 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T01:33:42,272 package, please make sure that 'RASPA2.share.raspa.forcefield.TraPPE' is explicitly added 2025-09-08T01:33:42,272 to the `packages` configuration field. 2025-09-08T01:33:42,272 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T01:33:42,273 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T01:33:42,273 instead of `find_packages(...)`/`find:`). 2025-09-08T01:33:42,273 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T01:33:42,273 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T01:33:42,273 If you don't want 'RASPA2.share.raspa.forcefield.TraPPE' to be distributed and are 2025-09-08T01:33:42,273 already explicitly excluding 'RASPA2.share.raspa.forcefield.TraPPE' via 2025-09-08T01:33:42,273 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T01:33:42,273 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T01:33:42,273 combination with a more fine grained `package-data` configuration. 2025-09-08T01:33:42,274 You can read more about "package data files" on setuptools documentation page: 2025-09-08T01:33:42,274 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T01:33:42,274 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T01:33:42,274 even if it does not contain any `.py` files. 2025-09-08T01:33:42,274 On the other hand, currently there is no concept of package data 2025-09-08T01:33:42,274 directory, all directories are treated like packages. 2025-09-08T01:33:42,274 ******************************************************************************** 2025-09-08T01:33:42,275 !! 2025-09-08T01:33:42,275 check.warn(importable) 2025-09-08T01:33:42,275 /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. 2025-09-08T01:33:42,275 !! 2025-09-08T01:33:42,275 ******************************************************************************** 2025-09-08T01:33:42,275 ############################ 2025-09-08T01:33:42,275 # Package would be ignored # 2025-09-08T01:33:42,275 ############################ 2025-09-08T01:33:42,275 Python recognizes 'RASPA2.share.raspa.framework.AmirjalayerSchmid' as an importable package[^1], 2025-09-08T01:33:42,275 but it is absent from setuptools' `packages` configuration. 2025-09-08T01:33:42,276 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T01:33:42,276 package, please make sure that 'RASPA2.share.raspa.framework.AmirjalayerSchmid' is explicitly added 2025-09-08T01:33:42,276 to the `packages` configuration field. 2025-09-08T01:33:42,276 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T01:33:42,276 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T01:33:42,276 instead of `find_packages(...)`/`find:`). 2025-09-08T01:33:42,276 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T01:33:42,276 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T01:33:42,277 If you don't want 'RASPA2.share.raspa.framework.AmirjalayerSchmid' to be distributed and are 2025-09-08T01:33:42,277 already explicitly excluding 'RASPA2.share.raspa.framework.AmirjalayerSchmid' via 2025-09-08T01:33:42,277 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T01:33:42,277 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T01:33:42,277 combination with a more fine grained `package-data` configuration. 2025-09-08T01:33:42,277 You can read more about "package data files" on setuptools documentation page: 2025-09-08T01:33:42,277 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T01:33:42,278 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T01:33:42,278 even if it does not contain any `.py` files. 2025-09-08T01:33:42,278 On the other hand, currently there is no concept of package data 2025-09-08T01:33:42,278 directory, all directories are treated like packages. 2025-09-08T01:33:42,278 ******************************************************************************** 2025-09-08T01:33:42,278 !! 2025-09-08T01:33:42,278 check.warn(importable) 2025-09-08T01:33:42,278 /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. 2025-09-08T01:33:42,278 !! 2025-09-08T01:33:42,278 ******************************************************************************** 2025-09-08T01:33:42,279 ############################ 2025-09-08T01:33:42,279 # Package would be ignored # 2025-09-08T01:33:42,279 ############################ 2025-09-08T01:33:42,279 Python recognizes 'RASPA2.share.raspa.framework.CoreShellCatlow' as an importable package[^1], 2025-09-08T01:33:42,279 but it is absent from setuptools' `packages` configuration. 2025-09-08T01:33:42,279 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T01:33:42,279 package, please make sure that 'RASPA2.share.raspa.framework.CoreShellCatlow' is explicitly added 2025-09-08T01:33:42,279 to the `packages` configuration field. 2025-09-08T01:33:42,279 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T01:33:42,279 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T01:33:42,280 instead of `find_packages(...)`/`find:`). 2025-09-08T01:33:42,280 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T01:33:42,280 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T01:33:42,280 If you don't want 'RASPA2.share.raspa.framework.CoreShellCatlow' to be distributed and are 2025-09-08T01:33:42,280 already explicitly excluding 'RASPA2.share.raspa.framework.CoreShellCatlow' via 2025-09-08T01:33:42,280 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T01:33:42,280 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T01:33:42,280 combination with a more fine grained `package-data` configuration. 2025-09-08T01:33:42,281 You can read more about "package data files" on setuptools documentation page: 2025-09-08T01:33:42,281 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T01:33:42,281 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T01:33:42,281 even if it does not contain any `.py` files. 2025-09-08T01:33:42,281 On the other hand, currently there is no concept of package data 2025-09-08T01:33:42,281 directory, all directories are treated like packages. 2025-09-08T01:33:42,281 ******************************************************************************** 2025-09-08T01:33:42,281 !! 2025-09-08T01:33:42,282 check.warn(importable) 2025-09-08T01:33:42,282 /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. 2025-09-08T01:33:42,282 !! 2025-09-08T01:33:42,282 ******************************************************************************** 2025-09-08T01:33:42,282 ############################ 2025-09-08T01:33:42,282 # Package would be ignored # 2025-09-08T01:33:42,282 ############################ 2025-09-08T01:33:42,282 Python recognizes 'RASPA2.share.raspa.framework.CoreShellSastreGale2005' as an importable package[^1], 2025-09-08T01:33:42,282 but it is absent from setuptools' `packages` configuration. 2025-09-08T01:33:42,282 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T01:33:42,283 package, please make sure that 'RASPA2.share.raspa.framework.CoreShellSastreGale2005' is explicitly added 2025-09-08T01:33:42,283 to the `packages` configuration field. 2025-09-08T01:33:42,283 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T01:33:42,283 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T01:33:42,283 instead of `find_packages(...)`/`find:`). 2025-09-08T01:33:42,283 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T01:33:42,283 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T01:33:42,283 If you don't want 'RASPA2.share.raspa.framework.CoreShellSastreGale2005' to be distributed and are 2025-09-08T01:33:42,284 already explicitly excluding 'RASPA2.share.raspa.framework.CoreShellSastreGale2005' via 2025-09-08T01:33:42,284 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T01:33:42,284 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T01:33:42,284 combination with a more fine grained `package-data` configuration. 2025-09-08T01:33:42,284 You can read more about "package data files" on setuptools documentation page: 2025-09-08T01:33:42,284 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T01:33:42,284 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T01:33:42,284 even if it does not contain any `.py` files. 2025-09-08T01:33:42,285 On the other hand, currently there is no concept of package data 2025-09-08T01:33:42,285 directory, all directories are treated like packages. 2025-09-08T01:33:42,285 ******************************************************************************** 2025-09-08T01:33:42,285 !! 2025-09-08T01:33:42,285 check.warn(importable) 2025-09-08T01:33:42,285 /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. 2025-09-08T01:33:42,285 !! 2025-09-08T01:33:42,285 ******************************************************************************** 2025-09-08T01:33:42,285 ############################ 2025-09-08T01:33:42,285 # Package would be ignored # 2025-09-08T01:33:42,286 ############################ 2025-09-08T01:33:42,286 Python recognizes 'RASPA2.share.raspa.framework.CoreShellSchroderSauer' as an importable package[^1], 2025-09-08T01:33:42,286 but it is absent from setuptools' `packages` configuration. 2025-09-08T01:33:42,286 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T01:33:42,286 package, please make sure that 'RASPA2.share.raspa.framework.CoreShellSchroderSauer' is explicitly added 2025-09-08T01:33:42,286 to the `packages` configuration field. 2025-09-08T01:33:42,286 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T01:33:42,286 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T01:33:42,286 instead of `find_packages(...)`/`find:`). 2025-09-08T01:33:42,286 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T01:33:42,287 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T01:33:42,287 If you don't want 'RASPA2.share.raspa.framework.CoreShellSchroderSauer' to be distributed and are 2025-09-08T01:33:42,287 already explicitly excluding 'RASPA2.share.raspa.framework.CoreShellSchroderSauer' via 2025-09-08T01:33:42,287 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T01:33:42,287 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T01:33:42,287 combination with a more fine grained `package-data` configuration. 2025-09-08T01:33:42,287 You can read more about "package data files" on setuptools documentation page: 2025-09-08T01:33:42,288 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T01:33:42,288 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T01:33:42,288 even if it does not contain any `.py` files. 2025-09-08T01:33:42,288 On the other hand, currently there is no concept of package data 2025-09-08T01:33:42,288 directory, all directories are treated like packages. 2025-09-08T01:33:42,288 ******************************************************************************** 2025-09-08T01:33:42,288 !! 2025-09-08T01:33:42,288 check.warn(importable) 2025-09-08T01:33:42,288 /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. 2025-09-08T01:33:42,289 !! 2025-09-08T01:33:42,289 ******************************************************************************** 2025-09-08T01:33:42,289 ############################ 2025-09-08T01:33:42,289 # Package would be ignored # 2025-09-08T01:33:42,289 ############################ 2025-09-08T01:33:42,289 Python recognizes 'RASPA2.share.raspa.framework.Demontis' as an importable package[^1], 2025-09-08T01:33:42,289 but it is absent from setuptools' `packages` configuration. 2025-09-08T01:33:42,289 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T01:33:42,289 package, please make sure that 'RASPA2.share.raspa.framework.Demontis' is explicitly added 2025-09-08T01:33:42,289 to the `packages` configuration field. 2025-09-08T01:33:42,290 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T01:33:42,290 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T01:33:42,290 instead of `find_packages(...)`/`find:`). 2025-09-08T01:33:42,290 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T01:33:42,290 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T01:33:42,290 If you don't want 'RASPA2.share.raspa.framework.Demontis' to be distributed and are 2025-09-08T01:33:42,290 already explicitly excluding 'RASPA2.share.raspa.framework.Demontis' via 2025-09-08T01:33:42,290 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T01:33:42,290 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T01:33:42,291 combination with a more fine grained `package-data` configuration. 2025-09-08T01:33:42,291 You can read more about "package data files" on setuptools documentation page: 2025-09-08T01:33:42,291 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T01:33:42,291 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T01:33:42,291 even if it does not contain any `.py` files. 2025-09-08T01:33:42,291 On the other hand, currently there is no concept of package data 2025-09-08T01:33:42,291 directory, all directories are treated like packages. 2025-09-08T01:33:42,291 ******************************************************************************** 2025-09-08T01:33:42,292 !! 2025-09-08T01:33:42,292 check.warn(importable) 2025-09-08T01:33:42,292 /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. 2025-09-08T01:33:42,292 !! 2025-09-08T01:33:42,292 ******************************************************************************** 2025-09-08T01:33:42,292 ############################ 2025-09-08T01:33:42,292 # Package would be ignored # 2025-09-08T01:33:42,292 ############################ 2025-09-08T01:33:42,292 Python recognizes 'RASPA2.share.raspa.framework.DemontisModified' as an importable package[^1], 2025-09-08T01:33:42,292 but it is absent from setuptools' `packages` configuration. 2025-09-08T01:33:42,293 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T01:33:42,293 package, please make sure that 'RASPA2.share.raspa.framework.DemontisModified' is explicitly added 2025-09-08T01:33:42,293 to the `packages` configuration field. 2025-09-08T01:33:42,293 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T01:33:42,293 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T01:33:42,293 instead of `find_packages(...)`/`find:`). 2025-09-08T01:33:42,293 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T01:33:42,293 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T01:33:42,294 If you don't want 'RASPA2.share.raspa.framework.DemontisModified' to be distributed and are 2025-09-08T01:33:42,294 already explicitly excluding 'RASPA2.share.raspa.framework.DemontisModified' via 2025-09-08T01:33:42,294 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T01:33:42,294 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T01:33:42,294 combination with a more fine grained `package-data` configuration. 2025-09-08T01:33:42,294 You can read more about "package data files" on setuptools documentation page: 2025-09-08T01:33:42,294 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T01:33:42,295 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T01:33:42,295 even if it does not contain any `.py` files. 2025-09-08T01:33:42,295 On the other hand, currently there is no concept of package data 2025-09-08T01:33:42,295 directory, all directories are treated like packages. 2025-09-08T01:33:42,295 ******************************************************************************** 2025-09-08T01:33:42,295 !! 2025-09-08T01:33:42,295 check.warn(importable) 2025-09-08T01:33:42,295 /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. 2025-09-08T01:33:42,295 !! 2025-09-08T01:33:42,296 ******************************************************************************** 2025-09-08T01:33:42,296 ############################ 2025-09-08T01:33:42,296 # Package would be ignored # 2025-09-08T01:33:42,296 ############################ 2025-09-08T01:33:42,296 Python recognizes 'RASPA2.share.raspa.framework' as an importable package[^1], 2025-09-08T01:33:42,296 but it is absent from setuptools' `packages` configuration. 2025-09-08T01:33:42,296 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T01:33:42,296 package, please make sure that 'RASPA2.share.raspa.framework' is explicitly added 2025-09-08T01:33:42,296 to the `packages` configuration field. 2025-09-08T01:33:42,297 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T01:33:42,297 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T01:33:42,297 instead of `find_packages(...)`/`find:`). 2025-09-08T01:33:42,297 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T01:33:42,297 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T01:33:42,297 If you don't want 'RASPA2.share.raspa.framework' to be distributed and are 2025-09-08T01:33:42,297 already explicitly excluding 'RASPA2.share.raspa.framework' via 2025-09-08T01:33:42,297 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T01:33:42,298 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T01:33:42,298 combination with a more fine grained `package-data` configuration. 2025-09-08T01:33:42,298 You can read more about "package data files" on setuptools documentation page: 2025-09-08T01:33:42,298 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T01:33:42,298 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T01:33:42,298 even if it does not contain any `.py` files. 2025-09-08T01:33:42,298 On the other hand, currently there is no concept of package data 2025-09-08T01:33:42,298 directory, all directories are treated like packages. 2025-09-08T01:33:42,299 ******************************************************************************** 2025-09-08T01:33:42,299 !! 2025-09-08T01:33:42,299 check.warn(importable) 2025-09-08T01:33:42,299 /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. 2025-09-08T01:33:42,299 !! 2025-09-08T01:33:42,299 ******************************************************************************** 2025-09-08T01:33:42,299 ############################ 2025-09-08T01:33:42,299 # Package would be ignored # 2025-09-08T01:33:42,299 ############################ 2025-09-08T01:33:42,299 Python recognizes 'RASPA2.share.raspa.framework.Nicholas' as an importable package[^1], 2025-09-08T01:33:42,300 but it is absent from setuptools' `packages` configuration. 2025-09-08T01:33:42,300 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T01:33:42,300 package, please make sure that 'RASPA2.share.raspa.framework.Nicholas' is explicitly added 2025-09-08T01:33:42,300 to the `packages` configuration field. 2025-09-08T01:33:42,300 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T01:33:42,300 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T01:33:42,300 instead of `find_packages(...)`/`find:`). 2025-09-08T01:33:42,300 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T01:33:42,301 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T01:33:42,301 If you don't want 'RASPA2.share.raspa.framework.Nicholas' to be distributed and are 2025-09-08T01:33:42,301 already explicitly excluding 'RASPA2.share.raspa.framework.Nicholas' via 2025-09-08T01:33:42,301 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T01:33:42,301 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T01:33:42,301 combination with a more fine grained `package-data` configuration. 2025-09-08T01:33:42,301 You can read more about "package data files" on setuptools documentation page: 2025-09-08T01:33:42,301 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T01:33:42,302 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T01:33:42,302 even if it does not contain any `.py` files. 2025-09-08T01:33:42,302 On the other hand, currently there is no concept of package data 2025-09-08T01:33:42,302 directory, all directories are treated like packages. 2025-09-08T01:33:42,302 ******************************************************************************** 2025-09-08T01:33:42,302 !! 2025-09-08T01:33:42,302 check.warn(importable) 2025-09-08T01:33:42,302 /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. 2025-09-08T01:33:42,302 !! 2025-09-08T01:33:42,303 ******************************************************************************** 2025-09-08T01:33:42,303 ############################ 2025-09-08T01:33:42,303 # Package would be ignored # 2025-09-08T01:33:42,303 ############################ 2025-09-08T01:33:42,303 Python recognizes 'RASPA2.share.raspa.framework.NicholasModified' as an importable package[^1], 2025-09-08T01:33:42,303 but it is absent from setuptools' `packages` configuration. 2025-09-08T01:33:42,303 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T01:33:42,303 package, please make sure that 'RASPA2.share.raspa.framework.NicholasModified' is explicitly added 2025-09-08T01:33:42,303 to the `packages` configuration field. 2025-09-08T01:33:42,304 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T01:33:42,304 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T01:33:42,304 instead of `find_packages(...)`/`find:`). 2025-09-08T01:33:42,304 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T01:33:42,304 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T01:33:42,304 If you don't want 'RASPA2.share.raspa.framework.NicholasModified' to be distributed and are 2025-09-08T01:33:42,304 already explicitly excluding 'RASPA2.share.raspa.framework.NicholasModified' via 2025-09-08T01:33:42,304 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T01:33:42,304 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T01:33:42,305 combination with a more fine grained `package-data` configuration. 2025-09-08T01:33:42,305 You can read more about "package data files" on setuptools documentation page: 2025-09-08T01:33:42,305 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T01:33:42,305 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T01:33:42,305 even if it does not contain any `.py` files. 2025-09-08T01:33:42,305 On the other hand, currently there is no concept of package data 2025-09-08T01:33:42,305 directory, all directories are treated like packages. 2025-09-08T01:33:42,305 ******************************************************************************** 2025-09-08T01:33:42,306 !! 2025-09-08T01:33:42,306 check.warn(importable) 2025-09-08T01:33:42,306 /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. 2025-09-08T01:33:42,306 !! 2025-09-08T01:33:42,306 ******************************************************************************** 2025-09-08T01:33:42,306 ############################ 2025-09-08T01:33:42,306 # Package would be ignored # 2025-09-08T01:33:42,306 ############################ 2025-09-08T01:33:42,306 Python recognizes 'RASPA2.share.raspa.molecules.CastilloVlugtCalero2009' as an importable package[^1], 2025-09-08T01:33:42,306 but it is absent from setuptools' `packages` configuration. 2025-09-08T01:33:42,307 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T01:33:42,307 package, please make sure that 'RASPA2.share.raspa.molecules.CastilloVlugtCalero2009' is explicitly added 2025-09-08T01:33:42,307 to the `packages` configuration field. 2025-09-08T01:33:42,307 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T01:33:42,307 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T01:33:42,307 instead of `find_packages(...)`/`find:`). 2025-09-08T01:33:42,307 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T01:33:42,308 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T01:33:42,308 If you don't want 'RASPA2.share.raspa.molecules.CastilloVlugtCalero2009' to be distributed and are 2025-09-08T01:33:42,308 already explicitly excluding 'RASPA2.share.raspa.molecules.CastilloVlugtCalero2009' via 2025-09-08T01:33:42,308 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T01:33:42,308 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T01:33:42,308 combination with a more fine grained `package-data` configuration. 2025-09-08T01:33:42,308 You can read more about "package data files" on setuptools documentation page: 2025-09-08T01:33:42,308 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T01:33:42,309 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T01:33:42,309 even if it does not contain any `.py` files. 2025-09-08T01:33:42,309 On the other hand, currently there is no concept of package data 2025-09-08T01:33:42,309 directory, all directories are treated like packages. 2025-09-08T01:33:42,309 ******************************************************************************** 2025-09-08T01:33:42,309 !! 2025-09-08T01:33:42,309 check.warn(importable) 2025-09-08T01:33:42,309 /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. 2025-09-08T01:33:42,309 !! 2025-09-08T01:33:42,310 ******************************************************************************** 2025-09-08T01:33:42,310 ############################ 2025-09-08T01:33:42,310 # Package would be ignored # 2025-09-08T01:33:42,310 ############################ 2025-09-08T01:33:42,310 Python recognizes 'RASPA2.share.raspa.molecules.EPM2' as an importable package[^1], 2025-09-08T01:33:42,310 but it is absent from setuptools' `packages` configuration. 2025-09-08T01:33:42,310 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T01:33:42,310 package, please make sure that 'RASPA2.share.raspa.molecules.EPM2' is explicitly added 2025-09-08T01:33:42,310 to the `packages` configuration field. 2025-09-08T01:33:42,311 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T01:33:42,311 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T01:33:42,311 instead of `find_packages(...)`/`find:`). 2025-09-08T01:33:42,311 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T01:33:42,311 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T01:33:42,311 If you don't want 'RASPA2.share.raspa.molecules.EPM2' to be distributed and are 2025-09-08T01:33:42,311 already explicitly excluding 'RASPA2.share.raspa.molecules.EPM2' via 2025-09-08T01:33:42,311 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T01:33:42,312 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T01:33:42,312 combination with a more fine grained `package-data` configuration. 2025-09-08T01:33:42,312 You can read more about "package data files" on setuptools documentation page: 2025-09-08T01:33:42,312 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T01:33:42,312 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T01:33:42,312 even if it does not contain any `.py` files. 2025-09-08T01:33:42,312 On the other hand, currently there is no concept of package data 2025-09-08T01:33:42,312 directory, all directories are treated like packages. 2025-09-08T01:33:42,313 ******************************************************************************** 2025-09-08T01:33:42,313 !! 2025-09-08T01:33:42,313 check.warn(importable) 2025-09-08T01:33:42,313 /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. 2025-09-08T01:33:42,313 !! 2025-09-08T01:33:42,313 ******************************************************************************** 2025-09-08T01:33:42,313 ############################ 2025-09-08T01:33:42,313 # Package would be ignored # 2025-09-08T01:33:42,313 ############################ 2025-09-08T01:33:42,313 Python recognizes 'RASPA2.share.raspa.molecules.TraPPE' as an importable package[^1], 2025-09-08T01:33:42,314 but it is absent from setuptools' `packages` configuration. 2025-09-08T01:33:42,314 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T01:33:42,314 package, please make sure that 'RASPA2.share.raspa.molecules.TraPPE' is explicitly added 2025-09-08T01:33:42,314 to the `packages` configuration field. 2025-09-08T01:33:42,314 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T01:33:42,314 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T01:33:42,314 instead of `find_packages(...)`/`find:`). 2025-09-08T01:33:42,314 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T01:33:42,315 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T01:33:42,315 If you don't want 'RASPA2.share.raspa.molecules.TraPPE' to be distributed and are 2025-09-08T01:33:42,315 already explicitly excluding 'RASPA2.share.raspa.molecules.TraPPE' via 2025-09-08T01:33:42,315 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T01:33:42,315 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T01:33:42,315 combination with a more fine grained `package-data` configuration. 2025-09-08T01:33:42,315 You can read more about "package data files" on setuptools documentation page: 2025-09-08T01:33:42,315 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T01:33:42,316 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T01:33:42,316 even if it does not contain any `.py` files. 2025-09-08T01:33:42,316 On the other hand, currently there is no concept of package data 2025-09-08T01:33:42,316 directory, all directories are treated like packages. 2025-09-08T01:33:42,316 ******************************************************************************** 2025-09-08T01:33:42,316 !! 2025-09-08T01:33:42,316 check.warn(importable) 2025-09-08T01:33:42,316 /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. 2025-09-08T01:33:42,316 !! 2025-09-08T01:33:42,317 ******************************************************************************** 2025-09-08T01:33:42,317 ############################ 2025-09-08T01:33:42,317 # Package would be ignored # 2025-09-08T01:33:42,317 ############################ 2025-09-08T01:33:42,317 Python recognizes 'RASPA2.share.raspa.molecules' as an importable package[^1], 2025-09-08T01:33:42,317 but it is absent from setuptools' `packages` configuration. 2025-09-08T01:33:42,317 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T01:33:42,317 package, please make sure that 'RASPA2.share.raspa.molecules' is explicitly added 2025-09-08T01:33:42,317 to the `packages` configuration field. 2025-09-08T01:33:42,318 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T01:33:42,318 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T01:33:42,318 instead of `find_packages(...)`/`find:`). 2025-09-08T01:33:42,318 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T01:33:42,318 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T01:33:42,318 If you don't want 'RASPA2.share.raspa.molecules' to be distributed and are 2025-09-08T01:33:42,318 already explicitly excluding 'RASPA2.share.raspa.molecules' via 2025-09-08T01:33:42,318 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T01:33:42,319 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T01:33:42,319 combination with a more fine grained `package-data` configuration. 2025-09-08T01:33:42,319 You can read more about "package data files" on setuptools documentation page: 2025-09-08T01:33:42,319 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T01:33:42,319 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T01:33:42,319 even if it does not contain any `.py` files. 2025-09-08T01:33:42,319 On the other hand, currently there is no concept of package data 2025-09-08T01:33:42,319 directory, all directories are treated like packages. 2025-09-08T01:33:42,320 ******************************************************************************** 2025-09-08T01:33:42,320 !! 2025-09-08T01:33:42,320 check.warn(importable) 2025-09-08T01:33:42,320 /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. 2025-09-08T01:33:42,320 !! 2025-09-08T01:33:42,320 ******************************************************************************** 2025-09-08T01:33:42,320 ############################ 2025-09-08T01:33:42,320 # Package would be ignored # 2025-09-08T01:33:42,320 ############################ 2025-09-08T01:33:42,320 Python recognizes 'RASPA2.share.raspa.structures.block' as an importable package[^1], 2025-09-08T01:33:42,321 but it is absent from setuptools' `packages` configuration. 2025-09-08T01:33:42,321 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T01:33:42,321 package, please make sure that 'RASPA2.share.raspa.structures.block' is explicitly added 2025-09-08T01:33:42,321 to the `packages` configuration field. 2025-09-08T01:33:42,321 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T01:33:42,321 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T01:33:42,321 instead of `find_packages(...)`/`find:`). 2025-09-08T01:33:42,321 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T01:33:42,322 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T01:33:42,322 If you don't want 'RASPA2.share.raspa.structures.block' to be distributed and are 2025-09-08T01:33:42,322 already explicitly excluding 'RASPA2.share.raspa.structures.block' via 2025-09-08T01:33:42,322 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T01:33:42,322 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T01:33:42,322 combination with a more fine grained `package-data` configuration. 2025-09-08T01:33:42,322 You can read more about "package data files" on setuptools documentation page: 2025-09-08T01:33:42,322 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T01:33:42,323 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T01:33:42,323 even if it does not contain any `.py` files. 2025-09-08T01:33:42,323 On the other hand, currently there is no concept of package data 2025-09-08T01:33:42,323 directory, all directories are treated like packages. 2025-09-08T01:33:42,323 ******************************************************************************** 2025-09-08T01:33:42,323 !! 2025-09-08T01:33:42,323 check.warn(importable) 2025-09-08T01:33:42,323 /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. 2025-09-08T01:33:42,323 !! 2025-09-08T01:33:42,324 ******************************************************************************** 2025-09-08T01:33:42,324 ############################ 2025-09-08T01:33:42,324 # Package would be ignored # 2025-09-08T01:33:42,324 ############################ 2025-09-08T01:33:42,324 Python recognizes 'RASPA2.share.raspa.structures.cif' as an importable package[^1], 2025-09-08T01:33:42,324 but it is absent from setuptools' `packages` configuration. 2025-09-08T01:33:42,324 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T01:33:42,324 package, please make sure that 'RASPA2.share.raspa.structures.cif' is explicitly added 2025-09-08T01:33:42,324 to the `packages` configuration field. 2025-09-08T01:33:42,325 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T01:33:42,325 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T01:33:42,325 instead of `find_packages(...)`/`find:`). 2025-09-08T01:33:42,325 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T01:33:42,325 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T01:33:42,325 If you don't want 'RASPA2.share.raspa.structures.cif' to be distributed and are 2025-09-08T01:33:42,325 already explicitly excluding 'RASPA2.share.raspa.structures.cif' via 2025-09-08T01:33:42,325 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T01:33:42,325 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T01:33:42,326 combination with a more fine grained `package-data` configuration. 2025-09-08T01:33:42,326 You can read more about "package data files" on setuptools documentation page: 2025-09-08T01:33:42,326 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T01:33:42,326 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T01:33:42,326 even if it does not contain any `.py` files. 2025-09-08T01:33:42,326 On the other hand, currently there is no concept of package data 2025-09-08T01:33:42,326 directory, all directories are treated like packages. 2025-09-08T01:33:42,327 ******************************************************************************** 2025-09-08T01:33:42,327 !! 2025-09-08T01:33:42,327 check.warn(importable) 2025-09-08T01:33:42,327 /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. 2025-09-08T01:33:42,327 !! 2025-09-08T01:33:42,327 ******************************************************************************** 2025-09-08T01:33:42,327 ############################ 2025-09-08T01:33:42,327 # Package would be ignored # 2025-09-08T01:33:42,327 ############################ 2025-09-08T01:33:42,327 Python recognizes 'RASPA2.share.raspa.structures.ions' as an importable package[^1], 2025-09-08T01:33:42,328 but it is absent from setuptools' `packages` configuration. 2025-09-08T01:33:42,328 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-08T01:33:42,328 package, please make sure that 'RASPA2.share.raspa.structures.ions' is explicitly added 2025-09-08T01:33:42,328 to the `packages` configuration field. 2025-09-08T01:33:42,328 Alternatively, you can also rely on setuptools' discovery methods 2025-09-08T01:33:42,328 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-08T01:33:42,328 instead of `find_packages(...)`/`find:`). 2025-09-08T01:33:42,328 You can read more about "package discovery" on setuptools documentation page: 2025-09-08T01:33:42,329 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-08T01:33:42,329 If you don't want 'RASPA2.share.raspa.structures.ions' to be distributed and are 2025-09-08T01:33:42,329 already explicitly excluding 'RASPA2.share.raspa.structures.ions' via 2025-09-08T01:33:42,329 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-08T01:33:42,329 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-08T01:33:42,329 combination with a more fine grained `package-data` configuration. 2025-09-08T01:33:42,329 You can read more about "package data files" on setuptools documentation page: 2025-09-08T01:33:42,329 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-08T01:33:42,330 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-08T01:33:42,330 even if it does not contain any `.py` files. 2025-09-08T01:33:42,330 On the other hand, currently there is no concept of package data 2025-09-08T01:33:42,330 directory, all directories are treated like packages. 2025-09-08T01:33:42,330 ******************************************************************************** 2025-09-08T01:33:42,330 !! 2025-09-08T01:33:42,330 check.warn(importable) 2025-09-08T01:33:42,339 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2025-09-08T01:33:42,340 copying ./forcefield/AmirjalayerSchmid/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2025-09-08T01:33:42,340 copying ./forcefield/AmirjalayerSchmid/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2025-09-08T01:33:42,341 copying ./forcefield/AmirjalayerSchmid/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2025-09-08T01:33:42,342 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2025-09-08T01:33:42,342 copying ./forcefield/CastilloVlugtCalero2009/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2025-09-08T01:33:42,342 copying ./forcefield/CastilloVlugtCalero2009/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2025-09-08T01:33:42,343 copying ./forcefield/CastilloVlugtCalero2009/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2025-09-08T01:33:42,343 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellCatlow 2025-09-08T01:33:42,344 copying ./forcefield/CoreShellCatlow/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellCatlow 2025-09-08T01:33:42,344 copying ./forcefield/CoreShellCatlow/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellCatlow 2025-09-08T01:33:42,345 copying ./forcefield/CoreShellCatlow/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellCatlow 2025-09-08T01:33:42,345 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2025-09-08T01:33:42,346 copying ./forcefield/CoreShellSastreGale2005/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2025-09-08T01:33:42,346 copying ./forcefield/CoreShellSastreGale2005/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2025-09-08T01:33:42,347 copying ./forcefield/CoreShellSastreGale2005/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2025-09-08T01:33:42,347 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2025-09-08T01:33:42,347 copying ./forcefield/CoreShellSchroderSauer/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2025-09-08T01:33:42,348 copying ./forcefield/CoreShellSchroderSauer/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2025-09-08T01:33:42,348 copying ./forcefield/CoreShellSchroderSauer/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2025-09-08T01:33:42,349 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CrystalGenerator 2025-09-08T01:33:42,349 copying ./forcefield/CrystalGenerator/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CrystalGenerator 2025-09-08T01:33:42,350 copying ./forcefield/CrystalGenerator/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CrystalGenerator 2025-09-08T01:33:42,350 copying ./forcefield/CrystalGenerator/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CrystalGenerator 2025-09-08T01:33:42,351 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2025-09-08T01:33:42,351 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2025-09-08T01:33:42,352 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2025-09-08T01:33:42,352 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-1/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2025-09-08T01:33:42,353 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2025-09-08T01:33:42,353 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2025-09-08T01:33:42,353 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2025-09-08T01:33:42,354 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-10/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2025-09-08T01:33:42,354 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2025-09-08T01:33:42,355 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2025-09-08T01:33:42,355 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2025-09-08T01:33:42,356 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-16/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2025-09-08T01:33:42,356 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2025-09-08T01:33:42,356 copying ./forcefield/Dubbeldam2012MIL-100/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2025-09-08T01:33:42,357 copying ./forcefield/Dubbeldam2012MIL-100/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2025-09-08T01:33:42,357 copying ./forcefield/Dubbeldam2012MIL-100/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2025-09-08T01:33:42,358 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2025-09-08T01:33:42,358 copying ./forcefield/Dubbeldam2012MIL-101/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2025-09-08T01:33:42,359 copying ./forcefield/Dubbeldam2012MIL-101/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2025-09-08T01:33:42,359 copying ./forcefield/Dubbeldam2012MIL-101/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2025-09-08T01:33:42,360 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2025-09-08T01:33:42,360 copying ./forcefield/Dzubak2012-IRMOF-1/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2025-09-08T01:33:42,361 copying ./forcefield/Dzubak2012-IRMOF-1/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2025-09-08T01:33:42,361 copying ./forcefield/Dzubak2012-IRMOF-1/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2025-09-08T01:33:42,362 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2025-09-08T01:33:42,362 copying ./forcefield/Dzubak2012-MgMOF-74/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2025-09-08T01:33:42,362 copying ./forcefield/Dzubak2012-MgMOF-74/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2025-09-08T01:33:42,363 copying ./forcefield/Dzubak2012-MgMOF-74/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2025-09-08T01:33:42,363 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2025-09-08T01:33:42,364 copying ./forcefield/Dzubak2012-MgMOF-74-extended/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2025-09-08T01:33:42,364 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 2025-09-08T01:33:42,365 copying ./forcefield/Dzubak2012-MgMOF-74-extended/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2025-09-08T01:33:42,365 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2025-09-08T01:33:42,365 copying ./forcefield/Dzubak2012-ZnMOF-74/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2025-09-08T01:33:42,366 copying ./forcefield/Dzubak2012-ZnMOF-74/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2025-09-08T01:33:42,366 copying ./forcefield/Dzubak2012-ZnMOF-74/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2025-09-08T01:33:42,367 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GarciaPerez2006 2025-09-08T01:33:42,367 copying ./forcefield/GarciaPerez2006/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GarciaPerez2006 2025-09-08T01:33:42,368 copying ./forcefield/GarciaPerez2006/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GarciaPerez2006 2025-09-08T01:33:42,368 copying ./forcefield/GarciaPerez2006/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GarciaPerez2006 2025-09-08T01:33:42,369 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GenericMOFs 2025-09-08T01:33:42,369 copying ./forcefield/GenericMOFs/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GenericMOFs 2025-09-08T01:33:42,370 copying ./forcefield/GenericMOFs/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GenericMOFs 2025-09-08T01:33:42,370 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GenericZeolites 2025-09-08T01:33:42,370 copying ./forcefield/GenericZeolites/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GenericZeolites 2025-09-08T01:33:42,371 copying ./forcefield/GenericZeolites/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GenericZeolites 2025-09-08T01:33:42,371 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2025-09-08T01:33:42,372 copying ./forcefield/MgMOF-74-Yazaydin/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2025-09-08T01:33:42,372 copying ./forcefield/MgMOF-74-Yazaydin/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2025-09-08T01:33:42,373 copying ./forcefield/MgMOF-74-Yazaydin/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2025-09-08T01:33:42,373 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Nicholas 2025-09-08T01:33:42,373 copying ./forcefield/Nicholas/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Nicholas 2025-09-08T01:33:42,374 copying ./forcefield/Nicholas/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Nicholas 2025-09-08T01:33:42,374 copying ./forcefield/Nicholas/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Nicholas 2025-09-08T01:33:42,375 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Pascual2004 2025-09-08T01:33:42,375 copying ./forcefield/Pascual2004/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Pascual2004 2025-09-08T01:33:42,376 copying ./forcefield/Pascual2004/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Pascual2004 2025-09-08T01:33:42,376 copying ./forcefield/Pascual2004/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Pascual2004 2025-09-08T01:33:42,377 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2025-09-08T01:33:42,377 copying ./forcefield/RigidIonKramer1991/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2025-09-08T01:33:42,377 copying ./forcefield/RigidIonKramer1991/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2025-09-08T01:33:42,378 copying ./forcefield/RigidIonKramer1991/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2025-09-08T01:33:42,378 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/TraPPE 2025-09-08T01:33:42,379 copying ./forcefield/TraPPE/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/TraPPE 2025-09-08T01:33:42,379 copying ./forcefield/TraPPE/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/TraPPE 2025-09-08T01:33:42,380 copying ./forcefield/TraPPE/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/TraPPE 2025-09-08T01:33:42,380 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/AmirjalayerSchmid 2025-09-08T01:33:42,380 copying ./framework/AmirjalayerSchmid/framework.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/AmirjalayerSchmid 2025-09-08T01:33:42,381 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/CoreShellCatlow 2025-09-08T01:33:42,381 copying ./framework/CoreShellCatlow/framework.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/CoreShellCatlow 2025-09-08T01:33:42,382 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/CoreShellSastreGale2005 2025-09-08T01:33:42,382 copying ./framework/CoreShellSastreGale2005/framework.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/CoreShellSastreGale2005 2025-09-08T01:33:42,382 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/CoreShellSchroderSauer 2025-09-08T01:33:42,383 copying ./framework/CoreShellSchroderSauer/framework.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/CoreShellSchroderSauer 2025-09-08T01:33:42,383 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Demontis 2025-09-08T01:33:42,383 copying ./framework/Demontis/framework.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Demontis 2025-09-08T01:33:42,384 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/DemontisModified 2025-09-08T01:33:42,384 copying ./framework/DemontisModified/framework.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/DemontisModified 2025-09-08T01:33:42,385 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-1 2025-09-08T01:33:42,385 copying ./framework/Dubbeldam2007FlexibleIRMOF-1/framework.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-1 2025-09-08T01:33:42,385 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-10 2025-09-08T01:33:42,386 copying ./framework/Dubbeldam2007FlexibleIRMOF-10/framework.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-10 2025-09-08T01:33:42,386 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-16 2025-09-08T01:33:42,386 copying ./framework/Dubbeldam2007FlexibleIRMOF-16/framework.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-16 2025-09-08T01:33:42,387 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Nicholas 2025-09-08T01:33:42,387 copying ./framework/Nicholas/framework.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Nicholas 2025-09-08T01:33:42,388 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/NicholasModified 2025-09-08T01:33:42,388 copying ./framework/NicholasModified/framework.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/NicholasModified 2025-09-08T01:33:42,388 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2025-09-08T01:33:42,389 copying ./molecules/CastilloVlugtCalero2009/benzene.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2025-09-08T01:33:42,389 copying ./molecules/CastilloVlugtCalero2009/m-xylene.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2025-09-08T01:33:42,390 copying ./molecules/CastilloVlugtCalero2009/o-xylene.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2025-09-08T01:33:42,390 copying ./molecules/CastilloVlugtCalero2009/p-xylene.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2025-09-08T01:33:42,391 copying ./molecules/CastilloVlugtCalero2009/toluene.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2025-09-08T01:33:42,391 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/EPM2 2025-09-08T01:33:42,391 copying ./molecules/EPM2/CO2.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/EPM2 2025-09-08T01:33:42,392 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,392 copying ./molecules/TraPPE/1-butene.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,393 copying ./molecules/TraPPE/2-cis-butene.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,393 copying ./molecules/TraPPE/2-ethyl-2-hexenal-cis.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,394 copying ./molecules/TraPPE/2-ethyl-2-hexenal-trans.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,394 copying ./molecules/TraPPE/2-methylbutane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,395 copying ./molecules/TraPPE/2-methylheptane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,395 copying ./molecules/TraPPE/2-methylhexane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,396 copying ./molecules/TraPPE/2-methylpentane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,396 copying ./molecules/TraPPE/2-trans-butene.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,397 copying ./molecules/TraPPE/22-dimethylbutane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,397 copying ./molecules/TraPPE/22-dimethylhexane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,398 copying ./molecules/TraPPE/22-dimethylpentane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,398 copying ./molecules/TraPPE/223-trimethylbutane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,399 copying ./molecules/TraPPE/224-trimethylpentane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,399 copying ./molecules/TraPPE/22dmC8.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,400 copying ./molecules/TraPPE/23-dimethylbutane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,400 copying ./molecules/TraPPE/23-dimethylhexane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,401 copying ./molecules/TraPPE/23-dimethylpentane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,401 copying ./molecules/TraPPE/24-dimethylhexane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,402 copying ./molecules/TraPPE/24-dimethylpentane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,402 copying ./molecules/TraPPE/24dmC8.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,403 copying ./molecules/TraPPE/25-dimethylhexane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,403 copying ./molecules/TraPPE/27dmC8.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,404 copying ./molecules/TraPPE/2mC9.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,404 copying ./molecules/TraPPE/3-methylheptane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,405 copying ./molecules/TraPPE/3-methylhexane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,405 copying ./molecules/TraPPE/3-methylpentane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,406 copying ./molecules/TraPPE/33-dimethylhexane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,406 copying ./molecules/TraPPE/33-dimethylpentane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,407 copying ./molecules/TraPPE/3mC9.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,407 copying ./molecules/TraPPE/4-methylheptane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,408 copying ./molecules/TraPPE/44methylethyloctane_L.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,409 copying ./molecules/TraPPE/44methylethyloctane_R.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,409 copying ./molecules/TraPPE/4mC9.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,410 copying ./molecules/TraPPE/AsH3.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,410 copying ./molecules/TraPPE/BDC.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,411 copying ./molecules/TraPPE/C1.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,411 copying ./molecules/TraPPE/C10.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,412 copying ./molecules/TraPPE/C11.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,412 copying ./molecules/TraPPE/C12.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,413 copying ./molecules/TraPPE/C13.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,413 copying ./molecules/TraPPE/C14.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,414 copying ./molecules/TraPPE/C15.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,414 copying ./molecules/TraPPE/C16.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,415 copying ./molecules/TraPPE/C17.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,415 copying ./molecules/TraPPE/C18.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,416 copying ./molecules/TraPPE/C19.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,416 copying ./molecules/TraPPE/C2.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,417 copying ./molecules/TraPPE/C20.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,417 copying ./molecules/TraPPE/C21.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,418 copying ./molecules/TraPPE/C22.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,418 copying ./molecules/TraPPE/C23.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,419 copying ./molecules/TraPPE/C24.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,419 copying ./molecules/TraPPE/C25.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,420 copying ./molecules/TraPPE/C26.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,420 copying ./molecules/TraPPE/C27.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,421 copying ./molecules/TraPPE/C28.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,422 copying ./molecules/TraPPE/C2H2.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,422 copying ./molecules/TraPPE/C3.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,423 copying ./molecules/TraPPE/C4.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,423 copying ./molecules/TraPPE/C5.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,424 copying ./molecules/TraPPE/C6.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,424 copying ./molecules/TraPPE/C7.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,425 copying ./molecules/TraPPE/C8.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,426 copying ./molecules/TraPPE/C9.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,426 copying ./molecules/TraPPE/CO2.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,427 copying ./molecules/TraPPE/Cl.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,427 copying ./molecules/TraPPE/H2.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,428 copying ./molecules/TraPPE/H2S.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,428 copying ./molecules/TraPPE/IonN.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,429 copying ./molecules/TraPPE/IonP.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,429 copying ./molecules/TraPPE/LJ1.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,430 copying ./molecules/TraPPE/LJ2.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,430 copying ./molecules/TraPPE/N2.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,431 copying ./molecules/TraPPE/Na.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,431 copying ./molecules/TraPPE/NaCl.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,432 copying ./molecules/TraPPE/O2.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,432 copying ./molecules/TraPPE/PH3.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,433 copying ./molecules/TraPPE/argon.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,433 copying ./molecules/TraPPE/benzene.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,434 copying ./molecules/TraPPE/butane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,434 copying ./molecules/TraPPE/calcium.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,435 copying ./molecules/TraPPE/chloride.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,435 copying ./molecules/TraPPE/chromene_R_flexible.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,436 copying ./molecules/TraPPE/decane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,436 copying ./molecules/TraPPE/dimethylpropane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,437 copying ./molecules/TraPPE/dodecane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,437 copying ./molecules/TraPPE/ethane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,438 copying ./molecules/TraPPE/ethanol.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,438 copying ./molecules/TraPPE/ethene.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,439 copying ./molecules/TraPPE/formaldehyde.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,439 copying ./molecules/TraPPE/helium.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,440 copying ./molecules/TraPPE/heptane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,440 copying ./molecules/TraPPE/hexadecane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,441 copying ./molecules/TraPPE/hexane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,441 copying ./molecules/TraPPE/hydrogen.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,442 copying ./molecules/TraPPE/isobutane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,442 copying ./molecules/TraPPE/isooctane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,443 copying ./molecules/TraPPE/kalium.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,443 copying ./molecules/TraPPE/krypton.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,444 copying ./molecules/TraPPE/methane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,444 copying ./molecules/TraPPE/methanol.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,445 copying ./molecules/TraPPE/neopentane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,445 copying ./molecules/TraPPE/nonane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,446 copying ./molecules/TraPPE/none.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,446 copying ./molecules/TraPPE/octane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,447 copying ./molecules/TraPPE/pentane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,447 copying ./molecules/TraPPE/propane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,448 copying ./molecules/TraPPE/propene.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,448 copying ./molecules/TraPPE/sodium.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,449 copying ./molecules/TraPPE/undecane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,449 copying ./molecules/TraPPE/water.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,450 copying ./molecules/TraPPE/xenon.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-08T01:33:42,450 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-EH 2025-09-08T01:33:42,451 copying ./molecules/TraPPE-EH/methane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-EH 2025-09-08T01:33:42,451 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-08T01:33:42,451 copying ./molecules/TraPPE-UA/2-methylbutane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-08T01:33:42,452 copying ./molecules/TraPPE-UA/2-methylpentane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-08T01:33:42,452 copying ./molecules/TraPPE-UA/CO2.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-08T01:33:42,453 copying ./molecules/TraPPE-UA/butane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-08T01:33:42,453 copying ./molecules/TraPPE-UA/dimethylpropane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-08T01:33:42,454 copying ./molecules/TraPPE-UA/ethane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-08T01:33:42,454 copying ./molecules/TraPPE-UA/heptane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-08T01:33:42,455 copying ./molecules/TraPPE-UA/isobutane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-08T01:33:42,455 copying ./molecules/TraPPE-UA/methane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-08T01:33:42,456 copying ./molecules/TraPPE-UA/pentane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-08T01:33:42,456 copying ./molecules/TraPPE-UA/propane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-08T01:33:42,457 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T01:33:42,457 copying ./structures/block/ATS.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T01:33:42,458 copying ./structures/block/BOG_SI.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T01:33:42,458 copying ./structures/block/CHA_SI.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T01:33:42,459 copying ./structures/block/DDR.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T01:33:42,459 copying ./structures/block/DDR_ortho.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T01:33:42,460 copying ./structures/block/ERI_SI.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T01:33:42,460 copying ./structures/block/FAU.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T01:33:42,461 copying ./structures/block/FER.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T01:33:42,461 copying ./structures/block/GME.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T01:33:42,462 copying ./structures/block/ITQ-12.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T01:33:42,462 copying ./structures/block/ITQ-29.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T01:33:42,463 copying ./structures/block/ITQ-3.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T01:33:42,463 copying ./structures/block/LTA_SI.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T01:33:42,464 copying ./structures/block/LTL_SI.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T01:33:42,464 copying ./structures/block/MFI_Olson.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T01:33:42,465 copying ./structures/block/MFI_SI.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T01:33:42,465 copying ./structures/block/MFI_mono.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T01:33:42,466 copying ./structures/block/MOR_SI.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T01:33:42,466 copying ./structures/block/MTW.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T01:33:42,467 copying ./structures/block/TON.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T01:33:42,467 copying ./structures/block/test.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-08T01:33:42,468 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,468 copying ./structures/cif/AEL.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,469 copying ./structures/cif/AFI_SI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,469 copying ./structures/cif/AFX_SI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,470 copying ./structures/cif/ATS.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,470 copying ./structures/cif/AlPO-17.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,471 copying ./structures/cif/AlPO-5.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,471 copying ./structures/cif/BEA.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,472 copying ./structures/cif/BOG_SI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,472 copying ./structures/cif/CAN-12.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,473 copying ./structures/cif/CFI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,473 copying ./structures/cif/CHA_SI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,474 copying ./structures/cif/CHA_SI_mono.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,474 copying ./structures/cif/COF-1.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,475 copying ./structures/cif/COF-102.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,475 copying ./structures/cif/COF-103.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,476 copying ./structures/cif/COF-105.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,476 copying ./structures/cif/COF-108.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,477 copying ./structures/cif/COF-202.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,477 copying ./structures/cif/COF-300.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,478 copying ./structures/cif/COF-5.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,478 copying ./structures/cif/CON.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,479 copying ./structures/cif/Cd3BTB2.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,479 copying ./structures/cif/Co(2,6-NDP).cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,480 copying ./structures/cif/Co-DOBDC.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,480 copying ./structures/cif/CoBDP-Dubbeldam.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,481 copying ./structures/cif/CoBDP.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,481 copying ./structures/cif/Cu-BTC.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,482 copying ./structures/cif/DDR.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,482 copying ./structures/cif/DON.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,483 copying ./structures/cif/EMT.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,483 copying ./structures/cif/ERI_SI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,484 copying ./structures/cif/FAU_SI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,484 copying ./structures/cif/FER.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,485 copying ./structures/cif/GME.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,485 copying ./structures/cif/IRMOF-1-Ar.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,486 copying ./structures/cif/IRMOF-1.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,486 copying ./structures/cif/IRMOF-10.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,487 copying ./structures/cif/IRMOF-11.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,488 copying ./structures/cif/IRMOF-12.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,489 copying ./structures/cif/IRMOF-13.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,490 copying ./structures/cif/IRMOF-14.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,490 copying ./structures/cif/IRMOF-15.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,491 copying ./structures/cif/IRMOF-16.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,491 copying ./structures/cif/IRMOF-2.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,492 copying ./structures/cif/IRMOF-3.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,493 copying ./structures/cif/IRMOF-4.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,494 copying ./structures/cif/IRMOF-5.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,494 copying ./structures/cif/IRMOF-6.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,495 copying ./structures/cif/IRMOF-7.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,496 copying ./structures/cif/IRMOF-8.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,496 copying ./structures/cif/IRMOF-9.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,497 copying ./structures/cif/ISV.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,497 copying ./structures/cif/ITQ-1.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,498 copying ./structures/cif/ITQ-12.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,498 copying ./structures/cif/ITQ-29.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,499 copying ./structures/cif/ITQ-3.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,499 copying ./structures/cif/ITQ-7.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,500 copying ./structures/cif/KFI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,500 copying ./structures/cif/LAU.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,501 copying ./structures/cif/LEV.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,501 copying ./structures/cif/LTA4A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,502 copying ./structures/cif/LTA5A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,502 copying ./structures/cif/LTA_SI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,503 copying ./structures/cif/LTL_SI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,503 copying ./structures/cif/MAF-X8.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,504 copying ./structures/cif/MAZ.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,505 copying ./structures/cif/MEI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,505 copying ./structures/cif/MEL.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,506 copying ./structures/cif/MFI_SI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,506 copying ./structures/cif/MFI_SI_Olson.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,507 copying ./structures/cif/MFI_SI_mono.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,507 copying ./structures/cif/MFI_para.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,508 copying ./structures/cif/MFS.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,508 copying ./structures/cif/MIL-100-primitive.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,510 copying ./structures/cif/MIL-100.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,513 copying ./structures/cif/MIL-101-primitive.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,514 copying ./structures/cif/MIL-101.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,518 copying ./structures/cif/MIL-140A-DFT.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,519 copying ./structures/cif/MIL-140B-DFT.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,519 copying ./structures/cif/MIL-140C-DFT.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,520 copying ./structures/cif/MIL-140D-DFT.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,520 copying ./structures/cif/MIL-47.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,521 copying ./structures/cif/MIL-53(Cr)ht.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,521 copying ./structures/cif/MIL-53(Cr)lt.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,522 copying ./structures/cif/MIL-88A-dry.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,522 copying ./structures/cif/MIL-88A-open.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,523 copying ./structures/cif/MIL-88B-dry.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,523 copying ./structures/cif/MIL-88B-open.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,524 copying ./structures/cif/MIL-88C-dry.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,524 copying ./structures/cif/MIL-88C-open.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,525 copying ./structures/cif/MIL-88D-dry.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,525 copying ./structures/cif/MIL-88D-open.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,526 copying ./structures/cif/MOF-1-Dybtsev-dmol.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,526 copying ./structures/cif/MOF-177.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,527 copying ./structures/cif/MOF-177_ortho.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,528 copying ./structures/cif/MOF-200.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,529 copying ./structures/cif/MOF-205.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,529 copying ./structures/cif/MOF-210-primitive.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,530 copying ./structures/cif/MOF-210.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,531 copying ./structures/cif/MOF-69c.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,531 copying ./structures/cif/MOF-70.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,532 copying ./structures/cif/MOF-72.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,532 copying ./structures/cif/MOR_SI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,533 copying ./structures/cif/MTW_SI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,533 copying ./structures/cif/Mg-DOBDC.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,534 copying ./structures/cif/MgMOF-74-VASP.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,534 copying ./structures/cif/MgMOF-74-extended-VASP.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,535 copying ./structures/cif/MgMOF-74.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,535 copying ./structures/cif/NU-100SP-primitive.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,536 copying ./structures/cif/NU-100SP.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,537 copying ./structures/cif/NU-108-Cu-primitive.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,538 copying ./structures/cif/NU-108-Cu.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,539 copying ./structures/cif/NU-108-Zn.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,539 copying ./structures/cif/NaX.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,540 copying ./structures/cif/Ni-DOBDC.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,540 copying ./structures/cif/OFF.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,541 copying ./structures/cif/PAU.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,541 copying ./structures/cif/PCN-60.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,542 copying ./structures/cif/PCN-61.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,542 copying ./structures/cif/PCN-68-primitive.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,543 copying ./structures/cif/PCN-68.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,544 copying ./structures/cif/RHO.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,544 copying ./structures/cif/SAPO-47.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,545 copying ./structures/cif/SAPO-56.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,545 copying ./structures/cif/SFF.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,546 copying ./structures/cif/SOD.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,546 copying ./structures/cif/STF.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,547 copying ./structures/cif/SWNT-1-14.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,548 copying ./structures/cif/SWNT-1-23.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,549 copying ./structures/cif/SWNT-10-11.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,550 copying ./structures/cif/SWNT-10-13.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,550 copying ./structures/cif/SWNT-11-18.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,552 copying ./structures/cif/SWNT-3-11.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,552 copying ./structures/cif/SWNT-3-20.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,553 copying ./structures/cif/SWNT-3-9.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,554 copying ./structures/cif/SWNT-4-14.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,554 copying ./structures/cif/TON.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,555 copying ./structures/cif/UIO-66.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,556 copying ./structures/cif/UMCM-1.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,556 copying ./structures/cif/VFI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,557 copying ./structures/cif/ZIF-1.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,557 copying ./structures/cif/ZIF-10.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,558 copying ./structures/cif/ZIF-11.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,559 copying ./structures/cif/ZIF-12.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,560 copying ./structures/cif/ZIF-2.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,560 copying ./structures/cif/ZIF-20.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,562 copying ./structures/cif/ZIF-3.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,562 copying ./structures/cif/ZIF-4.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,563 copying ./structures/cif/ZIF-5.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,563 copying ./structures/cif/ZIF-6.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,564 copying ./structures/cif/ZIF-68.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,564 copying ./structures/cif/ZIF-69-crystal.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,565 copying ./structures/cif/ZIF-69.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,566 copying ./structures/cif/ZIF-7.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,566 copying ./structures/cif/ZIF-71.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,567 copying ./structures/cif/ZIF-77.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,568 copying ./structures/cif/ZIF-8.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,568 copying ./structures/cif/ZIF-80.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,569 copying ./structures/cif/ZIF-9.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,569 copying ./structures/cif/ZIF-90.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,570 copying ./structures/cif/ZIF-93.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,570 copying ./structures/cif/ZIF-96.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,571 copying ./structures/cif/ZIF-97.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,571 copying ./structures/cif/Zn-DOBDC.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,572 copying ./structures/cif/ZnBDC.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,572 copying ./structures/cif/ZnBDCdabco.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,573 copying ./structures/cif/ZnHBDC.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,573 copying ./structures/cif/ZnMOF-74-VASP.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,574 copying ./structures/cif/ZnMOF-74.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,574 copying ./structures/cif/Zr-TPDC.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,575 copying ./structures/cif/alpha-quartz.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,576 copying ./structures/cif/coesite.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,576 copying ./structures/cif/graphite-sheet-10.25A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,577 copying ./structures/cif/graphite-sheet-10.65A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,578 copying ./structures/cif/graphite-sheet-11.0A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,579 copying ./structures/cif/graphite-sheet-11.36A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,579 copying ./structures/cif/graphite-sheet-12.0A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,580 copying ./structures/cif/graphite-sheet-12.78A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,581 copying ./structures/cif/graphite-sheet-13.25A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,582 copying ./structures/cif/graphite-sheet-13.75A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,583 copying ./structures/cif/graphite-sheet-14.2A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,584 copying ./structures/cif/graphite-sheet-15.0A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,584 copying ./structures/cif/graphite-sheet-15.62A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,585 copying ./structures/cif/graphite-sheet-17.04A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,586 copying ./structures/cif/graphite-sheet-18.46A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,588 copying ./structures/cif/graphite-sheet-19.88A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,589 copying ./structures/cif/graphite-sheet-8.52A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,590 copying ./structures/cif/graphite-sheet-9.0A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,590 copying ./structures/cif/graphite-sheet-9.5A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,591 copying ./structures/cif/graphite-sheet-9.94A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,592 copying ./structures/cif/graphite-square-channel-11.36A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,593 copying ./structures/cif/graphite-square-channel-12.78A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,595 copying ./structures/cif/graphite-square-channel-14.2A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,596 copying ./structures/cif/graphite-square-channel-15.62A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,597 copying ./structures/cif/graphite-square-channel-17.04A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,599 copying ./structures/cif/graphite-square-channel-18.46A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,601 copying ./structures/cif/graphite-square-channel-19.88A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,602 copying ./structures/cif/graphite-square-channel-8.52A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,603 copying ./structures/cif/graphite-square-channel-9.94A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,605 copying ./structures/cif/graphite.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,605 copying ./structures/cif/graphite_ortho.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,606 copying ./structures/cif/quartz.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-08T01:33:42,606 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/ions 2025-09-08T01:33:42,606 copying ./structures/ions/IRMOF-1-Ar.ions -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/ions 2025-09-08T01:33:42,608 running build_ext 2025-09-08T01:33:42,941 building 'RASPA2.simulations.lib.libraspa2' extension 2025-09-08T01:33:42,949 creating build/temp.linux-armv7l-cpython-313/src 2025-09-08T01:33:42,954 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 2025-09-08T01:33:43,223 src/cbmc.c: In function ‘GrowReservoirMolecule’: 2025-09-08T01:33:43,226 src/cbmc.c:3184:7: warning: unused variable ‘StartingBead’ [-Wunused-variable] 2025-09-08T01:33:43,226 3184 | int StartingBead; 2025-09-08T01:33:43,226 | ^~~~~~~~~~~~ 2025-09-08T01:33:43,230 src/cbmc.c:3182:8: warning: unused variable ‘PreFactor’ [-Wunused-variable] 2025-09-08T01:33:43,230 3182 | REAL PreFactor; 2025-09-08T01:33:43,230 | ^~~~~~~~~ 2025-09-08T01:33:43,234 src/cbmc.c: In function ‘GrowReservoirMolecules’: 2025-09-08T01:33:43,237 src/cbmc.c:3285:7: warning: unused variable ‘StartingBead’ [-Wunused-variable] 2025-09-08T01:33:43,237 3285 | int StartingBead,mol_index; 2025-09-08T01:33:43,237 | ^~~~~~~~~~~~ 2025-09-08T01:33:43,241 src/cbmc.c:3283:8: warning: unused variable ‘PreFactor’ [-Wunused-variable] 2025-09-08T01:33:43,241 3283 | REAL PreFactor; 2025-09-08T01:33:43,241 | ^~~~~~~~~ 2025-09-08T01:33:43,245 src/cbmc.c: In function ‘GrowReservoirMolecules2’: 2025-09-08T01:33:43,248 src/cbmc.c:3395:7: warning: unused variable ‘StartingBead’ [-Wunused-variable] 2025-09-08T01:33:43,249 3395 | int StartingBead,mol_index; 2025-09-08T01:33:43,249 | ^~~~~~~~~~~~ 2025-09-08T01:33:43,252 src/cbmc.c:3393:8: warning: unused variable ‘PreFactor’ [-Wunused-variable] 2025-09-08T01:33:43,252 3393 | REAL PreFactor; 2025-09-08T01:33:43,252 | ^~~~~~~~~ 2025-09-08T01:33:43,395 src/cbmc.c: At top level: 2025-09-08T01:33:43,396 src/cbmc.c:326:13: warning: ‘EnergyCationPermanentDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2025-09-08T01:33:43,396 326 | static REAL EnergyCationPermanentDipolePermanentDipoleFirstBead; 2025-09-08T01:33:43,396 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:33:43,396 src/cbmc.c:325:13: warning: ‘EnergyAdsorbatePermanentDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2025-09-08T01:33:43,396 325 | static REAL EnergyAdsorbatePermanentDipolePermanentDipoleFirstBead; 2025-09-08T01:33:43,396 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:33:43,396 src/cbmc.c:324:13: warning: ‘EnergyHostPermanentDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2025-09-08T01:33:43,396 324 | static REAL EnergyHostPermanentDipolePermanentDipoleFirstBead; 2025-09-08T01:33:43,397 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:33:43,397 src/cbmc.c:323:13: warning: ‘EnergyCationBondDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2025-09-08T01:33:43,397 323 | static REAL EnergyCationBondDipolePermanentDipoleFirstBead; 2025-09-08T01:33:43,397 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:33:43,397 src/cbmc.c:322:13: warning: ‘EnergyAdsorbateBondDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2025-09-08T01:33:43,397 322 | static REAL EnergyAdsorbateBondDipolePermanentDipoleFirstBead; 2025-09-08T01:33:43,397 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:33:43,398 src/cbmc.c:321:13: warning: ‘EnergyHostBondDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2025-09-08T01:33:43,398 321 | static REAL EnergyHostBondDipolePermanentDipoleFirstBead; 2025-09-08T01:33:43,398 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:33:43,398 src/cbmc.c:317:13: warning: ‘EnergyCationChargePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2025-09-08T01:33:43,398 317 | static REAL EnergyCationChargePermanentDipoleFirstBead; 2025-09-08T01:33:43,398 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:33:43,398 src/cbmc.c:316:13: warning: ‘EnergyAdsorbateChargePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2025-09-08T01:33:43,398 316 | static REAL EnergyAdsorbateChargePermanentDipoleFirstBead; 2025-09-08T01:33:43,398 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:33:43,399 src/cbmc.c:315:13: warning: ‘EnergyHostChargePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2025-09-08T01:33:43,399 315 | static REAL EnergyHostChargePermanentDipoleFirstBead; 2025-09-08T01:33:43,399 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:33:43,399 src/cbmc.c:187:13: warning: ‘IntraPermanentDipoles’ defined but not used [-Wunused-variable] 2025-09-08T01:33:43,399 187 | static int *IntraPermanentDipoles; 2025-09-08T01:33:43,399 | ^~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:33:43,399 src/cbmc.c:186:12: warning: ‘NumberOfIntraPermanentDipoles’ defined but not used [-Wunused-variable] 2025-09-08T01:33:43,399 186 | static int NumberOfIntraPermanentDipoles; 2025-09-08T01:33:43,400 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:33:52,129 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 2025-09-08T01:33:52,309 src/charge_equilibration.c: In function ‘SolveMatrix’: 2025-09-08T01:33:52,309 src/charge_equilibration.c:634:8: warning: variable ‘aii’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:52,309 634 | REAL aii,alpha,f,ak; 2025-09-08T01:33:52,309 | ^~~ 2025-09-08T01:33:53,542 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 2025-09-08T01:33:53,822 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 2025-09-08T01:33:54,193 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 2025-09-08T01:33:54,326 src/cubic_spline_1d.c: In function ‘Trapezoidal’: 2025-09-08T01:33:54,326 src/cubic_spline_1d.c:157:18: warning: variable ‘tmp3’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:54,326 157 | REAL tmp1,tmp2,tmp3; 2025-09-08T01:33:54,326 | ^~~~ 2025-09-08T01:33:54,327 src/cubic_spline_1d.c:157:13: warning: variable ‘tmp2’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:54,327 157 | REAL tmp1,tmp2,tmp3; 2025-09-08T01:33:54,327 | ^~~~ 2025-09-08T01:33:54,329 src/cubic_spline_1d.c: In function ‘TrapezoidalWeight’: 2025-09-08T01:33:54,329 src/cubic_spline_1d.c:236:18: warning: variable ‘tmp3’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:54,329 236 | REAL tmp1,tmp2,tmp3; 2025-09-08T01:33:54,329 | ^~~~ 2025-09-08T01:33:54,329 src/cubic_spline_1d.c:236:13: warning: variable ‘tmp2’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:54,329 236 | REAL tmp1,tmp2,tmp3; 2025-09-08T01:33:54,330 | ^~~~ 2025-09-08T01:33:54,330 src/cubic_spline_1d.c:235:15: warning: variable ‘valueb’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:54,330 235 | REAL valuea,valueb; 2025-09-08T01:33:54,330 | ^~~~~~ 2025-09-08T01:33:54,330 src/cubic_spline_1d.c:235:8: warning: variable ‘valuea’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:54,330 235 | REAL valuea,valueb; 2025-09-08T01:33:54,330 | ^~~~~~ 2025-09-08T01:33:54,354 src/cubic_spline_1d.c: In function ‘CreateCubicFittingSpline’: 2025-09-08T01:33:54,355 src/cubic_spline_1d.c:891:7: warning: variable ‘error’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:54,355 891 | int error=7,i; 2025-09-08T01:33:54,355 | ^~~~~ 2025-09-08T01:33:56,341 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 2025-09-08T01:33:57,576 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 2025-09-08T01:33:57,771 src/ewald.c: In function ‘EwaldEnergyIon’: 2025-09-08T01:33:57,771 src/ewald.c:617:11: warning: variable ‘kvecs’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:57,771 617 | VECTOR *kvecs; 2025-09-08T01:33:57,771 | ^~~~~ 2025-09-08T01:33:57,788 src/ewald.c: In function ‘PrecomputeFixedEwaldContributions’: 2025-09-08T01:33:57,788 src/ewald.c:746:29: warning: variable ‘nr_of_coulombic_sites_framework’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:57,788 746 | int nr_of_coulombic_sites,nr_of_coulombic_sites_framework,nr_of_coulombic_sites_adsorbate,nr_of_coulombic_sites_cation; 2025-09-08T01:33:57,789 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:33:57,789 src/ewald.c:741:13: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:57,789 741 | REAL temp,alpha,charge; 2025-09-08T01:33:57,789 | ^~~~~ 2025-09-08T01:33:57,805 src/ewald.c: In function ‘PrecomputeTotalEwaldContributions’: 2025-09-08T01:33:57,807 src/ewald.c:1286:13: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:57,807 1286 | REAL temp,alpha,ksqr,recip_cutoff,charge; 2025-09-08T01:33:57,807 | ^~~~~ 2025-09-08T01:33:57,839 src/ewald.c: In function ‘EwaldFourierEnergy’: 2025-09-08T01:33:57,841 src/ewald.c:1780:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:57,841 1780 | REAL Bt0,Bt1,Bt2,cosA,cosB,cosAB,scaling,scalingA,scalingB; 2025-09-08T01:33:57,841 | ^~~ 2025-09-08T01:33:57,843 src/ewald.c:1758:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:57,843 1758 | int nvec,type_mol,type,typeA,typeB; 2025-09-08T01:33:57,843 | ^~~~~ 2025-09-08T01:33:57,845 src/ewald.c:1758:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:57,845 1758 | int nvec,type_mol,type,typeA,typeB; 2025-09-08T01:33:57,845 | ^~~~~ 2025-09-08T01:33:57,907 src/ewald.c: In function ‘EwaldFourierForce’: 2025-09-08T01:33:57,910 src/ewald.c:2813:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:57,910 2813 | int nvec,type_mol,type,typeA,typeB; 2025-09-08T01:33:57,910 | ^~~~~ 2025-09-08T01:33:57,913 src/ewald.c:2813:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:57,913 2813 | int nvec,type_mol,type,typeA,typeB; 2025-09-08T01:33:57,914 | ^~~~~ 2025-09-08T01:33:57,992 src/ewald.c: In function ‘EwaldFourierBornTerm’: 2025-09-08T01:33:57,998 src/ewald.c:4752:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:57,998 4752 | int nvec,type_mol,type,typeA,typeB; 2025-09-08T01:33:57,998 | ^~~~~ 2025-09-08T01:33:58,004 src/ewald.c:4752:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:58,004 4752 | int nvec,type_mol,type,typeA,typeB; 2025-09-08T01:33:58,004 | ^~~~~ 2025-09-08T01:33:58,040 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbate’: 2025-09-08T01:33:58,049 src/ewald.c:6853:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:58,049 6853 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2025-09-08T01:33:58,049 | ^~~ 2025-09-08T01:33:58,086 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbateRXMC’: 2025-09-08T01:33:58,095 src/ewald.c:7588:7: warning: unused variable ‘typeA’ [-Wunused-variable] 2025-09-08T01:33:58,096 7588 | int typeA; 2025-09-08T01:33:58,096 | ^~~~~ 2025-09-08T01:33:58,105 src/ewald.c:7582:7: warning: variable ‘considered_charged’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:58,105 7582 | int considered_charged; 2025-09-08T01:33:58,105 | ^~~~~~~~~~~~~~~~~~ 2025-09-08T01:33:58,114 src/ewald.c:7581:9: warning: unused variable ‘atom_pointer’ [-Wunused-variable] 2025-09-08T01:33:58,114 7581 | ATOM *atom_pointer; 2025-09-08T01:33:58,114 | ^~~~~~~~~~~~ 2025-09-08T01:33:58,123 src/ewald.c:7580:8: warning: unused variable ‘pair’ [-Wunused-variable] 2025-09-08T01:33:58,123 7580 | PAIR pair; 2025-09-08T01:33:58,123 | ^~~~ 2025-09-08T01:33:58,132 src/ewald.c:7577:28: warning: unused variable ‘posB2’ [-Wunused-variable] 2025-09-08T01:33:58,132 7577 | VECTOR posA1,posA2,posB1,posB2; 2025-09-08T01:33:58,132 | ^~~~~ 2025-09-08T01:33:58,141 src/ewald.c:7577:22: warning: unused variable ‘posB1’ [-Wunused-variable] 2025-09-08T01:33:58,142 7577 | VECTOR posA1,posA2,posB1,posB2; 2025-09-08T01:33:58,142 | ^~~~~ 2025-09-08T01:33:58,151 src/ewald.c:7577:16: warning: unused variable ‘posA2’ [-Wunused-variable] 2025-09-08T01:33:58,151 7577 | VECTOR posA1,posA2,posB1,posB2; 2025-09-08T01:33:58,151 | ^~~~~ 2025-09-08T01:33:58,160 src/ewald.c:7577:10: warning: unused variable ‘posA1’ [-Wunused-variable] 2025-09-08T01:33:58,160 7577 | VECTOR posA1,posA2,posB1,posB2; 2025-09-08T01:33:58,160 | ^~~~~ 2025-09-08T01:33:58,169 src/ewald.c:7576:25: warning: unused variable ‘dipoleB’ [-Wunused-variable] 2025-09-08T01:33:58,169 7576 | VECTOR dipole,dipoleA,dipoleB,rk; 2025-09-08T01:33:58,169 | ^~~~~~~ 2025-09-08T01:33:58,178 src/ewald.c:7576:17: warning: unused variable ‘dipoleA’ [-Wunused-variable] 2025-09-08T01:33:58,178 7576 | VECTOR dipole,dipoleA,dipoleB,rk; 2025-09-08T01:33:58,178 | ^~~~~~~ 2025-09-08T01:33:58,187 src/ewald.c:7568:32: warning: unused variable ‘Bt2’ [-Wunused-variable] 2025-09-08T01:33:58,188 7568 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2025-09-08T01:33:58,188 | ^~~ 2025-09-08T01:33:58,197 src/ewald.c:7568:28: warning: unused variable ‘Bt1’ [-Wunused-variable] 2025-09-08T01:33:58,197 7568 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2025-09-08T01:33:58,197 | ^~~ 2025-09-08T01:33:58,206 src/ewald.c:7568:18: warning: unused variable ‘cosAB’ [-Wunused-variable] 2025-09-08T01:33:58,206 7568 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2025-09-08T01:33:58,206 | ^~~~~ 2025-09-08T01:33:58,215 src/ewald.c:7568:13: warning: unused variable ‘cosB’ [-Wunused-variable] 2025-09-08T01:33:58,215 7568 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2025-09-08T01:33:58,215 | ^~~~ 2025-09-08T01:33:58,224 src/ewald.c:7568:8: warning: unused variable ‘cosA’ [-Wunused-variable] 2025-09-08T01:33:58,224 7568 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2025-09-08T01:33:58,224 | ^~~~ 2025-09-08T01:33:58,233 src/ewald.c:7567:25: warning: unused variable ‘scalingB’ [-Wunused-variable] 2025-09-08T01:33:58,234 7567 | REAL scaling,scalingA,scalingB; 2025-09-08T01:33:58,234 | ^~~~~~~~ 2025-09-08T01:33:58,243 src/ewald.c:7567:16: warning: unused variable ‘scalingA’ [-Wunused-variable] 2025-09-08T01:33:58,243 7567 | REAL scaling,scalingA,scalingB; 2025-09-08T01:33:58,243 | ^~~~~~~~ 2025-09-08T01:33:58,252 src/ewald.c:7567:8: warning: unused variable ‘scaling’ [-Wunused-variable] 2025-09-08T01:33:58,252 7567 | REAL scaling,scalingA,scalingB; 2025-09-08T01:33:58,252 | ^~~~~~~ 2025-09-08T01:33:58,261 src/ewald.c:7564:39: warning: unused variable ‘rr’ [-Wunused-variable] 2025-09-08T01:33:58,261 7564 | REAL alpha,chargeA,chargeB,charge,r,rr; 2025-09-08T01:33:58,261 | ^~ 2025-09-08T01:33:58,270 src/ewald.c:7564:30: warning: unused variable ‘charge’ [-Wunused-variable] 2025-09-08T01:33:58,270 7564 | REAL alpha,chargeA,chargeB,charge,r,rr; 2025-09-08T01:33:58,270 | ^~~~~~ 2025-09-08T01:33:58,279 src/ewald.c:7562:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:58,279 7562 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2025-09-08T01:33:58,280 | ^~~ 2025-09-08T01:33:58,289 src/ewald.c:7557:30: warning: unused variable ‘nr_of_bonddipoles’ [-Wunused-variable] 2025-09-08T01:33:58,289 7557 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2025-09-08T01:33:58,289 | ^~~~~~~~~~~~~~~~~ 2025-09-08T01:33:58,298 src/ewald.c:7557:16: warning: unused variable ‘nr_atoms’ [-Wunused-variable] 2025-09-08T01:33:58,298 7557 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2025-09-08T01:33:58,298 | ^~~~~~~~ 2025-09-08T01:33:58,307 src/ewald.c:7557:7: warning: unused variable ‘type_mol’ [-Wunused-variable] 2025-09-08T01:33:58,307 7557 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2025-09-08T01:33:58,307 | ^~~~~~~~ 2025-09-08T01:33:58,341 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbateRXMC2’: 2025-09-08T01:33:58,351 src/ewald.c:9160:8: warning: unused variable ‘scalingB_old’ [-Wunused-variable] 2025-09-08T01:33:58,351 9160 | REAL scalingB_old; 2025-09-08T01:33:58,352 | ^~~~~~~~~~~~ 2025-09-08T01:33:58,362 src/ewald.c:8464:20: warning: unused variable ‘chargeA_old’ [-Wunused-variable] 2025-09-08T01:33:58,362 8464 | REAL chargeA_new,chargeA_old; 2025-09-08T01:33:58,362 | ^~~~~~~~~~~ 2025-09-08T01:33:58,372 src/ewald.c:8463:21: warning: unused variable ‘scalingA_old’ [-Wunused-variable] 2025-09-08T01:33:58,372 8463 | REAL scalingA_new,scalingA_old; 2025-09-08T01:33:58,372 | ^~~~~~~~~~~~ 2025-09-08T01:33:58,382 src/ewald.c:8462:7: warning: unused variable ‘typeA’ [-Wunused-variable] 2025-09-08T01:33:58,382 8462 | int typeA; 2025-09-08T01:33:58,382 | ^~~~~ 2025-09-08T01:33:58,392 src/ewald.c:8460:7: warning: variable ‘RXMCMoleculeNumbers’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:58,393 8460 | int RXMCMoleculeNumbers[256]; 2025-09-08T01:33:58,393 | ^~~~~~~~~~~~~~~~~~~ 2025-09-08T01:33:58,403 src/ewald.c:8456:7: warning: unused variable ‘considered_charged’ [-Wunused-variable] 2025-09-08T01:33:58,403 8456 | int considered_charged; 2025-09-08T01:33:58,403 | ^~~~~~~~~~~~~~~~~~ 2025-09-08T01:33:58,413 src/ewald.c:8455:9: warning: unused variable ‘atom_pointer’ [-Wunused-variable] 2025-09-08T01:33:58,413 8455 | ATOM *atom_pointer; 2025-09-08T01:33:58,413 | ^~~~~~~~~~~~ 2025-09-08T01:33:58,423 src/ewald.c:8454:8: warning: unused variable ‘pair’ [-Wunused-variable] 2025-09-08T01:33:58,423 8454 | PAIR pair; 2025-09-08T01:33:58,424 | ^~~~ 2025-09-08T01:33:58,434 src/ewald.c:8451:28: warning: unused variable ‘posB2’ [-Wunused-variable] 2025-09-08T01:33:58,434 8451 | VECTOR posA1,posA2,posB1,posB2; 2025-09-08T01:33:58,434 | ^~~~~ 2025-09-08T01:33:58,444 src/ewald.c:8451:22: warning: unused variable ‘posB1’ [-Wunused-variable] 2025-09-08T01:33:58,444 8451 | VECTOR posA1,posA2,posB1,posB2; 2025-09-08T01:33:58,444 | ^~~~~ 2025-09-08T01:33:58,454 src/ewald.c:8451:16: warning: unused variable ‘posA2’ [-Wunused-variable] 2025-09-08T01:33:58,454 8451 | VECTOR posA1,posA2,posB1,posB2; 2025-09-08T01:33:58,454 | ^~~~~ 2025-09-08T01:33:58,464 src/ewald.c:8451:10: warning: unused variable ‘posA1’ [-Wunused-variable] 2025-09-08T01:33:58,464 8451 | VECTOR posA1,posA2,posB1,posB2; 2025-09-08T01:33:58,464 | ^~~~~ 2025-09-08T01:33:58,474 src/ewald.c:8450:25: warning: unused variable ‘dipoleB’ [-Wunused-variable] 2025-09-08T01:33:58,474 8450 | VECTOR dipole,dipoleA,dipoleB,rk; 2025-09-08T01:33:58,475 | ^~~~~~~ 2025-09-08T01:33:58,484 src/ewald.c:8450:17: warning: unused variable ‘dipoleA’ [-Wunused-variable] 2025-09-08T01:33:58,485 8450 | VECTOR dipole,dipoleA,dipoleB,rk; 2025-09-08T01:33:58,485 | ^~~~~~~ 2025-09-08T01:33:58,495 src/ewald.c:8442:32: warning: unused variable ‘Bt2’ [-Wunused-variable] 2025-09-08T01:33:58,495 8442 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2025-09-08T01:33:58,495 | ^~~ 2025-09-08T01:33:58,505 src/ewald.c:8442:28: warning: unused variable ‘Bt1’ [-Wunused-variable] 2025-09-08T01:33:58,505 8442 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2025-09-08T01:33:58,505 | ^~~ 2025-09-08T01:33:58,515 src/ewald.c:8442:18: warning: unused variable ‘cosAB’ [-Wunused-variable] 2025-09-08T01:33:58,515 8442 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2025-09-08T01:33:58,515 | ^~~~~ 2025-09-08T01:33:58,525 src/ewald.c:8442:13: warning: unused variable ‘cosB’ [-Wunused-variable] 2025-09-08T01:33:58,525 8442 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2025-09-08T01:33:58,525 | ^~~~ 2025-09-08T01:33:58,535 src/ewald.c:8442:8: warning: unused variable ‘cosA’ [-Wunused-variable] 2025-09-08T01:33:58,535 8442 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2025-09-08T01:33:58,535 | ^~~~ 2025-09-08T01:33:58,545 src/ewald.c:8441:25: warning: unused variable ‘scalingB’ [-Wunused-variable] 2025-09-08T01:33:58,545 8441 | REAL scaling,scalingA,scalingB; 2025-09-08T01:33:58,545 | ^~~~~~~~ 2025-09-08T01:33:58,555 src/ewald.c:8441:16: warning: unused variable ‘scalingA’ [-Wunused-variable] 2025-09-08T01:33:58,555 8441 | REAL scaling,scalingA,scalingB; 2025-09-08T01:33:58,555 | ^~~~~~~~ 2025-09-08T01:33:58,565 src/ewald.c:8441:8: warning: unused variable ‘scaling’ [-Wunused-variable] 2025-09-08T01:33:58,565 8441 | REAL scaling,scalingA,scalingB; 2025-09-08T01:33:58,566 | ^~~~~~~ 2025-09-08T01:33:58,575 src/ewald.c:8438:39: warning: unused variable ‘rr’ [-Wunused-variable] 2025-09-08T01:33:58,576 8438 | REAL alpha,chargeA,chargeB,charge,r,rr; 2025-09-08T01:33:58,576 | ^~ 2025-09-08T01:33:58,586 src/ewald.c:8438:30: warning: unused variable ‘charge’ [-Wunused-variable] 2025-09-08T01:33:58,586 8438 | REAL alpha,chargeA,chargeB,charge,r,rr; 2025-09-08T01:33:58,586 | ^~~~~~ 2025-09-08T01:33:58,596 src/ewald.c:8436:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:58,596 8436 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2025-09-08T01:33:58,596 | ^~~ 2025-09-08T01:33:58,606 src/ewald.c:8431:30: warning: unused variable ‘nr_of_bonddipoles’ [-Wunused-variable] 2025-09-08T01:33:58,606 8431 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2025-09-08T01:33:58,606 | ^~~~~~~~~~~~~~~~~ 2025-09-08T01:33:58,616 src/ewald.c:8431:16: warning: unused variable ‘nr_atoms’ [-Wunused-variable] 2025-09-08T01:33:58,616 8431 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2025-09-08T01:33:58,616 | ^~~~~~~~ 2025-09-08T01:33:58,626 src/ewald.c:8431:7: warning: unused variable ‘type_mol’ [-Wunused-variable] 2025-09-08T01:33:58,626 8431 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2025-09-08T01:33:58,626 | ^~~~~~~~ 2025-09-08T01:33:58,665 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbateCF’: 2025-09-08T01:33:58,676 src/ewald.c:9231:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:58,676 9231 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2025-09-08T01:33:58,677 | ^~~ 2025-09-08T01:33:58,717 src/ewald.c: In function ‘CalculateEwaldFourierCation’: 2025-09-08T01:33:58,729 src/ewald.c:9940:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:58,730 9940 | REAL fac,energy_charge_cations,energy_charge_adsorbates_cations,energy_charge_framework_cations; 2025-09-08T01:33:58,730 | ^~~ 2025-09-08T01:33:58,778 src/ewald.c: In function ‘CalculateEwaldFourierCationCF’: 2025-09-08T01:33:58,791 src/ewald.c:10649:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:58,791 10649 | REAL fac,energy_charge_cations,energy_charge_adsorbates_cations,energy_charge_framework_cations; 2025-09-08T01:33:58,792 | ^~~ 2025-09-08T01:33:58,828 src/ewald.c: In function ‘CalculateEwaldFourierFrameworkDisplacement’: 2025-09-08T01:33:58,843 src/ewald.c:11490:8: warning: variable ‘NetChargeNew’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:58,843 11490 | REAL NetChargeNew,NetChargeOld; 2025-09-08T01:33:58,843 | ^~~~~~~~~~~~ 2025-09-08T01:33:58,881 src/ewald.c: In function ‘CalculateEwaldFourierFrameworkAtomTranslate’: 2025-09-08T01:33:58,896 src/ewald.c:11973:13: warning: variable ‘TypeA’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:58,896 11973 | int B1,B2,TypeA; 2025-09-08T01:33:58,896 | ^~~~~ 2025-09-08T01:33:58,911 src/ewald.c:11964:13: warning: variable ‘index’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:58,911 11964 | int A1,A2,index,A,B; 2025-09-08T01:33:58,911 | ^~~~~ 2025-09-08T01:33:58,926 src/ewald.c:11960:8: warning: variable ‘NetChargeNew’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:58,926 11960 | REAL NetChargeNew,NetChargeOld; 2025-09-08T01:33:58,926 | ^~~~~~~~~~~~ 2025-09-08T01:33:58,940 src/ewald.c:11956:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:58,941 11956 | REAL fac; 2025-09-08T01:33:58,941 | ^~~ 2025-09-08T01:33:58,955 src/ewald.c:11955:7: warning: variable ‘Type’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:58,955 11955 | int Type; 2025-09-08T01:33:58,955 | ^~~~ 2025-09-08T01:33:58,968 src/ewald.c: In function ‘EwaldFourierElectrostaticPotentialAdsorbate’: 2025-09-08T01:33:58,983 src/ewald.c:12623:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:58,983 12623 | int typeA,typeB,type; 2025-09-08T01:33:58,983 | ^~~~~ 2025-09-08T01:33:58,998 src/ewald.c:12623:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:58,999 12623 | int typeA,typeB,type; 2025-09-08T01:33:58,999 | ^~~~~ 2025-09-08T01:33:59,014 src/ewald.c:12620:11: warning: variable ‘kvecs’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:59,014 12620 | VECTOR *kvecs; 2025-09-08T01:33:59,014 | ^~~~~ 2025-09-08T01:33:59,025 src/ewald.c: In function ‘EwaldFourierElectrostaticPotentialCation’: 2025-09-08T01:33:59,041 src/ewald.c:12789:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:59,041 12789 | int typeA,typeB,type; 2025-09-08T01:33:59,041 | ^~~~~ 2025-09-08T01:33:59,056 src/ewald.c:12789:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:59,057 12789 | int typeA,typeB,type; 2025-09-08T01:33:59,057 | ^~~~~ 2025-09-08T01:33:59,072 src/ewald.c:12786:11: warning: variable ‘kvecs’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:59,072 12786 | VECTOR *kvecs; 2025-09-08T01:33:59,072 | ^~~~~ 2025-09-08T01:33:59,116 src/ewald.c: In function ‘EwaldFourierStaticElectricField’: 2025-09-08T01:33:59,132 src/ewald.c:12959:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:59,132 12959 | int nvec,type_mol,type,typeA,typeB; 2025-09-08T01:33:59,132 | ^~~~~ 2025-09-08T01:33:59,148 src/ewald.c:12959:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:59,148 12959 | int nvec,type_mol,type,typeA,typeB; 2025-09-08T01:33:59,148 | ^~~~~ 2025-09-08T01:33:59,199 src/ewald.c: In function ‘ComputeStaticElectricFieldEwald’: 2025-09-08T01:33:59,216 src/ewald.c:13673:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:59,216 13673 | int nvec,type_mol,type,typeA,typeB; 2025-09-08T01:33:59,216 | ^~~~~ 2025-09-08T01:33:59,233 src/ewald.c:13673:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:59,233 13673 | int nvec,type_mol,type,typeA,typeB; 2025-09-08T01:33:59,233 | ^~~~~ 2025-09-08T01:33:59,262 src/ewald.c: In function ‘ComputeElectricFieldFromInducedDipolesEwald’: 2025-09-08T01:33:59,281 src/ewald.c:15149:8: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:59,281 15149 | REAL alpha,fac,temp,fac_self,factor,charge; 2025-09-08T01:33:59,281 | ^~~~~ 2025-09-08T01:33:59,311 src/ewald.c: In function ‘ComputeElectricFieldFromInducedDipolesEwaldMC’: 2025-09-08T01:33:59,331 src/ewald.c:15491:8: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:33:59,331 15491 | REAL alpha,fac,temp,fac_self,factor,charge; 2025-09-08T01:33:59,331 | ^~~~~ 2025-09-08T01:34:04,097 src/ewald.c: In function ‘CalculateEwaldFourierDerivatives’: 2025-09-08T01:34:04,121 src/ewald.c:18725:17: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:34:04,121 18725 | REAL *kfactor,alpha,temp; 2025-09-08T01:34:04,121 | ^~~~~ 2025-09-08T01:34:04,145 src/ewald.c:18710:8: warning: variable ‘Usum_framework’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:34:04,145 18710 | REAL Usum_framework; 2025-09-08T01:34:04,145 | ^~~~~~~~~~~~~~ 2025-09-08T01:34:04,169 src/ewald.c:18708:17: warning: variable ‘CksumFramework’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:34:04,169 18708 | COMPLEX Cksum,CksumFramework; 2025-09-08T01:34:04,169 | ^~~~~~~~~~~~~~ 2025-09-08T01:34:04,193 src/ewald.c:18695:17: warning: variable ‘energy_term’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:34:04,193 18695 | REAL exp_term,energy_term; 2025-09-08T01:34:04,193 | ^~~~~~~~~~~ 2025-09-08T01:34:04,217 src/ewald.c:18694:13: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:34:04,217 18694 | REAL Rksq,fac; 2025-09-08T01:34:04,217 | ^~~ 2025-09-08T01:34:04,241 src/ewald.c:18693:18: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:34:04,241 18693 | int type,typeA,typeB,Type; 2025-09-08T01:34:04,241 | ^~~~~ 2025-09-08T01:34:04,265 src/ewald.c:18693:12: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:34:04,265 18693 | int type,typeA,typeB,Type; 2025-09-08T01:34:04,265 | ^~~~~ 2025-09-08T01:35:17,877 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 2025-09-08T01:35:18,088 src/framework.c: In function ‘MakeFrameworkCellList’: 2025-09-08T01:35:18,088 src/framework.c:145:18: warning: variable ‘M’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:35:18,088 145 | int i,f1,icell,M; 2025-09-08T01:35:18,089 | ^ 2025-09-08T01:35:18,144 src/framework.c: In function ‘ReadFrameworkDefinitionCIF’: 2025-09-08T01:35:18,145 src/framework.c:350:7: warning: variable ‘NumberOfAtomTypeElementsInBlock’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:35:18,145 350 | int NumberOfAtomTypeElementsInBlock; 2025-09-08T01:35:18,145 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:35:18,272 src/framework.c: In function ‘WriteFrameworkDefinitionCIF’: 2025-09-08T01:35:18,274 src/framework.c:2057:12: warning: variable ‘C’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:35:18,275 2057 | REAL A,B,C; 2025-09-08T01:35:18,275 | ^ 2025-09-08T01:35:18,277 src/framework.c:2057:10: warning: variable ‘B’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:35:18,277 2057 | REAL A,B,C; 2025-09-08T01:35:18,277 | ^ 2025-09-08T01:35:18,280 src/framework.c:2057:8: warning: variable ‘A’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:35:18,280 2057 | REAL A,B,C; 2025-09-08T01:35:18,280 | ^ 2025-09-08T01:35:18,303 src/framework.c: In function ‘ReadFrameworkDefinitionCSSR’: 2025-09-08T01:35:18,307 src/framework.c:3254:14: warning: variable ‘index’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:35:18,308 3254 | int i,temp,index; 2025-09-08T01:35:18,308 | ^~~~~ 2025-09-08T01:35:18,320 src/framework.c: In function ‘WriteFrameworkDefinitionPDB’: 2025-09-08T01:35:18,324 src/framework.c:3558:9: warning: variable ‘Type’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:35:18,324 3558 | int j,Type; 2025-09-08T01:35:18,324 | ^~~~ 2025-09-08T01:35:18,336 src/framework.c: In function ‘WriteFrameworkDefinitionGulp’: 2025-09-08T01:35:18,341 src/framework.c:3648:8: warning: variable ‘SerialNumber’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:35:18,341 3648 | int SerialNumber; // Atom serial number 2025-09-08T01:35:18,341 | ^~~~~~~~~~~~ 2025-09-08T01:35:18,413 src/framework.c: In function ‘ReadIonSitingDefinition’: 2025-09-08T01:35:18,419 src/framework.c:4843:14: warning: variable ‘index’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:35:18,419 4843 | int i,temp,index; 2025-09-08T01:35:18,419 | ^~~~~ 2025-09-08T01:35:18,431 src/framework.c: In function ‘ReturnNumberOfAsymmetricAtoms’: 2025-09-08T01:35:18,438 src/framework.c:5049:16: warning: variable ‘t’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:35:18,438 5049 | VECTOR pos,s,t; 2025-09-08T01:35:18,438 | ^ 2025-09-08T01:35:18,540 src/framework.c: In function ‘AddTorsionTypeToDefinitions’: 2025-09-08T01:35:18,547 src/framework.c:6742:7: warning: unused variable ‘CompareParameters’ [-Wunused-variable] 2025-09-08T01:35:18,548 6742 | int CompareParameters; 2025-09-08T01:35:18,548 | ^~~~~~~~~~~~~~~~~ 2025-09-08T01:35:18,551 src/framework.c: In function ‘AddImproperTorsionTypeToDefinitions’: 2025-09-08T01:35:18,559 src/framework.c:6833:7: warning: unused variable ‘CompareParameters’ [-Wunused-variable] 2025-09-08T01:35:18,559 6833 | int CompareParameters; 2025-09-08T01:35:18,559 | ^~~~~~~~~~~~~~~~~ 2025-09-08T01:35:18,600 src/framework.c: In function ‘ReadFrameworkSpecificDefinition’: 2025-09-08T01:35:18,609 src/framework.c:6943:7: warning: unused variable ‘int_temp1’ [-Wunused-variable] 2025-09-08T01:35:18,609 6943 | int int_temp1,int_temp2; 2025-09-08T01:35:18,609 | ^~~~~~~~~ 2025-09-08T01:35:18,618 src/framework.c:6941:18: warning: unused variable ‘dr’ [-Wunused-variable] 2025-09-08T01:35:18,618 6941 | VECTOR Rab,Rbc,dr; 2025-09-08T01:35:18,618 | ^~ 2025-09-08T01:35:18,627 src/framework.c:6941:14: warning: unused variable ‘Rbc’ [-Wunused-variable] 2025-09-08T01:35:18,627 6941 | VECTOR Rab,Rbc,dr; 2025-09-08T01:35:18,627 | ^~~ 2025-09-08T01:35:18,636 src/framework.c:6941:10: warning: unused variable ‘Rab’ [-Wunused-variable] 2025-09-08T01:35:18,636 6941 | VECTOR Rab,Rbc,dr; 2025-09-08T01:35:18,636 | ^~~ 2025-09-08T01:35:18,644 src/framework.c:6939:18: warning: unused variable ‘theta’ [-Wunused-variable] 2025-09-08T01:35:18,645 6939 | REAL r,rab,rbc,theta; 2025-09-08T01:35:18,645 | ^~~~~ 2025-09-08T01:35:18,653 src/framework.c:6939:14: warning: unused variable ‘rbc’ [-Wunused-variable] 2025-09-08T01:35:18,653 6939 | REAL r,rab,rbc,theta; 2025-09-08T01:35:18,653 | ^~~ 2025-09-08T01:35:18,662 src/framework.c:6939:10: warning: unused variable ‘rab’ [-Wunused-variable] 2025-09-08T01:35:18,662 6939 | REAL r,rab,rbc,theta; 2025-09-08T01:35:18,662 | ^~~ 2025-09-08T01:35:18,671 src/framework.c:6939:8: warning: unused variable ‘r’ [-Wunused-variable] 2025-09-08T01:35:18,671 6939 | REAL r,rab,rbc,theta; 2025-09-08T01:35:18,671 | ^ 2025-09-08T01:35:18,680 src/framework.c:6938:70: warning: unused variable ‘BendTorsionType’ [-Wunused-variable] 2025-09-08T01:35:18,680 6938 | int BondBondType=0,BondBendType=0,BendBendType=0,BondTorsionType=0,BendTorsionType=0; 2025-09-08T01:35:18,680 | ^~~~~~~~~~~~~~~ 2025-09-08T01:35:18,688 src/framework.c:6938:52: warning: unused variable ‘BondTorsionType’ [-Wunused-variable] 2025-09-08T01:35:18,689 6938 | int BondBondType=0,BondBendType=0,BendBendType=0,BondTorsionType=0,BendTorsionType=0; 2025-09-08T01:35:18,689 | ^~~~~~~~~~~~~~~ 2025-09-08T01:35:18,697 src/framework.c:6938:37: warning: unused variable ‘BendBendType’ [-Wunused-variable] 2025-09-08T01:35:18,697 6938 | int BondBondType=0,BondBendType=0,BendBendType=0,BondTorsionType=0,BendTorsionType=0; 2025-09-08T01:35:18,697 | ^~~~~~~~~~~~ 2025-09-08T01:35:18,706 src/framework.c:6938:22: warning: unused variable ‘BondBendType’ [-Wunused-variable] 2025-09-08T01:35:18,706 6938 | int BondBondType=0,BondBendType=0,BendBendType=0,BondTorsionType=0,BendTorsionType=0; 2025-09-08T01:35:18,706 | ^~~~~~~~~~~~ 2025-09-08T01:35:18,715 src/framework.c:6938:7: warning: unused variable ‘BondBondType’ [-Wunused-variable] 2025-09-08T01:35:18,715 6938 | int BondBondType=0,BondBendType=0,BendBendType=0,BondTorsionType=0,BendTorsionType=0; 2025-09-08T01:35:18,715 | ^~~~~~~~~~~~ 2025-09-08T01:35:18,724 src/framework.c:6937:43: warning: unused variable ‘InversionBendType’ [-Wunused-variable] 2025-09-08T01:35:18,724 6937 | int BondType=0,BendType=0,TorsionType=0,InversionBendType=0,ImproperTorsionType=0; 2025-09-08T01:35:18,724 | ^~~~~~~~~~~~~~~~~ 2025-09-08T01:35:18,732 src/framework.c:6936:7: warning: variable ‘NumberOfArguments’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:35:18,732 6936 | int NumberOfArguments; 2025-09-08T01:35:18,733 | ^~~~~~~~~~~~~~~~~ 2025-09-08T01:35:18,741 src/framework.c:6933:53: warning: unused variable ‘TypeNameD’ [-Wunused-variable] 2025-09-08T01:35:18,741 6933 | char TypeNameA[256],TypeNameB[256],TypeNameC[256],TypeNameD[256]; 2025-09-08T01:35:18,741 | ^~~~~~~~~ 2025-09-08T01:35:18,750 src/framework.c:6933:38: warning: unused variable ‘TypeNameC’ [-Wunused-variable] 2025-09-08T01:35:18,750 6933 | char TypeNameA[256],TypeNameB[256],TypeNameC[256],TypeNameD[256]; 2025-09-08T01:35:18,750 | ^~~~~~~~~ 2025-09-08T01:35:18,759 src/framework.c:6932:123: warning: unused variable ‘ListTypeD’ [-Wunused-variable] 2025-09-08T01:35:18,759 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2025-09-08T01:35:18,759 | ^~~~~~~~~ 2025-09-08T01:35:18,767 src/framework.c:6932:113: warning: unused variable ‘ListTypeC’ [-Wunused-variable] 2025-09-08T01:35:18,768 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2025-09-08T01:35:18,768 | ^~~~~~~~~ 2025-09-08T01:35:18,776 src/framework.c:6932:87: warning: unused variable ‘CurrentTypeD’ [-Wunused-variable] 2025-09-08T01:35:18,776 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2025-09-08T01:35:18,776 | ^~~~~~~~~~~~ 2025-09-08T01:35:18,785 src/framework.c:6932:74: warning: unused variable ‘CurrentTypeC’ [-Wunused-variable] 2025-09-08T01:35:18,785 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2025-09-08T01:35:18,785 | ^~~~~~~~~~~~ 2025-09-08T01:35:18,794 src/framework.c:6932:61: warning: unused variable ‘CurrentTypeB’ [-Wunused-variable] 2025-09-08T01:35:18,794 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2025-09-08T01:35:18,794 | ^~~~~~~~~~~~ 2025-09-08T01:35:18,803 src/framework.c:6932:48: warning: unused variable ‘CurrentTypeA’ [-Wunused-variable] 2025-09-08T01:35:18,803 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2025-09-08T01:35:18,803 | ^~~~~~~~~~~~ 2025-09-08T01:35:18,811 src/framework.c:6932:21: warning: unused variable ‘C1’ [-Wunused-variable] 2025-09-08T01:35:18,812 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2025-09-08T01:35:18,812 | ^~ 2025-09-08T01:35:18,820 src/framework.c:6932:18: warning: unused variable ‘B1’ [-Wunused-variable] 2025-09-08T01:35:18,820 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2025-09-08T01:35:18,820 | ^~ 2025-09-08T01:35:18,829 src/framework.c:6932:15: warning: unused variable ‘A1’ [-Wunused-variable] 2025-09-08T01:35:18,829 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2025-09-08T01:35:18,829 | ^~ 2025-09-08T01:35:18,838 src/framework.c:6931:60: warning: unused variable ‘arg_pointer’ [-Wunused-variable] 2025-09-08T01:35:18,838 6931 | char keyword[1024],arguments[16384],firstargument[1024],*arg_pointer; 2025-09-08T01:35:18,838 | ^~~~~~~~~~~ 2025-09-08T01:35:18,846 src/framework.c:6930:20: warning: unused variable ‘string’ [-Wunused-variable] 2025-09-08T01:35:18,847 6930 | char line[16384],string[1024],buffer[256]; 2025-09-08T01:35:18,847 | ^~~~~~ 2025-09-08T01:35:18,855 src/framework.c:6929:45: warning: unused variable ‘nr_atoms’ [-Wunused-variable] 2025-09-08T01:35:18,855 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2025-09-08T01:35:18,855 | ^~~~~~~~ 2025-09-08T01:35:18,864 src/framework.c:6929:37: warning: unused variable ‘present’ [-Wunused-variable] 2025-09-08T01:35:18,864 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2025-09-08T01:35:18,864 | ^~~~~~~ 2025-09-08T01:35:18,873 src/framework.c:6929:22: warning: unused variable ‘index_excluded’ [-Wunused-variable] 2025-09-08T01:35:18,873 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2025-09-08T01:35:18,873 | ^~~~~~~~~~~~~~ 2025-09-08T01:35:18,882 src/framework.c:6929:19: warning: unused variable ‘f1’ [-Wunused-variable] 2025-09-08T01:35:18,882 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2025-09-08T01:35:18,882 | ^~ 2025-09-08T01:35:18,890 src/framework.c:6929:17: warning: unused variable ‘n’ [-Wunused-variable] 2025-09-08T01:35:18,890 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2025-09-08T01:35:18,891 | ^ 2025-09-08T01:35:18,899 src/framework.c:6929:15: warning: unused variable ‘m’ [-Wunused-variable] 2025-09-08T01:35:18,899 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2025-09-08T01:35:18,899 | ^ 2025-09-08T01:35:18,908 src/framework.c:6929:13: warning: unused variable ‘l’ [-Wunused-variable] 2025-09-08T01:35:18,908 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2025-09-08T01:35:18,908 | ^ 2025-09-08T01:35:18,917 src/framework.c:6929:11: warning: unused variable ‘k’ [-Wunused-variable] 2025-09-08T01:35:18,917 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2025-09-08T01:35:18,917 | ^ 2025-09-08T01:35:18,937 src/framework.c: In function ‘WriteFrameworkDefinitionDLPOLY’: 2025-09-08T01:35:18,947 src/framework.c:7308:25: warning: variable ‘typeD’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:35:18,947 7308 | int typeA,typeB,typeC,typeD; 2025-09-08T01:35:18,947 | ^~~~~ 2025-09-08T01:35:18,956 src/framework.c:7308:19: warning: variable ‘typeC’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:35:18,956 7308 | int typeA,typeB,typeC,typeD; 2025-09-08T01:35:18,956 | ^~~~~ 2025-09-08T01:35:18,965 src/framework.c:7308:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:35:18,965 7308 | int typeA,typeB,typeC,typeD; 2025-09-08T01:35:18,966 | ^~~~~ 2025-09-08T01:35:19,171 src/framework.c: In function ‘ReadFrameworkDefinition’: 2025-09-08T01:35:19,180 src/framework.c:7827:8: warning: unused variable ‘string’ [-Wunused-variable] 2025-09-08T01:35:19,180 7827 | char string[256]; 2025-09-08T01:35:19,180 | ^~~~~~ 2025-09-08T01:35:19,190 src/framework.c:7826:17: warning: unused variable ‘int_temp2’ [-Wunused-variable] 2025-09-08T01:35:19,190 7826 | int int_temp1,int_temp2; 2025-09-08T01:35:19,190 | ^~~~~~~~~ 2025-09-08T01:35:19,199 src/framework.c:7826:7: warning: unused variable ‘int_temp1’ [-Wunused-variable] 2025-09-08T01:35:19,200 7826 | int int_temp1,int_temp2; 2025-09-08T01:35:19,200 | ^~~~~~~~~ 2025-09-08T01:35:19,209 src/framework.c:7814:22: warning: variable ‘index_excluded’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:35:19,209 7814 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2025-09-08T01:35:19,209 | ^~~~~~~~~~~~~~ 2025-09-08T01:35:19,246 src/framework.c: In function ‘MakeExcludedInteractionLists’: 2025-09-08T01:35:19,260 src/framework.c:11201:13: warning: variable ‘TypeB’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:35:19,260 11201 | int TypeA,TypeB; 2025-09-08T01:35:19,260 | ^~~~~ 2025-09-08T01:35:19,274 src/framework.c:11201:7: warning: variable ‘TypeA’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:35:19,275 11201 | int TypeA,TypeB; 2025-09-08T01:35:19,275 | ^~~~~ 2025-09-08T01:35:23,739 src/framework.c: In function ‘WriteFrameworkDefinitionMOL’: 2025-09-08T01:35:23,744 src/framework.c:3050:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2025-09-08T01:35:23,745 3050 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.mol",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-08T01:35:23,745 | ^~ ~~~~~~~~~~~~~~ 2025-09-08T01:35:23,748 src/framework.c:3050:9: note: ‘sprintf’ output 33 or more bytes (assuming 288) into a destination of size 256 2025-09-08T01:35:23,748 3050 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.mol",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-08T01:35:23,748 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:35:23,877 src/framework.c: In function ‘WriteFrameworkDefinitionCSSR’: 2025-09-08T01:35:23,883 src/framework.c:3463:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2025-09-08T01:35:23,883 3463 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.cssr",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-08T01:35:23,884 | ^~ ~~~~~~~~~~~~~~ 2025-09-08T01:35:23,888 src/framework.c:3463:9: note: ‘sprintf’ output 34 or more bytes (assuming 289) into a destination of size 256 2025-09-08T01:35:23,888 3463 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.cssr",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-08T01:35:23,888 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:35:23,892 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=] 2025-09-08T01:35:23,892 3530 | snprintf(AtomName,10,"%-6s",PseudoAtoms[Framework[CurrentSystem].AtomsAsymmetric[CurrentFramework][j].Type].PrintToPDBName); 2025-09-08T01:35:23,893 | ^~~~ 2025-09-08T01:35:23,897 src/framework.c:3530:15: note: ‘snprintf’ output between 7 and 32 bytes into a destination of size 10 2025-09-08T01:35:23,897 3530 | snprintf(AtomName,10,"%-6s",PseudoAtoms[Framework[CurrentSystem].AtomsAsymmetric[CurrentFramework][j].Type].PrintToPDBName); 2025-09-08T01:35:23,897 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:35:23,902 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=] 2025-09-08T01:35:23,902 3502 | snprintf(AtomName,10,"%-6s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2025-09-08T01:35:23,902 | ^~~~ 2025-09-08T01:35:23,906 src/framework.c:3502:15: note: ‘snprintf’ output between 7 and 32 bytes into a destination of size 10 2025-09-08T01:35:23,906 3502 | snprintf(AtomName,10,"%-6s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2025-09-08T01:35:23,906 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:35:24,080 src/framework.c: In function ‘WriteFrameworkDefinitionPDB’: 2025-09-08T01:35:24,087 src/framework.c:3596:52: warning: ‘%s’ directive writing up to 255 bytes into a region of size 230 [-Wformat-overflow=] 2025-09-08T01:35:24,087 3596 | sprintf(buffer,"Movies/System_%d/Framework_%s%s.pdb",CurrentSystem,string,FileNameAppend); 2025-09-08T01:35:24,087 | ^~ ~~~~~~~~~~~~~~ 2025-09-08T01:35:24,091 src/framework.c:3596:7: note: ‘sprintf’ output 31 or more bytes (assuming 286) into a destination of size 256 2025-09-08T01:35:24,092 3596 | sprintf(buffer,"Movies/System_%d/Framework_%s%s.pdb",CurrentSystem,string,FileNameAppend); 2025-09-08T01:35:24,092 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:35:24,098 src/framework.c:3603:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 218 and 228 [-Wformat-overflow=] 2025-09-08T01:35:24,098 3603 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.pdb",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-08T01:35:24,099 | ^~ ~~~~~~~~~~~~~~ 2025-09-08T01:35:24,103 src/framework.c:3603:9: note: ‘sprintf’ output 33 or more bytes (assuming 298) into a destination of size 256 2025-09-08T01:35:24,103 3603 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.pdb",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-08T01:35:24,103 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:35:24,107 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=] 2025-09-08T01:35:24,108 3617 | snprintf(AtomName,10,"%2s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2025-09-08T01:35:24,108 | ^~~ 2025-09-08T01:35:24,112 src/framework.c:3617:13: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 10 2025-09-08T01:35:24,112 3617 | snprintf(AtomName,10,"%2s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2025-09-08T01:35:24,112 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:35:24,116 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=] 2025-09-08T01:35:24,117 3618 | snprintf(Element,10,"%2s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2025-09-08T01:35:24,117 | ^~~ 2025-09-08T01:35:24,121 src/framework.c:3618:13: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 10 2025-09-08T01:35:24,121 3618 | snprintf(Element,10,"%2s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2025-09-08T01:35:24,121 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:35:24,320 src/framework.c: In function ‘WriteFrameworkDefinitionGulp’: 2025-09-08T01:35:24,326 src/framework.c:3672:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2025-09-08T01:35:24,326 3672 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.gulp",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-08T01:35:24,326 | ^~ ~~~~~~~~~~~~~~ 2025-09-08T01:35:24,331 src/framework.c:3672:9: note: ‘sprintf’ output 34 or more bytes (assuming 289) into a destination of size 256 2025-09-08T01:35:24,331 3672 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.gulp",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-08T01:35:24,331 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:35:24,605 src/framework.c: In function ‘WriteFrameworkDefinitionVASP’: 2025-09-08T01:35:24,612 src/framework.c:3808:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2025-09-08T01:35:24,612 3808 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.vasp",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-08T01:35:24,612 | ^~ ~~~~~~~~~~~~~~ 2025-09-08T01:35:24,617 src/framework.c:3808:9: note: ‘sprintf’ output 34 or more bytes (assuming 289) into a destination of size 256 2025-09-08T01:35:24,617 3808 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.vasp",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-08T01:35:24,617 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:35:24,763 src/framework.c: In function ‘WriteFrameworkDefinitionTinker’: 2025-09-08T01:35:24,770 src/framework.c:3915:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2025-09-08T01:35:24,771 3915 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.txyz",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-08T01:35:24,771 | ^~ ~~~~~~~~~~~~~~ 2025-09-08T01:35:24,775 src/framework.c:3915:9: note: ‘sprintf’ output 34 or more bytes (assuming 289) into a destination of size 256 2025-09-08T01:35:24,775 3915 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.txyz",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-08T01:35:24,776 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:35:24,780 src/framework.c:3925:31: warning: ‘%3s’ directive writing between 3 and 31 bytes into a region of size 10 [-Wformat-overflow=] 2025-09-08T01:35:24,780 3925 | sprintf(AtomName,"%3s",PseudoAtoms[Type].PrintToPDBName); 2025-09-08T01:35:24,780 | ^~~ 2025-09-08T01:35:24,785 src/framework.c:3925:13: note: ‘sprintf’ output between 4 and 32 bytes into a destination of size 10 2025-09-08T01:35:24,785 3925 | sprintf(AtomName,"%3s",PseudoAtoms[Type].PrintToPDBName); 2025-09-08T01:35:24,785 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:35:25,724 src/framework.c: In function ‘ReadIonSitingDefinition’: 2025-09-08T01:35:25,733 src/framework.c:4848:22: warning: ‘%s’ directive writing 4 bytes into a region of size between 0 and 255 [-Wformat-overflow=] 2025-09-08T01:35:25,733 4848 | sprintf(buffer,"%s.%s",Framework[CurrentSystem].NameIons,"ions"); 2025-09-08T01:35:25,733 | ^~ ~~~~~~ 2025-09-08T01:35:25,739 src/framework.c:4848:3: note: ‘sprintf’ output between 6 and 261 bytes into a destination of size 256 2025-09-08T01:35:25,739 4848 | sprintf(buffer,"%s.%s",Framework[CurrentSystem].NameIons,"ions"); 2025-09-08T01:35:25,739 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:35:25,745 src/framework.c:4851:52: warning: ‘%s’ directive writing up to 255 bytes into a region of size 227 [-Wformat-overflow=] 2025-09-08T01:35:25,745 4851 | sprintf(buffer,"%s/share/raspa/structures/ions/%s.%s", 2025-09-08T01:35:25,745 | ^~ 2025-09-08T01:35:25,750 src/framework.c:4851:5: note: ‘sprintf’ output 35 or more bytes (assuming 290) into a destination of size 256 2025-09-08T01:35:25,750 4851 | sprintf(buffer,"%s/share/raspa/structures/ions/%s.%s", 2025-09-08T01:35:25,750 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:35:25,750 4852 | RASPA_DIRECTORY, 2025-09-08T01:35:25,750 | ~~~~~~~~~~~~~~~~ 2025-09-08T01:35:25,750 4853 | Framework[CurrentSystem].NameIons, 2025-09-08T01:35:25,750 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:35:25,751 4854 | "ions"); 2025-09-08T01:35:25,751 | ~~~~~~~ 2025-09-08T01:35:33,791 src/framework.c: In function ‘WriteFrameworkDefinitionCIF.part.0’: 2025-09-08T01:35:33,794 src/framework.c:2102:69: warning: ‘%s’ directive writing up to 255 bytes into a region of size 217 [-Wformat-overflow=] 2025-09-08T01:35:33,794 2102 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d_VASP%s.cif", 2025-09-08T01:35:33,794 | ^~ 2025-09-08T01:35:33,794 ...... 2025-09-08T01:35:33,794 2105 | FileNameAppend); 2025-09-08T01:35:33,794 | ~~~~~~~~~~~~~~ 2025-09-08T01:35:33,796 src/framework.c:2102:7: note: ‘sprintf’ output 44 or more bytes (assuming 299) into a destination of size 256 2025-09-08T01:35:33,796 2102 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d_VASP%s.cif", 2025-09-08T01:35:33,796 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:35:33,796 2103 | CurrentSystem,CurrentFramework,string, 2025-09-08T01:35:33,796 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:35:33,796 2104 | NumberOfUnitCells[CurrentSystem].x,NumberOfUnitCells[CurrentSystem].y,NumberOfUnitCells[CurrentSystem].z, 2025-09-08T01:35:33,796 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:35:33,797 2105 | FileNameAppend); 2025-09-08T01:35:33,797 | ~~~~~~~~~~~~~~~ 2025-09-08T01:35:33,801 src/framework.c:2329:67: warning: ‘%s’ directive writing up to 255 bytes into a region of size 219 [-Wformat-overflow=] 2025-09-08T01:35:33,801 2329 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d_P1%s.cif", 2025-09-08T01:35:33,801 | ^~ 2025-09-08T01:35:33,801 ...... 2025-09-08T01:35:33,801 2332 | FileNameAppend); 2025-09-08T01:35:33,801 | ~~~~~~~~~~~~~~ 2025-09-08T01:35:33,803 src/framework.c:2329:7: note: ‘sprintf’ output 42 or more bytes (assuming 297) into a destination of size 256 2025-09-08T01:35:33,804 2329 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d_P1%s.cif", 2025-09-08T01:35:33,804 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:35:33,804 2330 | CurrentSystem,CurrentFramework,string, 2025-09-08T01:35:33,804 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:35:33,804 2331 | NumberOfUnitCells[CurrentSystem].x,NumberOfUnitCells[CurrentSystem].y,NumberOfUnitCells[CurrentSystem].z, 2025-09-08T01:35:33,804 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:35:33,804 2332 | FileNameAppend); 2025-09-08T01:35:33,804 | ~~~~~~~~~~~~~~~ 2025-09-08T01:35:33,809 src/framework.c:2548:66: warning: ‘%s’ directive writing up to 255 bytes into a region of size 222 [-Wformat-overflow=] 2025-09-08T01:35:33,809 2548 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d%s.cif", 2025-09-08T01:35:33,809 | ^~ 2025-09-08T01:35:33,809 2549 | CurrentSystem,CurrentFramework,string,1,1,1,FileNameAppend); 2025-09-08T01:35:33,809 | ~~~~~~~~~~~~~~ 2025-09-08T01:35:33,812 src/framework.c:2548:9: note: ‘sprintf’ output 39 or more bytes (assuming 294) into a destination of size 256 2025-09-08T01:35:33,812 2548 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d%s.cif", 2025-09-08T01:35:33,812 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:35:33,812 2549 | CurrentSystem,CurrentFramework,string,1,1,1,FileNameAppend); 2025-09-08T01:35:33,812 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:35:36,792 src/framework.c: In function ‘AddBondTypeToDefinitions’: 2025-09-08T01:35:36,800 src/framework.c:6620:18: warning: ‘NumberOfArguments’ may be used uninitialized [-Wmaybe-uninitialized] 2025-09-08T01:35:36,800 6620 | for(j=0;j= num_terms) 2025-09-08T01:41:46,002 | ^~ 2025-09-08T01:41:46,005 src/matrix.c:2286:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2025-09-08T01:41:46,005 2286 | for( i = 0; i < mp; ++i ) 2025-09-08T01:41:46,005 | ^ 2025-09-08T01:41:46,007 src/matrix.c:2290:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2025-09-08T01:41:46,007 2290 | for( j = 0; j < np; ++j ) 2025-09-08T01:41:46,007 | ^ 2025-09-08T01:41:46,009 src/matrix.c:2295:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2025-09-08T01:41:46,009 2295 | for( i = 0; i < np; ++i ) 2025-09-08T01:41:46,009 | ^ 2025-09-08T01:41:46,011 src/matrix.c:2299:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2025-09-08T01:41:46,011 2299 | for( j = 0; j < np; ++j ) 2025-09-08T01:41:46,011 | ^ 2025-09-08T01:41:46,013 src/matrix.c:2304:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2025-09-08T01:41:46,013 2304 | for( i = 0; i < np; ++i ) 2025-09-08T01:41:46,013 | ^ 2025-09-08T01:41:46,015 src/matrix.c:2309:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2025-09-08T01:41:46,015 2309 | for( i = 0; i < np; ++i ) 2025-09-08T01:41:46,015 | ^ 2025-09-08T01:41:46,017 src/matrix.c:2312:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2025-09-08T01:41:46,017 2312 | for( j = 0; j < np; ++j ) 2025-09-08T01:41:46,017 | ^ 2025-09-08T01:41:46,020 src/matrix.c:2257:13: warning: variable ‘vm’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:41:46,020 2257 | double *vm = NULL; 2025-09-08T01:41:46,020 | ^~ 2025-09-08T01:41:52,244 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 2025-09-08T01:41:52,809 src/mc_moves.c: In function ‘IdentityChangeAdsorbateMove’: 2025-09-08T01:41:52,817 src/mc_moves.c:6154:20: warning: unused variable ‘type’ [-Wunused-variable] 2025-09-08T01:41:52,817 6154 | int i,d,nr_atoms,type; 2025-09-08T01:41:52,818 | ^~~~ 2025-09-08T01:41:52,826 src/mc_moves.c:6154:11: warning: unused variable ‘nr_atoms’ [-Wunused-variable] 2025-09-08T01:41:52,826 6154 | int i,d,nr_atoms,type; 2025-09-08T01:41:52,826 | ^~~~~~~~ 2025-09-08T01:41:52,842 src/mc_moves.c: In function ‘IdentityChangeCationMove’: 2025-09-08T01:41:52,851 src/mc_moves.c:6455:20: warning: unused variable ‘type’ [-Wunused-variable] 2025-09-08T01:41:52,851 6455 | int i,d,nr_atoms,type; 2025-09-08T01:41:52,851 | ^~~~ 2025-09-08T01:41:52,860 src/mc_moves.c:6455:11: warning: unused variable ‘nr_atoms’ [-Wunused-variable] 2025-09-08T01:41:52,860 6455 | int i,d,nr_atoms,type; 2025-09-08T01:41:52,860 | ^~~~~~~~ 2025-09-08T01:41:52,979 src/mc_moves.c: In function ‘VolumeMove’: 2025-09-08T01:41:52,990 src/mc_moves.c:7932:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:41:52,990 7932 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2025-09-08T01:41:52,990 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:41:53,033 src/mc_moves.c: In function ‘BoxShapeChangeMove’: 2025-09-08T01:41:53,045 src/mc_moves.c:8443:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:41:53,045 8443 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2025-09-08T01:41:53,045 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:41:53,061 src/mc_moves.c: In function ‘ParallelTemperingMove’: 2025-09-08T01:41:53,074 src/mc_moves.c:9041:25: warning: variable ‘PartialFugacityB’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:41:53,074 9041 | REAL PartialFugacityA,PartialFugacityB; 2025-09-08T01:41:53,074 | ^~~~~~~~~~~~~~~~ 2025-09-08T01:41:53,086 src/mc_moves.c:9041:8: warning: variable ‘PartialFugacityA’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:41:53,087 9041 | REAL PartialFugacityA,PartialFugacityB; 2025-09-08T01:41:53,087 | ^~~~~~~~~~~~~~~~ 2025-09-08T01:41:53,146 src/mc_moves.c: In function ‘ChiralInversionMove’: 2025-09-08T01:41:53,160 src/mc_moves.c:9804:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:41:53,160 9804 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2025-09-08T01:41:53,160 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:41:53,597 src/mc_moves.c: In function ‘HybridNVEMove’: 2025-09-08T01:41:53,616 src/mc_moves.c:13405:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:41:53,616 13405 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2025-09-08T01:41:53,616 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:41:53,699 src/mc_moves.c: In function ‘HybridNPHMove’: 2025-09-08T01:41:53,719 src/mc_moves.c:13959:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:41:53,719 13959 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2025-09-08T01:41:53,720 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:41:53,814 src/mc_moves.c: In function ‘HybridNPHPRMove’: 2025-09-08T01:41:53,835 src/mc_moves.c:14504:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:41:53,835 14504 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2025-09-08T01:41:53,835 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:41:53,902 src/mc_moves.c: In function ‘CFWangLandauIteration’: 2025-09-08T01:41:53,923 src/mc_moves.c:15099:17: warning: variable ‘MostProbableIndex’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:41:53,923 15099 | int condition,MostProbableIndex; 2025-09-08T01:41:53,924 | ^~~~~~~~~~~~~~~~~ 2025-09-08T01:41:54,947 src/mc_moves.c: In function ‘CFGibbsParticleTransferAdsorbateMove’: 2025-09-08T01:41:54,974 src/mc_moves.c:18867:8: warning: variable ‘Rosen’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:41:54,974 18867 | REAL Rosen,RosenbluthNew,RosenbluthOld; 2025-09-08T01:41:54,974 | ^~~~~ 2025-09-08T01:41:55,333 src/mc_moves.c: In function ‘CFGibbsParticleTransferCationMove’: 2025-09-08T01:41:55,362 src/mc_moves.c:20381:8: warning: variable ‘PartialFugacity’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:41:55,363 20381 | REAL PartialFugacity,UTailDelta[2]; 2025-09-08T01:41:55,363 | ^~~~~~~~~~~~~~~ 2025-09-08T01:41:55,836 src/mc_moves.c: In function ‘CBCFGibbsParticleTransferAdsorbateMove’: 2025-09-08T01:41:55,868 src/mc_moves.c:21956:8: warning: variable ‘Rosen’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:41:55,868 21956 | REAL Rosen,RosenbluthNewA,RosenbluthOldA,RosenbluthNewB,RosenbluthOldB; 2025-09-08T01:41:55,868 | ^~~~~ 2025-09-08T01:41:56,349 src/mc_moves.c: In function ‘CBCFGibbsParticleTransferCationMove’: 2025-09-08T01:41:56,384 src/mc_moves.c:23779:8: warning: variable ‘Rosen’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:41:56,385 23779 | REAL Rosen,RosenbluthNewA,RosenbluthOldA,RosenbluthNewB,RosenbluthOldB; 2025-09-08T01:41:56,385 | ^~~~~ 2025-09-08T01:41:56,668 src/mc_moves.c: In function ‘CFCRXMCLambdaChangeMove’: 2025-09-08T01:41:56,703 src/mc_moves.c:26079:58: error: implicit declaration of function ‘numberOfReactionMoleculesForComponent’ [-Wimplicit-function-declaration] 2025-09-08T01:41:56,703 26079 | N=Components[i].NumberOfMolecules[CurrentSystem]-numberOfReactionMoleculesForComponent(i); 2025-09-08T01:41:56,703 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-08T01:41:56,787 src/mc_moves.c: In function ‘CFRXMCWangLandauIteration’: 2025-09-08T01:41:56,826 src/mc_moves.c:26587:17: warning: variable ‘MostProbableIndex’ set but not used [-Wunused-but-set-variable] 2025-09-08T01:41:56,827 26587 | int condition,MostProbableIndex; 2025-09-08T01:41:56,827 | ^~~~~~~~~~~~~~~~~ 2025-09-08T01:41:56,866 src/mc_moves.c:26586:7: warning: unused variable ‘FractionalMolecule’ [-Wunused-variable] 2025-09-08T01:41:56,866 26586 | int FractionalMolecule,index; 2025-09-08T01:41:56,867 | ^~~~~~~~~~~~~~~~~~ 2025-09-08T01:41:56,917 src/mc_moves.c: In function ‘PrintRXMCStatistics’: 2025-09-08T01:41:56,958 src/mc_moves.c:26708:9: warning: unused variable ‘j’ [-Wunused-variable] 2025-09-08T01:41:56,958 26708 | int i,j,k; 2025-09-08T01:41:56,958 | ^ 2025-09-08T01:41:56,994 src/mc_moves.c: In function ‘AllocateMCMovesMemory’: 2025-09-08T01:41:57,034 src/mc_moves.c:27007:11: warning: unused variable ‘k’ [-Wunused-variable] 2025-09-08T01:41:57,034 27007 | int i,j,k; 2025-09-08T01:41:57,034 | ^ 2025-09-08T01:41:58,027 error: command '/usr/bin/arm-linux-gnueabihf-gcc' failed with exit code 1 2025-09-08T01:41:58,164 ERROR: python setup.py bdist_wheel exited with 1 2025-09-08T01:41:58,177 [bold magenta]full command[/]: [blue]/usr/bin/python3 -u -c ' 2025-09-08T01:41:58,177 exec(compile('"'"''"'"''"'"' 2025-09-08T01:41:58,177 # This is -- a caller that pip uses to run setup.py 2025-09-08T01:41:58,177 # 2025-09-08T01:41:58,177 # - It imports setuptools before invoking setup.py, to enable projects that directly 2025-09-08T01:41:58,177 # import from `distutils.core` to work with newer packaging standards. 2025-09-08T01:41:58,177 # - It provides a clear error message when setuptools is not installed. 2025-09-08T01:41:58,177 # - It sets `sys.argv[0]` to the underlying `setup.py`, when invoking `setup.py` so 2025-09-08T01:41:58,177 # setuptools doesn'"'"'t think the script is `-c`. This avoids the following warning: 2025-09-08T01:41:58,177 # manifest_maker: standard file '"'"'-c'"'"' not found". 2025-09-08T01:41:58,177 # - It generates a shim setup.py, for handling setup.cfg-only projects. 2025-09-08T01:41:58,177 import os, sys, tokenize, traceback 2025-09-08T01:41:58,177 2025-09-08T01:41:58,177 try: 2025-09-08T01:41:58,177 import setuptools 2025-09-08T01:41:58,177 except ImportError: 2025-09-08T01:41:58,177 print( 2025-09-08T01:41:58,177 "ERROR: Can not execute `setup.py` since setuptools failed to import in " 2025-09-08T01:41:58,177 "the build environment with exception:", 2025-09-08T01:41:58,177 file=sys.stderr, 2025-09-08T01:41:58,177 ) 2025-09-08T01:41:58,177 traceback.print_exc() 2025-09-08T01:41:58,177 sys.exit(1) 2025-09-08T01:41:58,177 2025-09-08T01:41:58,177 __file__ = %r 2025-09-08T01:41:58,177 sys.argv[0] = __file__ 2025-09-08T01:41:58,177 2025-09-08T01:41:58,177 if os.path.exists(__file__): 2025-09-08T01:41:58,177 filename = __file__ 2025-09-08T01:41:58,177 with tokenize.open(__file__) as f: 2025-09-08T01:41:58,177 setup_py_code = f.read() 2025-09-08T01:41:58,177 else: 2025-09-08T01:41:58,177 filename = "" 2025-09-08T01:41:58,177 setup_py_code = "from setuptools import setup; setup()" 2025-09-08T01:41:58,177 2025-09-08T01:41:58,177 exec(compile(setup_py_code, filename, "exec")) 2025-09-08T01:41:58,177 '"'"''"'"''"'"' % ('"'"'/tmp/pip-wheel-nb88r7hr/raspa2_40ac11a93e024fb39bdea2118fcf95a2/setup.py'"'"',), "", "exec"))' bdist_wheel -d /tmp/pip-wheel-57dufdvm[/] 2025-09-08T01:41:58,177 [bold magenta]cwd[/]: /tmp/pip-wheel-nb88r7hr/raspa2_40ac11a93e024fb39bdea2118fcf95a2/ 2025-09-08T01:41:58,177 Building wheel for raspa2 (setup.py): finished with status 'error' 2025-09-08T01:41:58,178 ERROR: Failed building wheel for raspa2 2025-09-08T01:41:58,179 Running setup.py clean for raspa2 2025-09-08T01:41:58,180 Running command python setup.py clean 2025-09-08T01:41:59,531 running clean 2025-09-08T01:41:59,677 removing 'build/temp.linux-armv7l-cpython-313' (and everything under it) 2025-09-08T01:41:59,681 removing 'build/lib.linux-armv7l-cpython-313' (and everything under it) 2025-09-08T01:41:59,700 'build/bdist.linux-armv7l' does not exist -- can't clean it 2025-09-08T01:41:59,700 'build/scripts-3.13' does not exist -- can't clean it 2025-09-08T01:41:59,700 removing 'build' 2025-09-08T01:41:59,819 Failed to build raspa2 2025-09-08T01:41:59,820 ERROR: Failed to build one or more wheels 2025-09-08T01:41:59,821 Exception information: 2025-09-08T01:41:59,821 Traceback (most recent call last): 2025-09-08T01:41:59,821 File "/usr/lib/python3/dist-packages/pip/_internal/cli/base_command.py", line 105, in _run_wrapper 2025-09-08T01:41:59,821 status = _inner_run() 2025-09-08T01:41:59,821 File "/usr/lib/python3/dist-packages/pip/_internal/cli/base_command.py", line 96, in _inner_run 2025-09-08T01:41:59,821 return self.run(options, args) 2025-09-08T01:41:59,821 ~~~~~~~~^^^^^^^^^^^^^^^ 2025-09-08T01:41:59,821 File "/usr/lib/python3/dist-packages/pip/_internal/cli/req_command.py", line 68, in wrapper 2025-09-08T01:41:59,821 return func(self, options, args) 2025-09-08T01:41:59,821 File "/usr/lib/python3/dist-packages/pip/_internal/commands/wheel.py", line 180, in run 2025-09-08T01:41:59,821 raise CommandError("Failed to build one or more wheels") 2025-09-08T01:41:59,821 pip._internal.exceptions.CommandError: Failed to build one or more wheels 2025-09-08T01:41:59,826 Removed build tracker: '/tmp/pip-build-tracker-yynpf9u1'