2025-09-09T12:59:50,412 Created temporary directory: /tmp/pip-build-tracker-_3bx53jj 2025-09-09T12:59:50,413 Initialized build tracking at /tmp/pip-build-tracker-_3bx53jj 2025-09-09T12:59:50,413 Created build tracker: /tmp/pip-build-tracker-_3bx53jj 2025-09-09T12:59:50,413 Entered build tracker: /tmp/pip-build-tracker-_3bx53jj 2025-09-09T12:59:50,413 Created temporary directory: /tmp/pip-wheel-3qb6t83y 2025-09-09T12:59:50,417 Created temporary directory: /tmp/pip-ephem-wheel-cache-6ww2_xil 2025-09-09T12:59:50,472 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2025-09-09T12:59:50,474 2 location(s) to search for versions of raspa2: 2025-09-09T12:59:50,474 * https://pypi.org/simple/raspa2/ 2025-09-09T12:59:50,474 * https://www.piwheels.org/simple/raspa2/ 2025-09-09T12:59:50,474 Fetching project page and analyzing links: https://pypi.org/simple/raspa2/ 2025-09-09T12:59:50,475 Getting page https://pypi.org/simple/raspa2/ 2025-09-09T12:59:50,476 Found index url https://pypi.org/simple/ 2025-09-09T12:59:50,624 Fetched page https://pypi.org/simple/raspa2/ as application/vnd.pypi.simple.v1+json 2025-09-09T12:59:50,627 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 2025-09-09T12:59:50,628 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 2025-09-09T12:59:50,628 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 2025-09-09T12:59:50,629 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/) 2025-09-09T12:59:50,629 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 2025-09-09T12:59:50,630 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/) 2025-09-09T12:59:50,630 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/) 2025-09-09T12:59:50,630 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 2025-09-09T12:59:50,631 Fetching project page and analyzing links: https://www.piwheels.org/simple/raspa2/ 2025-09-09T12:59:50,631 Getting page https://www.piwheels.org/simple/raspa2/ 2025-09-09T12:59:50,633 Found index url https://www.piwheels.org/simple/ 2025-09-09T12:59:50,732 Fetched page https://www.piwheels.org/simple/raspa2/ as text/html 2025-09-09T12:59:50,736 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/) 2025-09-09T12:59:50,736 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/) 2025-09-09T12:59:50,736 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/) 2025-09-09T12:59:50,736 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/) 2025-09-09T12:59:50,737 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/) 2025-09-09T12:59:50,737 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/) 2025-09-09T12:59:50,737 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/) 2025-09-09T12:59:50,737 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/) 2025-09-09T12:59:50,737 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/) 2025-09-09T12:59:50,737 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/) 2025-09-09T12:59:50,738 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/) 2025-09-09T12:59:50,738 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/) 2025-09-09T12:59:50,738 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/) 2025-09-09T12:59:50,738 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/) 2025-09-09T12:59:50,738 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/) 2025-09-09T12:59:50,738 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/) 2025-09-09T12:59:50,738 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/) 2025-09-09T12:59:50,738 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/) 2025-09-09T12:59:50,739 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/) 2025-09-09T12:59:50,739 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/) 2025-09-09T12:59:50,739 Skipping link: not a file: https://www.piwheels.org/simple/raspa2/ 2025-09-09T12:59:50,739 Skipping link: not a file: https://pypi.org/simple/raspa2/ 2025-09-09T12:59:50,765 Given no hashes to check 1 links for project 'raspa2': discarding no candidates 2025-09-09T12:59:50,766 Collecting raspa2==2.0.4 2025-09-09T12:59:50,768 Created temporary directory: /tmp/pip-unpack-2jpu6aun 2025-09-09T12:59:50,916 Downloading RASPA2-2.0.4.tar.gz (3.3 MB) 2025-09-09T12:59:52,374 Added raspa2==2.0.4 from https://files.pythonhosted.org/packages/df/7c/6b435fed5080134b1bdeecf82ce490a4d324f3fb87a432b226623f7cd69f/RASPA2-2.0.4.tar.gz to build tracker '/tmp/pip-build-tracker-_3bx53jj' 2025-09-09T12:59:52,375 Running setup.py (path:/tmp/pip-wheel-3qb6t83y/raspa2_bc94c62f771b4f8bb4770a3a23a7d2ad/setup.py) egg_info for package raspa2 2025-09-09T12:59:52,375 Created temporary directory: /tmp/pip-pip-egg-info-z3ihd6n3 2025-09-09T12:59:52,375 Preparing metadata (setup.py): started 2025-09-09T12:59:52,376 Running command python setup.py egg_info 2025-09-09T12:59:53,601 running egg_info 2025-09-09T12:59:53,677 creating /tmp/pip-pip-egg-info-z3ihd6n3/RASPA2.egg-info 2025-09-09T12:59:53,677 writing /tmp/pip-pip-egg-info-z3ihd6n3/RASPA2.egg-info/PKG-INFO 2025-09-09T12:59:53,678 writing dependency_links to /tmp/pip-pip-egg-info-z3ihd6n3/RASPA2.egg-info/dependency_links.txt 2025-09-09T12:59:53,679 writing entry points to /tmp/pip-pip-egg-info-z3ihd6n3/RASPA2.egg-info/entry_points.txt 2025-09-09T12:59:53,679 writing top-level names to /tmp/pip-pip-egg-info-z3ihd6n3/RASPA2.egg-info/top_level.txt 2025-09-09T12:59:53,680 writing manifest file '/tmp/pip-pip-egg-info-z3ihd6n3/RASPA2.egg-info/SOURCES.txt' 2025-09-09T12:59:54,033 reading manifest file '/tmp/pip-pip-egg-info-z3ihd6n3/RASPA2.egg-info/SOURCES.txt' 2025-09-09T12:59:54,034 reading manifest template 'MANIFEST.in' 2025-09-09T12:59:54,152 writing manifest file '/tmp/pip-pip-egg-info-z3ihd6n3/RASPA2.egg-info/SOURCES.txt' 2025-09-09T12:59:54,275 Preparing metadata (setup.py): finished with status 'done' 2025-09-09T12:59:54,279 Source in /tmp/pip-wheel-3qb6t83y/raspa2_bc94c62f771b4f8bb4770a3a23a7d2ad has version 2.0.4, which satisfies requirement raspa2==2.0.4 from https://files.pythonhosted.org/packages/df/7c/6b435fed5080134b1bdeecf82ce490a4d324f3fb87a432b226623f7cd69f/RASPA2-2.0.4.tar.gz 2025-09-09T12:59:54,280 Removed raspa2==2.0.4 from https://files.pythonhosted.org/packages/df/7c/6b435fed5080134b1bdeecf82ce490a4d324f3fb87a432b226623f7cd69f/RASPA2-2.0.4.tar.gz from build tracker '/tmp/pip-build-tracker-_3bx53jj' 2025-09-09T12:59:54,283 Created temporary directory: /tmp/pip-unpack-b9id85fh 2025-09-09T12:59:54,283 Created temporary directory: /tmp/pip-unpack-1qt3sa58 2025-09-09T12:59:54,283 Building wheels for collected packages: raspa2 2025-09-09T12:59:54,284 Created temporary directory: /tmp/pip-wheel-_nigo4tk 2025-09-09T12:59:54,285 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 2025-09-09T12:59:54,286 Building wheel for raspa2 (setup.py): started 2025-09-09T12:59:54,286 Destination directory: /tmp/pip-wheel-_nigo4tk 2025-09-09T12:59:54,286 Running command python setup.py bdist_wheel 2025-09-09T12:59:55,436 running bdist_wheel 2025-09-09T12:59:55,804 running build 2025-09-09T12:59:55,804 running build_py 2025-09-09T12:59:55,881 creating build/lib.linux-armv7l-cpython-313/RASPA2 2025-09-09T12:59:55,882 copying python/raspa2.py -> build/lib.linux-armv7l-cpython-313/RASPA2 2025-09-09T12:59:55,882 copying python/output_parser.py -> build/lib.linux-armv7l-cpython-313/RASPA2 2025-09-09T12:59:55,883 copying python/__init__.py -> build/lib.linux-armv7l-cpython-313/RASPA2 2025-09-09T12:59:55,884 running egg_info 2025-09-09T12:59:55,961 writing RASPA2.egg-info/PKG-INFO 2025-09-09T12:59:55,962 writing dependency_links to RASPA2.egg-info/dependency_links.txt 2025-09-09T12:59:55,962 writing entry points to RASPA2.egg-info/entry_points.txt 2025-09-09T12:59:55,963 writing top-level names to RASPA2.egg-info/top_level.txt 2025-09-09T12:59:56,091 reading manifest file 'RASPA2.egg-info/SOURCES.txt' 2025-09-09T12:59:56,131 reading manifest template 'MANIFEST.in' 2025-09-09T12:59:56,259 writing manifest file 'RASPA2.egg-info/SOURCES.txt' 2025-09-09T12:59:56,261 /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. 2025-09-09T12:59:56,261 !! 2025-09-09T12:59:56,261 ******************************************************************************** 2025-09-09T12:59:56,261 ############################ 2025-09-09T12:59:56,261 # Package would be ignored # 2025-09-09T12:59:56,261 ############################ 2025-09-09T12:59:56,261 Python recognizes 'RASPA2.share.raspa.forcefield.AmirjalayerSchmid' as an importable package[^1], 2025-09-09T12:59:56,261 but it is absent from setuptools' `packages` configuration. 2025-09-09T12:59:56,262 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-09T12:59:56,262 package, please make sure that 'RASPA2.share.raspa.forcefield.AmirjalayerSchmid' is explicitly added 2025-09-09T12:59:56,262 to the `packages` configuration field. 2025-09-09T12:59:56,262 Alternatively, you can also rely on setuptools' discovery methods 2025-09-09T12:59:56,262 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-09T12:59:56,262 instead of `find_packages(...)`/`find:`). 2025-09-09T12:59:56,262 You can read more about "package discovery" on setuptools documentation page: 2025-09-09T12:59:56,262 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-09T12:59:56,263 If you don't want 'RASPA2.share.raspa.forcefield.AmirjalayerSchmid' to be distributed and are 2025-09-09T12:59:56,263 already explicitly excluding 'RASPA2.share.raspa.forcefield.AmirjalayerSchmid' via 2025-09-09T12:59:56,263 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-09T12:59:56,263 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-09T12:59:56,263 combination with a more fine grained `package-data` configuration. 2025-09-09T12:59:56,263 You can read more about "package data files" on setuptools documentation page: 2025-09-09T12:59:56,263 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-09T12:59:56,264 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-09T12:59:56,264 even if it does not contain any `.py` files. 2025-09-09T12:59:56,264 On the other hand, currently there is no concept of package data 2025-09-09T12:59:56,264 directory, all directories are treated like packages. 2025-09-09T12:59:56,264 ******************************************************************************** 2025-09-09T12:59:56,264 !! 2025-09-09T12:59:56,264 check.warn(importable) 2025-09-09T12:59:56,264 /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. 2025-09-09T12:59:56,264 !! 2025-09-09T12:59:56,265 ******************************************************************************** 2025-09-09T12:59:56,265 ############################ 2025-09-09T12:59:56,265 # Package would be ignored # 2025-09-09T12:59:56,265 ############################ 2025-09-09T12:59:56,265 Python recognizes 'RASPA2.share.raspa.forcefield.CastilloVlugtCalero2009' as an importable package[^1], 2025-09-09T12:59:56,265 but it is absent from setuptools' `packages` configuration. 2025-09-09T12:59:56,265 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-09T12:59:56,265 package, please make sure that 'RASPA2.share.raspa.forcefield.CastilloVlugtCalero2009' is explicitly added 2025-09-09T12:59:56,265 to the `packages` configuration field. 2025-09-09T12:59:56,266 Alternatively, you can also rely on setuptools' discovery methods 2025-09-09T12:59:56,266 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-09T12:59:56,266 instead of `find_packages(...)`/`find:`). 2025-09-09T12:59:56,266 You can read more about "package discovery" on setuptools documentation page: 2025-09-09T12:59:56,266 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-09T12:59:56,266 If you don't want 'RASPA2.share.raspa.forcefield.CastilloVlugtCalero2009' to be distributed and are 2025-09-09T12:59:56,266 already explicitly excluding 'RASPA2.share.raspa.forcefield.CastilloVlugtCalero2009' via 2025-09-09T12:59:56,266 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-09T12:59:56,267 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-09T12:59:56,267 combination with a more fine grained `package-data` configuration. 2025-09-09T12:59:56,267 You can read more about "package data files" on setuptools documentation page: 2025-09-09T12:59:56,267 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-09T12:59:56,267 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-09T12:59:56,267 even if it does not contain any `.py` files. 2025-09-09T12:59:56,267 On the other hand, currently there is no concept of package data 2025-09-09T12:59:56,268 directory, all directories are treated like packages. 2025-09-09T12:59:56,268 ******************************************************************************** 2025-09-09T12:59:56,268 !! 2025-09-09T12:59:56,268 check.warn(importable) 2025-09-09T12:59:56,268 /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. 2025-09-09T12:59:56,268 !! 2025-09-09T12:59:56,268 ******************************************************************************** 2025-09-09T12:59:56,268 ############################ 2025-09-09T12:59:56,268 # Package would be ignored # 2025-09-09T12:59:56,269 ############################ 2025-09-09T12:59:56,269 Python recognizes 'RASPA2.share.raspa.forcefield.CoreShellCatlow' as an importable package[^1], 2025-09-09T12:59:56,269 but it is absent from setuptools' `packages` configuration. 2025-09-09T12:59:56,269 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-09T12:59:56,269 package, please make sure that 'RASPA2.share.raspa.forcefield.CoreShellCatlow' is explicitly added 2025-09-09T12:59:56,269 to the `packages` configuration field. 2025-09-09T12:59:56,269 Alternatively, you can also rely on setuptools' discovery methods 2025-09-09T12:59:56,269 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-09T12:59:56,269 instead of `find_packages(...)`/`find:`). 2025-09-09T12:59:56,270 You can read more about "package discovery" on setuptools documentation page: 2025-09-09T12:59:56,270 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-09T12:59:56,270 If you don't want 'RASPA2.share.raspa.forcefield.CoreShellCatlow' to be distributed and are 2025-09-09T12:59:56,270 already explicitly excluding 'RASPA2.share.raspa.forcefield.CoreShellCatlow' via 2025-09-09T12:59:56,270 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-09T12:59:56,270 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-09T12:59:56,270 combination with a more fine grained `package-data` configuration. 2025-09-09T12:59:56,270 You can read more about "package data files" on setuptools documentation page: 2025-09-09T12:59:56,271 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-09T12:59:56,271 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-09T12:59:56,271 even if it does not contain any `.py` files. 2025-09-09T12:59:56,271 On the other hand, currently there is no concept of package data 2025-09-09T12:59:56,271 directory, all directories are treated like packages. 2025-09-09T12:59:56,271 ******************************************************************************** 2025-09-09T12:59:56,271 !! 2025-09-09T12:59:56,271 check.warn(importable) 2025-09-09T12:59:56,271 /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. 2025-09-09T12:59:56,272 !! 2025-09-09T12:59:56,272 ******************************************************************************** 2025-09-09T12:59:56,272 ############################ 2025-09-09T12:59:56,272 # Package would be ignored # 2025-09-09T12:59:56,272 ############################ 2025-09-09T12:59:56,272 Python recognizes 'RASPA2.share.raspa.forcefield.CoreShellSastreGale2005' as an importable package[^1], 2025-09-09T12:59:56,272 but it is absent from setuptools' `packages` configuration. 2025-09-09T12:59:56,272 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-09T12:59:56,272 package, please make sure that 'RASPA2.share.raspa.forcefield.CoreShellSastreGale2005' is explicitly added 2025-09-09T12:59:56,272 to the `packages` configuration field. 2025-09-09T12:59:56,273 Alternatively, you can also rely on setuptools' discovery methods 2025-09-09T12:59:56,273 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-09T12:59:56,273 instead of `find_packages(...)`/`find:`). 2025-09-09T12:59:56,273 You can read more about "package discovery" on setuptools documentation page: 2025-09-09T12:59:56,273 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-09T12:59:56,273 If you don't want 'RASPA2.share.raspa.forcefield.CoreShellSastreGale2005' to be distributed and are 2025-09-09T12:59:56,273 already explicitly excluding 'RASPA2.share.raspa.forcefield.CoreShellSastreGale2005' via 2025-09-09T12:59:56,273 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-09T12:59:56,274 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-09T12:59:56,274 combination with a more fine grained `package-data` configuration. 2025-09-09T12:59:56,274 You can read more about "package data files" on setuptools documentation page: 2025-09-09T12:59:56,274 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-09T12:59:56,274 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-09T12:59:56,274 even if it does not contain any `.py` files. 2025-09-09T12:59:56,274 On the other hand, currently there is no concept of package data 2025-09-09T12:59:56,274 directory, all directories are treated like packages. 2025-09-09T12:59:56,275 ******************************************************************************** 2025-09-09T12:59:56,275 !! 2025-09-09T12:59:56,275 check.warn(importable) 2025-09-09T12:59:56,275 /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. 2025-09-09T12:59:56,275 !! 2025-09-09T12:59:56,275 ******************************************************************************** 2025-09-09T12:59:56,275 ############################ 2025-09-09T12:59:56,275 # Package would be ignored # 2025-09-09T12:59:56,275 ############################ 2025-09-09T12:59:56,275 Python recognizes 'RASPA2.share.raspa.forcefield.CoreShellSchroderSauer' as an importable package[^1], 2025-09-09T12:59:56,276 but it is absent from setuptools' `packages` configuration. 2025-09-09T12:59:56,276 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-09T12:59:56,276 package, please make sure that 'RASPA2.share.raspa.forcefield.CoreShellSchroderSauer' is explicitly added 2025-09-09T12:59:56,276 to the `packages` configuration field. 2025-09-09T12:59:56,276 Alternatively, you can also rely on setuptools' discovery methods 2025-09-09T12:59:56,276 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-09T12:59:56,276 instead of `find_packages(...)`/`find:`). 2025-09-09T12:59:56,276 You can read more about "package discovery" on setuptools documentation page: 2025-09-09T12:59:56,276 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-09T12:59:56,277 If you don't want 'RASPA2.share.raspa.forcefield.CoreShellSchroderSauer' to be distributed and are 2025-09-09T12:59:56,277 already explicitly excluding 'RASPA2.share.raspa.forcefield.CoreShellSchroderSauer' via 2025-09-09T12:59:56,277 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-09T12:59:56,277 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-09T12:59:56,277 combination with a more fine grained `package-data` configuration. 2025-09-09T12:59:56,277 You can read more about "package data files" on setuptools documentation page: 2025-09-09T12:59:56,277 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-09T12:59:56,278 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-09T12:59:56,278 even if it does not contain any `.py` files. 2025-09-09T12:59:56,278 On the other hand, currently there is no concept of package data 2025-09-09T12:59:56,278 directory, all directories are treated like packages. 2025-09-09T12:59:56,278 ******************************************************************************** 2025-09-09T12:59:56,278 !! 2025-09-09T12:59:56,278 check.warn(importable) 2025-09-09T12:59:56,278 /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. 2025-09-09T12:59:56,278 !! 2025-09-09T12:59:56,279 ******************************************************************************** 2025-09-09T12:59:56,279 ############################ 2025-09-09T12:59:56,279 # Package would be ignored # 2025-09-09T12:59:56,279 ############################ 2025-09-09T12:59:56,279 Python recognizes 'RASPA2.share.raspa.forcefield.CrystalGenerator' as an importable package[^1], 2025-09-09T12:59:56,279 but it is absent from setuptools' `packages` configuration. 2025-09-09T12:59:56,279 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-09T12:59:56,279 package, please make sure that 'RASPA2.share.raspa.forcefield.CrystalGenerator' is explicitly added 2025-09-09T12:59:56,279 to the `packages` configuration field. 2025-09-09T12:59:56,280 Alternatively, you can also rely on setuptools' discovery methods 2025-09-09T12:59:56,280 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-09T12:59:56,280 instead of `find_packages(...)`/`find:`). 2025-09-09T12:59:56,280 You can read more about "package discovery" on setuptools documentation page: 2025-09-09T12:59:56,280 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-09T12:59:56,280 If you don't want 'RASPA2.share.raspa.forcefield.CrystalGenerator' to be distributed and are 2025-09-09T12:59:56,280 already explicitly excluding 'RASPA2.share.raspa.forcefield.CrystalGenerator' via 2025-09-09T12:59:56,281 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-09T12:59:56,281 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-09T12:59:56,281 combination with a more fine grained `package-data` configuration. 2025-09-09T12:59:56,281 You can read more about "package data files" on setuptools documentation page: 2025-09-09T12:59:56,281 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-09T12:59:56,281 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-09T12:59:56,281 even if it does not contain any `.py` files. 2025-09-09T12:59:56,281 On the other hand, currently there is no concept of package data 2025-09-09T12:59:56,282 directory, all directories are treated like packages. 2025-09-09T12:59:56,282 ******************************************************************************** 2025-09-09T12:59:56,282 !! 2025-09-09T12:59:56,282 check.warn(importable) 2025-09-09T12:59:56,282 /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. 2025-09-09T12:59:56,282 !! 2025-09-09T12:59:56,282 ******************************************************************************** 2025-09-09T12:59:56,282 ############################ 2025-09-09T12:59:56,282 # Package would be ignored # 2025-09-09T12:59:56,283 ############################ 2025-09-09T12:59:56,283 Python recognizes 'RASPA2.share.raspa.forcefield' as an importable package[^1], 2025-09-09T12:59:56,283 but it is absent from setuptools' `packages` configuration. 2025-09-09T12:59:56,283 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-09T12:59:56,283 package, please make sure that 'RASPA2.share.raspa.forcefield' is explicitly added 2025-09-09T12:59:56,283 to the `packages` configuration field. 2025-09-09T12:59:56,283 Alternatively, you can also rely on setuptools' discovery methods 2025-09-09T12:59:56,283 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-09T12:59:56,283 instead of `find_packages(...)`/`find:`). 2025-09-09T12:59:56,284 You can read more about "package discovery" on setuptools documentation page: 2025-09-09T12:59:56,284 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-09T12:59:56,284 If you don't want 'RASPA2.share.raspa.forcefield' to be distributed and are 2025-09-09T12:59:56,284 already explicitly excluding 'RASPA2.share.raspa.forcefield' via 2025-09-09T12:59:56,284 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-09T12:59:56,284 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-09T12:59:56,284 combination with a more fine grained `package-data` configuration. 2025-09-09T12:59:56,284 You can read more about "package data files" on setuptools documentation page: 2025-09-09T12:59:56,285 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-09T12:59:56,285 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-09T12:59:56,285 even if it does not contain any `.py` files. 2025-09-09T12:59:56,285 On the other hand, currently there is no concept of package data 2025-09-09T12:59:56,285 directory, all directories are treated like packages. 2025-09-09T12:59:56,285 ******************************************************************************** 2025-09-09T12:59:56,285 !! 2025-09-09T12:59:56,286 check.warn(importable) 2025-09-09T12:59:56,286 /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. 2025-09-09T12:59:56,286 !! 2025-09-09T12:59:56,286 ******************************************************************************** 2025-09-09T12:59:56,286 ############################ 2025-09-09T12:59:56,286 # Package would be ignored # 2025-09-09T12:59:56,286 ############################ 2025-09-09T12:59:56,286 Python recognizes 'RASPA2.share.raspa.forcefield.GarciaPerez2006' as an importable package[^1], 2025-09-09T12:59:56,286 but it is absent from setuptools' `packages` configuration. 2025-09-09T12:59:56,287 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-09T12:59:56,287 package, please make sure that 'RASPA2.share.raspa.forcefield.GarciaPerez2006' is explicitly added 2025-09-09T12:59:56,287 to the `packages` configuration field. 2025-09-09T12:59:56,287 Alternatively, you can also rely on setuptools' discovery methods 2025-09-09T12:59:56,287 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-09T12:59:56,287 instead of `find_packages(...)`/`find:`). 2025-09-09T12:59:56,287 You can read more about "package discovery" on setuptools documentation page: 2025-09-09T12:59:56,287 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-09T12:59:56,288 If you don't want 'RASPA2.share.raspa.forcefield.GarciaPerez2006' to be distributed and are 2025-09-09T12:59:56,288 already explicitly excluding 'RASPA2.share.raspa.forcefield.GarciaPerez2006' via 2025-09-09T12:59:56,288 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-09T12:59:56,288 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-09T12:59:56,288 combination with a more fine grained `package-data` configuration. 2025-09-09T12:59:56,288 You can read more about "package data files" on setuptools documentation page: 2025-09-09T12:59:56,288 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-09T12:59:56,289 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-09T12:59:56,289 even if it does not contain any `.py` files. 2025-09-09T12:59:56,289 On the other hand, currently there is no concept of package data 2025-09-09T12:59:56,289 directory, all directories are treated like packages. 2025-09-09T12:59:56,289 ******************************************************************************** 2025-09-09T12:59:56,289 !! 2025-09-09T12:59:56,289 check.warn(importable) 2025-09-09T12:59:56,289 /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. 2025-09-09T12:59:56,289 !! 2025-09-09T12:59:56,290 ******************************************************************************** 2025-09-09T12:59:56,290 ############################ 2025-09-09T12:59:56,290 # Package would be ignored # 2025-09-09T12:59:56,290 ############################ 2025-09-09T12:59:56,290 Python recognizes 'RASPA2.share.raspa.forcefield.GenericMOFs' as an importable package[^1], 2025-09-09T12:59:56,290 but it is absent from setuptools' `packages` configuration. 2025-09-09T12:59:56,290 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-09T12:59:56,290 package, please make sure that 'RASPA2.share.raspa.forcefield.GenericMOFs' is explicitly added 2025-09-09T12:59:56,290 to the `packages` configuration field. 2025-09-09T12:59:56,291 Alternatively, you can also rely on setuptools' discovery methods 2025-09-09T12:59:56,291 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-09T12:59:56,291 instead of `find_packages(...)`/`find:`). 2025-09-09T12:59:56,291 You can read more about "package discovery" on setuptools documentation page: 2025-09-09T12:59:56,291 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-09T12:59:56,291 If you don't want 'RASPA2.share.raspa.forcefield.GenericMOFs' to be distributed and are 2025-09-09T12:59:56,291 already explicitly excluding 'RASPA2.share.raspa.forcefield.GenericMOFs' via 2025-09-09T12:59:56,291 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-09T12:59:56,292 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-09T12:59:56,292 combination with a more fine grained `package-data` configuration. 2025-09-09T12:59:56,292 You can read more about "package data files" on setuptools documentation page: 2025-09-09T12:59:56,292 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-09T12:59:56,292 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-09T12:59:56,292 even if it does not contain any `.py` files. 2025-09-09T12:59:56,292 On the other hand, currently there is no concept of package data 2025-09-09T12:59:56,293 directory, all directories are treated like packages. 2025-09-09T12:59:56,293 ******************************************************************************** 2025-09-09T12:59:56,293 !! 2025-09-09T12:59:56,293 check.warn(importable) 2025-09-09T12:59:56,293 /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. 2025-09-09T12:59:56,293 !! 2025-09-09T12:59:56,293 ******************************************************************************** 2025-09-09T12:59:56,293 ############################ 2025-09-09T12:59:56,293 # Package would be ignored # 2025-09-09T12:59:56,294 ############################ 2025-09-09T12:59:56,294 Python recognizes 'RASPA2.share.raspa.forcefield.GenericZeolites' as an importable package[^1], 2025-09-09T12:59:56,294 but it is absent from setuptools' `packages` configuration. 2025-09-09T12:59:56,294 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-09T12:59:56,294 package, please make sure that 'RASPA2.share.raspa.forcefield.GenericZeolites' is explicitly added 2025-09-09T12:59:56,294 to the `packages` configuration field. 2025-09-09T12:59:56,294 Alternatively, you can also rely on setuptools' discovery methods 2025-09-09T12:59:56,294 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-09T12:59:56,294 instead of `find_packages(...)`/`find:`). 2025-09-09T12:59:56,295 You can read more about "package discovery" on setuptools documentation page: 2025-09-09T12:59:56,295 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-09T12:59:56,295 If you don't want 'RASPA2.share.raspa.forcefield.GenericZeolites' to be distributed and are 2025-09-09T12:59:56,295 already explicitly excluding 'RASPA2.share.raspa.forcefield.GenericZeolites' via 2025-09-09T12:59:56,295 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-09T12:59:56,295 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-09T12:59:56,295 combination with a more fine grained `package-data` configuration. 2025-09-09T12:59:56,296 You can read more about "package data files" on setuptools documentation page: 2025-09-09T12:59:56,296 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-09T12:59:56,296 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-09T12:59:56,296 even if it does not contain any `.py` files. 2025-09-09T12:59:56,296 On the other hand, currently there is no concept of package data 2025-09-09T12:59:56,296 directory, all directories are treated like packages. 2025-09-09T12:59:56,296 ******************************************************************************** 2025-09-09T12:59:56,297 !! 2025-09-09T12:59:56,297 check.warn(importable) 2025-09-09T12:59:56,297 /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. 2025-09-09T12:59:56,297 !! 2025-09-09T12:59:56,297 ******************************************************************************** 2025-09-09T12:59:56,297 ############################ 2025-09-09T12:59:56,297 # Package would be ignored # 2025-09-09T12:59:56,297 ############################ 2025-09-09T12:59:56,297 Python recognizes 'RASPA2.share.raspa.forcefield.Nicholas' as an importable package[^1], 2025-09-09T12:59:56,297 but it is absent from setuptools' `packages` configuration. 2025-09-09T12:59:56,298 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-09T12:59:56,298 package, please make sure that 'RASPA2.share.raspa.forcefield.Nicholas' is explicitly added 2025-09-09T12:59:56,298 to the `packages` configuration field. 2025-09-09T12:59:56,298 Alternatively, you can also rely on setuptools' discovery methods 2025-09-09T12:59:56,298 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-09T12:59:56,298 instead of `find_packages(...)`/`find:`). 2025-09-09T12:59:56,298 You can read more about "package discovery" on setuptools documentation page: 2025-09-09T12:59:56,299 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-09T12:59:56,299 If you don't want 'RASPA2.share.raspa.forcefield.Nicholas' to be distributed and are 2025-09-09T12:59:56,299 already explicitly excluding 'RASPA2.share.raspa.forcefield.Nicholas' via 2025-09-09T12:59:56,299 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-09T12:59:56,299 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-09T12:59:56,299 combination with a more fine grained `package-data` configuration. 2025-09-09T12:59:56,299 You can read more about "package data files" on setuptools documentation page: 2025-09-09T12:59:56,299 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-09T12:59:56,300 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-09T12:59:56,300 even if it does not contain any `.py` files. 2025-09-09T12:59:56,300 On the other hand, currently there is no concept of package data 2025-09-09T12:59:56,300 directory, all directories are treated like packages. 2025-09-09T12:59:56,300 ******************************************************************************** 2025-09-09T12:59:56,300 !! 2025-09-09T12:59:56,300 check.warn(importable) 2025-09-09T12:59:56,300 /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. 2025-09-09T12:59:56,300 !! 2025-09-09T12:59:56,301 ******************************************************************************** 2025-09-09T12:59:56,301 ############################ 2025-09-09T12:59:56,301 # Package would be ignored # 2025-09-09T12:59:56,301 ############################ 2025-09-09T12:59:56,301 Python recognizes 'RASPA2.share.raspa.forcefield.Pascual2004' as an importable package[^1], 2025-09-09T12:59:56,301 but it is absent from setuptools' `packages` configuration. 2025-09-09T12:59:56,301 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-09T12:59:56,301 package, please make sure that 'RASPA2.share.raspa.forcefield.Pascual2004' is explicitly added 2025-09-09T12:59:56,301 to the `packages` configuration field. 2025-09-09T12:59:56,302 Alternatively, you can also rely on setuptools' discovery methods 2025-09-09T12:59:56,302 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-09T12:59:56,302 instead of `find_packages(...)`/`find:`). 2025-09-09T12:59:56,302 You can read more about "package discovery" on setuptools documentation page: 2025-09-09T12:59:56,302 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-09T12:59:56,302 If you don't want 'RASPA2.share.raspa.forcefield.Pascual2004' to be distributed and are 2025-09-09T12:59:56,302 already explicitly excluding 'RASPA2.share.raspa.forcefield.Pascual2004' via 2025-09-09T12:59:56,302 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-09T12:59:56,302 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-09T12:59:56,303 combination with a more fine grained `package-data` configuration. 2025-09-09T12:59:56,303 You can read more about "package data files" on setuptools documentation page: 2025-09-09T12:59:56,303 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-09T12:59:56,303 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-09T12:59:56,303 even if it does not contain any `.py` files. 2025-09-09T12:59:56,303 On the other hand, currently there is no concept of package data 2025-09-09T12:59:56,303 directory, all directories are treated like packages. 2025-09-09T12:59:56,303 ******************************************************************************** 2025-09-09T12:59:56,304 !! 2025-09-09T12:59:56,304 check.warn(importable) 2025-09-09T12:59:56,304 /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. 2025-09-09T12:59:56,304 !! 2025-09-09T12:59:56,304 ******************************************************************************** 2025-09-09T12:59:56,304 ############################ 2025-09-09T12:59:56,304 # Package would be ignored # 2025-09-09T12:59:56,304 ############################ 2025-09-09T12:59:56,304 Python recognizes 'RASPA2.share.raspa.forcefield.RigidIonKramer1991' as an importable package[^1], 2025-09-09T12:59:56,304 but it is absent from setuptools' `packages` configuration. 2025-09-09T12:59:56,305 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-09T12:59:56,305 package, please make sure that 'RASPA2.share.raspa.forcefield.RigidIonKramer1991' is explicitly added 2025-09-09T12:59:56,305 to the `packages` configuration field. 2025-09-09T12:59:56,305 Alternatively, you can also rely on setuptools' discovery methods 2025-09-09T12:59:56,305 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-09T12:59:56,305 instead of `find_packages(...)`/`find:`). 2025-09-09T12:59:56,305 You can read more about "package discovery" on setuptools documentation page: 2025-09-09T12:59:56,305 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-09T12:59:56,306 If you don't want 'RASPA2.share.raspa.forcefield.RigidIonKramer1991' to be distributed and are 2025-09-09T12:59:56,306 already explicitly excluding 'RASPA2.share.raspa.forcefield.RigidIonKramer1991' via 2025-09-09T12:59:56,306 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-09T12:59:56,306 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-09T12:59:56,306 combination with a more fine grained `package-data` configuration. 2025-09-09T12:59:56,306 You can read more about "package data files" on setuptools documentation page: 2025-09-09T12:59:56,306 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-09T12:59:56,307 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-09T12:59:56,307 even if it does not contain any `.py` files. 2025-09-09T12:59:56,307 On the other hand, currently there is no concept of package data 2025-09-09T12:59:56,307 directory, all directories are treated like packages. 2025-09-09T12:59:56,307 ******************************************************************************** 2025-09-09T12:59:56,307 !! 2025-09-09T12:59:56,307 check.warn(importable) 2025-09-09T12:59:56,307 /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. 2025-09-09T12:59:56,307 !! 2025-09-09T12:59:56,308 ******************************************************************************** 2025-09-09T12:59:56,308 ############################ 2025-09-09T12:59:56,308 # Package would be ignored # 2025-09-09T12:59:56,308 ############################ 2025-09-09T12:59:56,308 Python recognizes 'RASPA2.share.raspa.forcefield.TraPPE' as an importable package[^1], 2025-09-09T12:59:56,308 but it is absent from setuptools' `packages` configuration. 2025-09-09T12:59:56,308 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-09T12:59:56,308 package, please make sure that 'RASPA2.share.raspa.forcefield.TraPPE' is explicitly added 2025-09-09T12:59:56,308 to the `packages` configuration field. 2025-09-09T12:59:56,308 Alternatively, you can also rely on setuptools' discovery methods 2025-09-09T12:59:56,309 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-09T12:59:56,309 instead of `find_packages(...)`/`find:`). 2025-09-09T12:59:56,309 You can read more about "package discovery" on setuptools documentation page: 2025-09-09T12:59:56,309 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-09T12:59:56,309 If you don't want 'RASPA2.share.raspa.forcefield.TraPPE' to be distributed and are 2025-09-09T12:59:56,309 already explicitly excluding 'RASPA2.share.raspa.forcefield.TraPPE' via 2025-09-09T12:59:56,309 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-09T12:59:56,309 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-09T12:59:56,309 combination with a more fine grained `package-data` configuration. 2025-09-09T12:59:56,310 You can read more about "package data files" on setuptools documentation page: 2025-09-09T12:59:56,310 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-09T12:59:56,310 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-09T12:59:56,310 even if it does not contain any `.py` files. 2025-09-09T12:59:56,310 On the other hand, currently there is no concept of package data 2025-09-09T12:59:56,310 directory, all directories are treated like packages. 2025-09-09T12:59:56,310 ******************************************************************************** 2025-09-09T12:59:56,311 !! 2025-09-09T12:59:56,311 check.warn(importable) 2025-09-09T12:59:56,311 /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. 2025-09-09T12:59:56,311 !! 2025-09-09T12:59:56,311 ******************************************************************************** 2025-09-09T12:59:56,311 ############################ 2025-09-09T12:59:56,311 # Package would be ignored # 2025-09-09T12:59:56,311 ############################ 2025-09-09T12:59:56,311 Python recognizes 'RASPA2.share.raspa.framework.AmirjalayerSchmid' as an importable package[^1], 2025-09-09T12:59:56,311 but it is absent from setuptools' `packages` configuration. 2025-09-09T12:59:56,312 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-09T12:59:56,312 package, please make sure that 'RASPA2.share.raspa.framework.AmirjalayerSchmid' is explicitly added 2025-09-09T12:59:56,312 to the `packages` configuration field. 2025-09-09T12:59:56,312 Alternatively, you can also rely on setuptools' discovery methods 2025-09-09T12:59:56,312 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-09T12:59:56,312 instead of `find_packages(...)`/`find:`). 2025-09-09T12:59:56,312 You can read more about "package discovery" on setuptools documentation page: 2025-09-09T12:59:56,312 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-09T12:59:56,313 If you don't want 'RASPA2.share.raspa.framework.AmirjalayerSchmid' to be distributed and are 2025-09-09T12:59:56,313 already explicitly excluding 'RASPA2.share.raspa.framework.AmirjalayerSchmid' via 2025-09-09T12:59:56,313 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-09T12:59:56,313 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-09T12:59:56,313 combination with a more fine grained `package-data` configuration. 2025-09-09T12:59:56,313 You can read more about "package data files" on setuptools documentation page: 2025-09-09T12:59:56,313 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-09T12:59:56,313 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-09T12:59:56,314 even if it does not contain any `.py` files. 2025-09-09T12:59:56,314 On the other hand, currently there is no concept of package data 2025-09-09T12:59:56,314 directory, all directories are treated like packages. 2025-09-09T12:59:56,314 ******************************************************************************** 2025-09-09T12:59:56,314 !! 2025-09-09T12:59:56,314 check.warn(importable) 2025-09-09T12:59:56,314 /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. 2025-09-09T12:59:56,314 !! 2025-09-09T12:59:56,314 ******************************************************************************** 2025-09-09T12:59:56,314 ############################ 2025-09-09T12:59:56,315 # Package would be ignored # 2025-09-09T12:59:56,315 ############################ 2025-09-09T12:59:56,315 Python recognizes 'RASPA2.share.raspa.framework.CoreShellCatlow' as an importable package[^1], 2025-09-09T12:59:56,315 but it is absent from setuptools' `packages` configuration. 2025-09-09T12:59:56,315 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-09T12:59:56,315 package, please make sure that 'RASPA2.share.raspa.framework.CoreShellCatlow' is explicitly added 2025-09-09T12:59:56,315 to the `packages` configuration field. 2025-09-09T12:59:56,315 Alternatively, you can also rely on setuptools' discovery methods 2025-09-09T12:59:56,315 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-09T12:59:56,315 instead of `find_packages(...)`/`find:`). 2025-09-09T12:59:56,316 You can read more about "package discovery" on setuptools documentation page: 2025-09-09T12:59:56,316 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-09T12:59:56,316 If you don't want 'RASPA2.share.raspa.framework.CoreShellCatlow' to be distributed and are 2025-09-09T12:59:56,316 already explicitly excluding 'RASPA2.share.raspa.framework.CoreShellCatlow' via 2025-09-09T12:59:56,316 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-09T12:59:56,316 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-09T12:59:56,316 combination with a more fine grained `package-data` configuration. 2025-09-09T12:59:56,316 You can read more about "package data files" on setuptools documentation page: 2025-09-09T12:59:56,317 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-09T12:59:56,317 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-09T12:59:56,317 even if it does not contain any `.py` files. 2025-09-09T12:59:56,317 On the other hand, currently there is no concept of package data 2025-09-09T12:59:56,317 directory, all directories are treated like packages. 2025-09-09T12:59:56,317 ******************************************************************************** 2025-09-09T12:59:56,317 !! 2025-09-09T12:59:56,318 check.warn(importable) 2025-09-09T12:59:56,318 /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. 2025-09-09T12:59:56,318 !! 2025-09-09T12:59:56,318 ******************************************************************************** 2025-09-09T12:59:56,318 ############################ 2025-09-09T12:59:56,318 # Package would be ignored # 2025-09-09T12:59:56,318 ############################ 2025-09-09T12:59:56,318 Python recognizes 'RASPA2.share.raspa.framework.CoreShellSastreGale2005' as an importable package[^1], 2025-09-09T12:59:56,318 but it is absent from setuptools' `packages` configuration. 2025-09-09T12:59:56,319 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-09T12:59:56,319 package, please make sure that 'RASPA2.share.raspa.framework.CoreShellSastreGale2005' is explicitly added 2025-09-09T12:59:56,319 to the `packages` configuration field. 2025-09-09T12:59:56,319 Alternatively, you can also rely on setuptools' discovery methods 2025-09-09T12:59:56,319 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-09T12:59:56,319 instead of `find_packages(...)`/`find:`). 2025-09-09T12:59:56,319 You can read more about "package discovery" on setuptools documentation page: 2025-09-09T12:59:56,319 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-09T12:59:56,320 If you don't want 'RASPA2.share.raspa.framework.CoreShellSastreGale2005' to be distributed and are 2025-09-09T12:59:56,320 already explicitly excluding 'RASPA2.share.raspa.framework.CoreShellSastreGale2005' via 2025-09-09T12:59:56,320 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-09T12:59:56,320 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-09T12:59:56,320 combination with a more fine grained `package-data` configuration. 2025-09-09T12:59:56,320 You can read more about "package data files" on setuptools documentation page: 2025-09-09T12:59:56,320 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-09T12:59:56,320 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-09T12:59:56,321 even if it does not contain any `.py` files. 2025-09-09T12:59:56,321 On the other hand, currently there is no concept of package data 2025-09-09T12:59:56,321 directory, all directories are treated like packages. 2025-09-09T12:59:56,321 ******************************************************************************** 2025-09-09T12:59:56,321 !! 2025-09-09T12:59:56,321 check.warn(importable) 2025-09-09T12:59:56,321 /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. 2025-09-09T12:59:56,321 !! 2025-09-09T12:59:56,321 ******************************************************************************** 2025-09-09T12:59:56,321 ############################ 2025-09-09T12:59:56,322 # Package would be ignored # 2025-09-09T12:59:56,322 ############################ 2025-09-09T12:59:56,322 Python recognizes 'RASPA2.share.raspa.framework.CoreShellSchroderSauer' as an importable package[^1], 2025-09-09T12:59:56,322 but it is absent from setuptools' `packages` configuration. 2025-09-09T12:59:56,322 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-09T12:59:56,322 package, please make sure that 'RASPA2.share.raspa.framework.CoreShellSchroderSauer' is explicitly added 2025-09-09T12:59:56,322 to the `packages` configuration field. 2025-09-09T12:59:56,322 Alternatively, you can also rely on setuptools' discovery methods 2025-09-09T12:59:56,322 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-09T12:59:56,322 instead of `find_packages(...)`/`find:`). 2025-09-09T12:59:56,323 You can read more about "package discovery" on setuptools documentation page: 2025-09-09T12:59:56,323 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-09T12:59:56,323 If you don't want 'RASPA2.share.raspa.framework.CoreShellSchroderSauer' to be distributed and are 2025-09-09T12:59:56,323 already explicitly excluding 'RASPA2.share.raspa.framework.CoreShellSchroderSauer' via 2025-09-09T12:59:56,323 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-09T12:59:56,323 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-09T12:59:56,323 combination with a more fine grained `package-data` configuration. 2025-09-09T12:59:56,323 You can read more about "package data files" on setuptools documentation page: 2025-09-09T12:59:56,324 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-09T12:59:56,324 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-09T12:59:56,324 even if it does not contain any `.py` files. 2025-09-09T12:59:56,324 On the other hand, currently there is no concept of package data 2025-09-09T12:59:56,324 directory, all directories are treated like packages. 2025-09-09T12:59:56,324 ******************************************************************************** 2025-09-09T12:59:56,324 !! 2025-09-09T12:59:56,324 check.warn(importable) 2025-09-09T12:59:56,324 /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. 2025-09-09T12:59:56,325 !! 2025-09-09T12:59:56,325 ******************************************************************************** 2025-09-09T12:59:56,325 ############################ 2025-09-09T12:59:56,325 # Package would be ignored # 2025-09-09T12:59:56,325 ############################ 2025-09-09T12:59:56,325 Python recognizes 'RASPA2.share.raspa.framework.Demontis' as an importable package[^1], 2025-09-09T12:59:56,325 but it is absent from setuptools' `packages` configuration. 2025-09-09T12:59:56,325 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-09T12:59:56,325 package, please make sure that 'RASPA2.share.raspa.framework.Demontis' is explicitly added 2025-09-09T12:59:56,325 to the `packages` configuration field. 2025-09-09T12:59:56,326 Alternatively, you can also rely on setuptools' discovery methods 2025-09-09T12:59:56,326 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-09T12:59:56,326 instead of `find_packages(...)`/`find:`). 2025-09-09T12:59:56,326 You can read more about "package discovery" on setuptools documentation page: 2025-09-09T12:59:56,326 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-09T12:59:56,326 If you don't want 'RASPA2.share.raspa.framework.Demontis' to be distributed and are 2025-09-09T12:59:56,326 already explicitly excluding 'RASPA2.share.raspa.framework.Demontis' via 2025-09-09T12:59:56,326 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-09T12:59:56,327 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-09T12:59:56,327 combination with a more fine grained `package-data` configuration. 2025-09-09T12:59:56,327 You can read more about "package data files" on setuptools documentation page: 2025-09-09T12:59:56,327 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-09T12:59:56,327 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-09T12:59:56,327 even if it does not contain any `.py` files. 2025-09-09T12:59:56,327 On the other hand, currently there is no concept of package data 2025-09-09T12:59:56,327 directory, all directories are treated like packages. 2025-09-09T12:59:56,328 ******************************************************************************** 2025-09-09T12:59:56,328 !! 2025-09-09T12:59:56,328 check.warn(importable) 2025-09-09T12:59:56,328 /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. 2025-09-09T12:59:56,328 !! 2025-09-09T12:59:56,328 ******************************************************************************** 2025-09-09T12:59:56,328 ############################ 2025-09-09T12:59:56,328 # Package would be ignored # 2025-09-09T12:59:56,328 ############################ 2025-09-09T12:59:56,329 Python recognizes 'RASPA2.share.raspa.framework.DemontisModified' as an importable package[^1], 2025-09-09T12:59:56,329 but it is absent from setuptools' `packages` configuration. 2025-09-09T12:59:56,329 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-09T12:59:56,329 package, please make sure that 'RASPA2.share.raspa.framework.DemontisModified' is explicitly added 2025-09-09T12:59:56,329 to the `packages` configuration field. 2025-09-09T12:59:56,329 Alternatively, you can also rely on setuptools' discovery methods 2025-09-09T12:59:56,329 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-09T12:59:56,329 instead of `find_packages(...)`/`find:`). 2025-09-09T12:59:56,329 You can read more about "package discovery" on setuptools documentation page: 2025-09-09T12:59:56,330 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-09T12:59:56,330 If you don't want 'RASPA2.share.raspa.framework.DemontisModified' to be distributed and are 2025-09-09T12:59:56,330 already explicitly excluding 'RASPA2.share.raspa.framework.DemontisModified' via 2025-09-09T12:59:56,330 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-09T12:59:56,330 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-09T12:59:56,330 combination with a more fine grained `package-data` configuration. 2025-09-09T12:59:56,330 You can read more about "package data files" on setuptools documentation page: 2025-09-09T12:59:56,330 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-09T12:59:56,331 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-09T12:59:56,331 even if it does not contain any `.py` files. 2025-09-09T12:59:56,331 On the other hand, currently there is no concept of package data 2025-09-09T12:59:56,331 directory, all directories are treated like packages. 2025-09-09T12:59:56,331 ******************************************************************************** 2025-09-09T12:59:56,331 !! 2025-09-09T12:59:56,331 check.warn(importable) 2025-09-09T12:59:56,331 /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. 2025-09-09T12:59:56,332 !! 2025-09-09T12:59:56,332 ******************************************************************************** 2025-09-09T12:59:56,332 ############################ 2025-09-09T12:59:56,332 # Package would be ignored # 2025-09-09T12:59:56,332 ############################ 2025-09-09T12:59:56,332 Python recognizes 'RASPA2.share.raspa.framework' as an importable package[^1], 2025-09-09T12:59:56,332 but it is absent from setuptools' `packages` configuration. 2025-09-09T12:59:56,332 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-09T12:59:56,332 package, please make sure that 'RASPA2.share.raspa.framework' is explicitly added 2025-09-09T12:59:56,332 to the `packages` configuration field. 2025-09-09T12:59:56,333 Alternatively, you can also rely on setuptools' discovery methods 2025-09-09T12:59:56,333 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-09T12:59:56,333 instead of `find_packages(...)`/`find:`). 2025-09-09T12:59:56,333 You can read more about "package discovery" on setuptools documentation page: 2025-09-09T12:59:56,333 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-09T12:59:56,333 If you don't want 'RASPA2.share.raspa.framework' to be distributed and are 2025-09-09T12:59:56,333 already explicitly excluding 'RASPA2.share.raspa.framework' via 2025-09-09T12:59:56,334 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-09T12:59:56,334 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-09T12:59:56,334 combination with a more fine grained `package-data` configuration. 2025-09-09T12:59:56,334 You can read more about "package data files" on setuptools documentation page: 2025-09-09T12:59:56,334 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-09T12:59:56,334 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-09T12:59:56,334 even if it does not contain any `.py` files. 2025-09-09T12:59:56,334 On the other hand, currently there is no concept of package data 2025-09-09T12:59:56,335 directory, all directories are treated like packages. 2025-09-09T12:59:56,335 ******************************************************************************** 2025-09-09T12:59:56,335 !! 2025-09-09T12:59:56,335 check.warn(importable) 2025-09-09T12:59:56,335 /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. 2025-09-09T12:59:56,335 !! 2025-09-09T12:59:56,335 ******************************************************************************** 2025-09-09T12:59:56,335 ############################ 2025-09-09T12:59:56,335 # Package would be ignored # 2025-09-09T12:59:56,335 ############################ 2025-09-09T12:59:56,336 Python recognizes 'RASPA2.share.raspa.framework.Nicholas' as an importable package[^1], 2025-09-09T12:59:56,336 but it is absent from setuptools' `packages` configuration. 2025-09-09T12:59:56,336 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-09T12:59:56,336 package, please make sure that 'RASPA2.share.raspa.framework.Nicholas' is explicitly added 2025-09-09T12:59:56,336 to the `packages` configuration field. 2025-09-09T12:59:56,336 Alternatively, you can also rely on setuptools' discovery methods 2025-09-09T12:59:56,336 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-09T12:59:56,336 instead of `find_packages(...)`/`find:`). 2025-09-09T12:59:56,336 You can read more about "package discovery" on setuptools documentation page: 2025-09-09T12:59:56,337 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-09T12:59:56,337 If you don't want 'RASPA2.share.raspa.framework.Nicholas' to be distributed and are 2025-09-09T12:59:56,337 already explicitly excluding 'RASPA2.share.raspa.framework.Nicholas' via 2025-09-09T12:59:56,337 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-09T12:59:56,337 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-09T12:59:56,337 combination with a more fine grained `package-data` configuration. 2025-09-09T12:59:56,337 You can read more about "package data files" on setuptools documentation page: 2025-09-09T12:59:56,338 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-09T12:59:56,338 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-09T12:59:56,338 even if it does not contain any `.py` files. 2025-09-09T12:59:56,338 On the other hand, currently there is no concept of package data 2025-09-09T12:59:56,338 directory, all directories are treated like packages. 2025-09-09T12:59:56,338 ******************************************************************************** 2025-09-09T12:59:56,338 !! 2025-09-09T12:59:56,338 check.warn(importable) 2025-09-09T12:59:56,338 /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. 2025-09-09T12:59:56,339 !! 2025-09-09T12:59:56,339 ******************************************************************************** 2025-09-09T12:59:56,339 ############################ 2025-09-09T12:59:56,339 # Package would be ignored # 2025-09-09T12:59:56,339 ############################ 2025-09-09T12:59:56,339 Python recognizes 'RASPA2.share.raspa.framework.NicholasModified' as an importable package[^1], 2025-09-09T12:59:56,339 but it is absent from setuptools' `packages` configuration. 2025-09-09T12:59:56,339 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-09T12:59:56,339 package, please make sure that 'RASPA2.share.raspa.framework.NicholasModified' is explicitly added 2025-09-09T12:59:56,339 to the `packages` configuration field. 2025-09-09T12:59:56,340 Alternatively, you can also rely on setuptools' discovery methods 2025-09-09T12:59:56,340 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-09T12:59:56,340 instead of `find_packages(...)`/`find:`). 2025-09-09T12:59:56,340 You can read more about "package discovery" on setuptools documentation page: 2025-09-09T12:59:56,340 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-09T12:59:56,340 If you don't want 'RASPA2.share.raspa.framework.NicholasModified' to be distributed and are 2025-09-09T12:59:56,340 already explicitly excluding 'RASPA2.share.raspa.framework.NicholasModified' via 2025-09-09T12:59:56,341 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-09T12:59:56,341 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-09T12:59:56,341 combination with a more fine grained `package-data` configuration. 2025-09-09T12:59:56,341 You can read more about "package data files" on setuptools documentation page: 2025-09-09T12:59:56,341 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-09T12:59:56,341 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-09T12:59:56,341 even if it does not contain any `.py` files. 2025-09-09T12:59:56,341 On the other hand, currently there is no concept of package data 2025-09-09T12:59:56,342 directory, all directories are treated like packages. 2025-09-09T12:59:56,342 ******************************************************************************** 2025-09-09T12:59:56,342 !! 2025-09-09T12:59:56,342 check.warn(importable) 2025-09-09T12:59:56,342 /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. 2025-09-09T12:59:56,342 !! 2025-09-09T12:59:56,342 ******************************************************************************** 2025-09-09T12:59:56,342 ############################ 2025-09-09T12:59:56,342 # Package would be ignored # 2025-09-09T12:59:56,342 ############################ 2025-09-09T12:59:56,343 Python recognizes 'RASPA2.share.raspa.molecules.CastilloVlugtCalero2009' as an importable package[^1], 2025-09-09T12:59:56,343 but it is absent from setuptools' `packages` configuration. 2025-09-09T12:59:56,343 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-09T12:59:56,343 package, please make sure that 'RASPA2.share.raspa.molecules.CastilloVlugtCalero2009' is explicitly added 2025-09-09T12:59:56,343 to the `packages` configuration field. 2025-09-09T12:59:56,343 Alternatively, you can also rely on setuptools' discovery methods 2025-09-09T12:59:56,343 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-09T12:59:56,343 instead of `find_packages(...)`/`find:`). 2025-09-09T12:59:56,343 You can read more about "package discovery" on setuptools documentation page: 2025-09-09T12:59:56,344 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-09T12:59:56,344 If you don't want 'RASPA2.share.raspa.molecules.CastilloVlugtCalero2009' to be distributed and are 2025-09-09T12:59:56,344 already explicitly excluding 'RASPA2.share.raspa.molecules.CastilloVlugtCalero2009' via 2025-09-09T12:59:56,344 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-09T12:59:56,344 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-09T12:59:56,344 combination with a more fine grained `package-data` configuration. 2025-09-09T12:59:56,344 You can read more about "package data files" on setuptools documentation page: 2025-09-09T12:59:56,345 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-09T12:59:56,345 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-09T12:59:56,345 even if it does not contain any `.py` files. 2025-09-09T12:59:56,345 On the other hand, currently there is no concept of package data 2025-09-09T12:59:56,345 directory, all directories are treated like packages. 2025-09-09T12:59:56,345 ******************************************************************************** 2025-09-09T12:59:56,345 !! 2025-09-09T12:59:56,345 check.warn(importable) 2025-09-09T12:59:56,345 /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. 2025-09-09T12:59:56,346 !! 2025-09-09T12:59:56,346 ******************************************************************************** 2025-09-09T12:59:56,346 ############################ 2025-09-09T12:59:56,346 # Package would be ignored # 2025-09-09T12:59:56,346 ############################ 2025-09-09T12:59:56,346 Python recognizes 'RASPA2.share.raspa.molecules.EPM2' as an importable package[^1], 2025-09-09T12:59:56,346 but it is absent from setuptools' `packages` configuration. 2025-09-09T12:59:56,346 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-09T12:59:56,346 package, please make sure that 'RASPA2.share.raspa.molecules.EPM2' is explicitly added 2025-09-09T12:59:56,347 to the `packages` configuration field. 2025-09-09T12:59:56,347 Alternatively, you can also rely on setuptools' discovery methods 2025-09-09T12:59:56,347 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-09T12:59:56,347 instead of `find_packages(...)`/`find:`). 2025-09-09T12:59:56,347 You can read more about "package discovery" on setuptools documentation page: 2025-09-09T12:59:56,347 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-09T12:59:56,347 If you don't want 'RASPA2.share.raspa.molecules.EPM2' to be distributed and are 2025-09-09T12:59:56,347 already explicitly excluding 'RASPA2.share.raspa.molecules.EPM2' via 2025-09-09T12:59:56,348 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-09T12:59:56,348 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-09T12:59:56,348 combination with a more fine grained `package-data` configuration. 2025-09-09T12:59:56,348 You can read more about "package data files" on setuptools documentation page: 2025-09-09T12:59:56,348 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-09T12:59:56,348 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-09T12:59:56,348 even if it does not contain any `.py` files. 2025-09-09T12:59:56,349 On the other hand, currently there is no concept of package data 2025-09-09T12:59:56,349 directory, all directories are treated like packages. 2025-09-09T12:59:56,349 ******************************************************************************** 2025-09-09T12:59:56,349 !! 2025-09-09T12:59:56,349 check.warn(importable) 2025-09-09T12:59:56,349 /usr/local/lib/python3.13/dist-packages/setuptools/command/build_py.py:212: _Warning: Package 'RASPA2.share.raspa.molecules.Generic' is absent from the `packages` configuration. 2025-09-09T12:59:56,349 !! 2025-09-09T12:59:56,349 ******************************************************************************** 2025-09-09T12:59:56,349 ############################ 2025-09-09T12:59:56,349 # Package would be ignored # 2025-09-09T12:59:56,350 ############################ 2025-09-09T12:59:56,350 Python recognizes 'RASPA2.share.raspa.molecules.Generic' as an importable package[^1], 2025-09-09T12:59:56,350 but it is absent from setuptools' `packages` configuration. 2025-09-09T12:59:56,350 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-09T12:59:56,350 package, please make sure that 'RASPA2.share.raspa.molecules.Generic' is explicitly added 2025-09-09T12:59:56,350 to the `packages` configuration field. 2025-09-09T12:59:56,350 Alternatively, you can also rely on setuptools' discovery methods 2025-09-09T12:59:56,350 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-09T12:59:56,350 instead of `find_packages(...)`/`find:`). 2025-09-09T12:59:56,351 You can read more about "package discovery" on setuptools documentation page: 2025-09-09T12:59:56,351 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-09T12:59:56,351 If you don't want 'RASPA2.share.raspa.molecules.Generic' to be distributed and are 2025-09-09T12:59:56,351 already explicitly excluding 'RASPA2.share.raspa.molecules.Generic' via 2025-09-09T12:59:56,351 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-09T12:59:56,351 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-09T12:59:56,351 combination with a more fine grained `package-data` configuration. 2025-09-09T12:59:56,351 You can read more about "package data files" on setuptools documentation page: 2025-09-09T12:59:56,352 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-09T12:59:56,352 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-09T12:59:56,352 even if it does not contain any `.py` files. 2025-09-09T12:59:56,352 On the other hand, currently there is no concept of package data 2025-09-09T12:59:56,352 directory, all directories are treated like packages. 2025-09-09T12:59:56,352 ******************************************************************************** 2025-09-09T12:59:56,352 !! 2025-09-09T12:59:56,352 check.warn(importable) 2025-09-09T12:59:56,353 /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. 2025-09-09T12:59:56,353 !! 2025-09-09T12:59:56,353 ******************************************************************************** 2025-09-09T12:59:56,353 ############################ 2025-09-09T12:59:56,353 # Package would be ignored # 2025-09-09T12:59:56,353 ############################ 2025-09-09T12:59:56,353 Python recognizes 'RASPA2.share.raspa.molecules.TraPPE' as an importable package[^1], 2025-09-09T12:59:56,353 but it is absent from setuptools' `packages` configuration. 2025-09-09T12:59:56,353 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-09T12:59:56,353 package, please make sure that 'RASPA2.share.raspa.molecules.TraPPE' is explicitly added 2025-09-09T12:59:56,354 to the `packages` configuration field. 2025-09-09T12:59:56,354 Alternatively, you can also rely on setuptools' discovery methods 2025-09-09T12:59:56,354 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-09T12:59:56,354 instead of `find_packages(...)`/`find:`). 2025-09-09T12:59:56,354 You can read more about "package discovery" on setuptools documentation page: 2025-09-09T12:59:56,354 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-09T12:59:56,354 If you don't want 'RASPA2.share.raspa.molecules.TraPPE' to be distributed and are 2025-09-09T12:59:56,354 already explicitly excluding 'RASPA2.share.raspa.molecules.TraPPE' via 2025-09-09T12:59:56,355 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-09T12:59:56,355 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-09T12:59:56,355 combination with a more fine grained `package-data` configuration. 2025-09-09T12:59:56,355 You can read more about "package data files" on setuptools documentation page: 2025-09-09T12:59:56,355 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-09T12:59:56,355 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-09T12:59:56,355 even if it does not contain any `.py` files. 2025-09-09T12:59:56,355 On the other hand, currently there is no concept of package data 2025-09-09T12:59:56,356 directory, all directories are treated like packages. 2025-09-09T12:59:56,356 ******************************************************************************** 2025-09-09T12:59:56,356 !! 2025-09-09T12:59:56,356 check.warn(importable) 2025-09-09T12:59:56,356 /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. 2025-09-09T12:59:56,356 !! 2025-09-09T12:59:56,356 ******************************************************************************** 2025-09-09T12:59:56,356 ############################ 2025-09-09T12:59:56,356 # Package would be ignored # 2025-09-09T12:59:56,356 ############################ 2025-09-09T12:59:56,357 Python recognizes 'RASPA2.share.raspa.molecules' as an importable package[^1], 2025-09-09T12:59:56,357 but it is absent from setuptools' `packages` configuration. 2025-09-09T12:59:56,357 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-09T12:59:56,357 package, please make sure that 'RASPA2.share.raspa.molecules' is explicitly added 2025-09-09T12:59:56,357 to the `packages` configuration field. 2025-09-09T12:59:56,357 Alternatively, you can also rely on setuptools' discovery methods 2025-09-09T12:59:56,357 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-09T12:59:56,357 instead of `find_packages(...)`/`find:`). 2025-09-09T12:59:56,358 You can read more about "package discovery" on setuptools documentation page: 2025-09-09T12:59:56,358 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-09T12:59:56,358 If you don't want 'RASPA2.share.raspa.molecules' to be distributed and are 2025-09-09T12:59:56,358 already explicitly excluding 'RASPA2.share.raspa.molecules' via 2025-09-09T12:59:56,358 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-09T12:59:56,358 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-09T12:59:56,358 combination with a more fine grained `package-data` configuration. 2025-09-09T12:59:56,358 You can read more about "package data files" on setuptools documentation page: 2025-09-09T12:59:56,359 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-09T12:59:56,359 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-09T12:59:56,359 even if it does not contain any `.py` files. 2025-09-09T12:59:56,359 On the other hand, currently there is no concept of package data 2025-09-09T12:59:56,359 directory, all directories are treated like packages. 2025-09-09T12:59:56,359 ******************************************************************************** 2025-09-09T12:59:56,359 !! 2025-09-09T12:59:56,359 check.warn(importable) 2025-09-09T12:59:56,360 /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. 2025-09-09T12:59:56,360 !! 2025-09-09T12:59:56,360 ******************************************************************************** 2025-09-09T12:59:56,360 ############################ 2025-09-09T12:59:56,360 # Package would be ignored # 2025-09-09T12:59:56,360 ############################ 2025-09-09T12:59:56,360 Python recognizes 'RASPA2.share.raspa.structures.block' as an importable package[^1], 2025-09-09T12:59:56,360 but it is absent from setuptools' `packages` configuration. 2025-09-09T12:59:56,360 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-09T12:59:56,361 package, please make sure that 'RASPA2.share.raspa.structures.block' is explicitly added 2025-09-09T12:59:56,361 to the `packages` configuration field. 2025-09-09T12:59:56,361 Alternatively, you can also rely on setuptools' discovery methods 2025-09-09T12:59:56,361 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-09T12:59:56,361 instead of `find_packages(...)`/`find:`). 2025-09-09T12:59:56,361 You can read more about "package discovery" on setuptools documentation page: 2025-09-09T12:59:56,361 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-09T12:59:56,361 If you don't want 'RASPA2.share.raspa.structures.block' to be distributed and are 2025-09-09T12:59:56,362 already explicitly excluding 'RASPA2.share.raspa.structures.block' via 2025-09-09T12:59:56,362 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-09T12:59:56,362 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-09T12:59:56,362 combination with a more fine grained `package-data` configuration. 2025-09-09T12:59:56,362 You can read more about "package data files" on setuptools documentation page: 2025-09-09T12:59:56,362 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-09T12:59:56,362 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-09T12:59:56,362 even if it does not contain any `.py` files. 2025-09-09T12:59:56,363 On the other hand, currently there is no concept of package data 2025-09-09T12:59:56,363 directory, all directories are treated like packages. 2025-09-09T12:59:56,363 ******************************************************************************** 2025-09-09T12:59:56,363 !! 2025-09-09T12:59:56,363 check.warn(importable) 2025-09-09T12:59:56,363 /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. 2025-09-09T12:59:56,363 !! 2025-09-09T12:59:56,363 ******************************************************************************** 2025-09-09T12:59:56,363 ############################ 2025-09-09T12:59:56,363 # Package would be ignored # 2025-09-09T12:59:56,364 ############################ 2025-09-09T12:59:56,364 Python recognizes 'RASPA2.share.raspa.structures.cif' as an importable package[^1], 2025-09-09T12:59:56,364 but it is absent from setuptools' `packages` configuration. 2025-09-09T12:59:56,364 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-09T12:59:56,364 package, please make sure that 'RASPA2.share.raspa.structures.cif' is explicitly added 2025-09-09T12:59:56,364 to the `packages` configuration field. 2025-09-09T12:59:56,364 Alternatively, you can also rely on setuptools' discovery methods 2025-09-09T12:59:56,364 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-09T12:59:56,364 instead of `find_packages(...)`/`find:`). 2025-09-09T12:59:56,365 You can read more about "package discovery" on setuptools documentation page: 2025-09-09T12:59:56,365 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-09T12:59:56,365 If you don't want 'RASPA2.share.raspa.structures.cif' to be distributed and are 2025-09-09T12:59:56,365 already explicitly excluding 'RASPA2.share.raspa.structures.cif' via 2025-09-09T12:59:56,365 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-09T12:59:56,365 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-09T12:59:56,365 combination with a more fine grained `package-data` configuration. 2025-09-09T12:59:56,365 You can read more about "package data files" on setuptools documentation page: 2025-09-09T12:59:56,366 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-09T12:59:56,366 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-09T12:59:56,366 even if it does not contain any `.py` files. 2025-09-09T12:59:56,366 On the other hand, currently there is no concept of package data 2025-09-09T12:59:56,366 directory, all directories are treated like packages. 2025-09-09T12:59:56,366 ******************************************************************************** 2025-09-09T12:59:56,366 !! 2025-09-09T12:59:56,366 check.warn(importable) 2025-09-09T12:59:56,367 /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. 2025-09-09T12:59:56,367 !! 2025-09-09T12:59:56,367 ******************************************************************************** 2025-09-09T12:59:56,367 ############################ 2025-09-09T12:59:56,367 # Package would be ignored # 2025-09-09T12:59:56,367 ############################ 2025-09-09T12:59:56,367 Python recognizes 'RASPA2.share.raspa.structures.ions' as an importable package[^1], 2025-09-09T12:59:56,367 but it is absent from setuptools' `packages` configuration. 2025-09-09T12:59:56,367 This leads to an ambiguous overall configuration. If you want to distribute this 2025-09-09T12:59:56,367 package, please make sure that 'RASPA2.share.raspa.structures.ions' is explicitly added 2025-09-09T12:59:56,368 to the `packages` configuration field. 2025-09-09T12:59:56,368 Alternatively, you can also rely on setuptools' discovery methods 2025-09-09T12:59:56,368 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2025-09-09T12:59:56,368 instead of `find_packages(...)`/`find:`). 2025-09-09T12:59:56,368 You can read more about "package discovery" on setuptools documentation page: 2025-09-09T12:59:56,368 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2025-09-09T12:59:56,368 If you don't want 'RASPA2.share.raspa.structures.ions' to be distributed and are 2025-09-09T12:59:56,368 already explicitly excluding 'RASPA2.share.raspa.structures.ions' via 2025-09-09T12:59:56,369 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2025-09-09T12:59:56,369 you can try to use `exclude_package_data`, or `include-package-data=False` in 2025-09-09T12:59:56,369 combination with a more fine grained `package-data` configuration. 2025-09-09T12:59:56,369 You can read more about "package data files" on setuptools documentation page: 2025-09-09T12:59:56,369 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2025-09-09T12:59:56,369 [^1]: For Python, any directory (with suitable naming) can be imported, 2025-09-09T12:59:56,369 even if it does not contain any `.py` files. 2025-09-09T12:59:56,369 On the other hand, currently there is no concept of package data 2025-09-09T12:59:56,370 directory, all directories are treated like packages. 2025-09-09T12:59:56,370 ******************************************************************************** 2025-09-09T12:59:56,370 !! 2025-09-09T12:59:56,370 check.warn(importable) 2025-09-09T12:59:56,378 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2025-09-09T12:59:56,378 copying ./forcefield/AmirjalayerSchmid/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2025-09-09T12:59:56,379 copying ./forcefield/AmirjalayerSchmid/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2025-09-09T12:59:56,379 copying ./forcefield/AmirjalayerSchmid/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2025-09-09T12:59:56,380 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2025-09-09T12:59:56,380 copying ./forcefield/CastilloVlugtCalero2009/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2025-09-09T12:59:56,381 copying ./forcefield/CastilloVlugtCalero2009/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2025-09-09T12:59:56,381 copying ./forcefield/CastilloVlugtCalero2009/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2025-09-09T12:59:56,382 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellCatlow 2025-09-09T12:59:56,382 copying ./forcefield/CoreShellCatlow/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellCatlow 2025-09-09T12:59:56,382 copying ./forcefield/CoreShellCatlow/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellCatlow 2025-09-09T12:59:56,383 copying ./forcefield/CoreShellCatlow/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellCatlow 2025-09-09T12:59:56,384 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2025-09-09T12:59:56,384 copying ./forcefield/CoreShellSastreGale2005/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2025-09-09T12:59:56,384 copying ./forcefield/CoreShellSastreGale2005/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2025-09-09T12:59:56,385 copying ./forcefield/CoreShellSastreGale2005/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2025-09-09T12:59:56,385 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2025-09-09T12:59:56,386 copying ./forcefield/CoreShellSchroderSauer/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2025-09-09T12:59:56,386 copying ./forcefield/CoreShellSchroderSauer/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2025-09-09T12:59:56,387 copying ./forcefield/CoreShellSchroderSauer/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2025-09-09T12:59:56,387 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CrystalGenerator 2025-09-09T12:59:56,388 copying ./forcefield/CrystalGenerator/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CrystalGenerator 2025-09-09T12:59:56,388 copying ./forcefield/CrystalGenerator/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CrystalGenerator 2025-09-09T12:59:56,389 copying ./forcefield/CrystalGenerator/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CrystalGenerator 2025-09-09T12:59:56,389 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2025-09-09T12:59:56,389 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2025-09-09T12:59:56,390 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2025-09-09T12:59:56,390 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-1/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2025-09-09T12:59:56,391 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2025-09-09T12:59:56,391 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2025-09-09T12:59:56,392 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2025-09-09T12:59:56,392 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-10/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2025-09-09T12:59:56,393 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2025-09-09T12:59:56,393 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2025-09-09T12:59:56,394 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2025-09-09T12:59:56,394 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-16/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2025-09-09T12:59:56,395 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2025-09-09T12:59:56,395 copying ./forcefield/Dubbeldam2012MIL-100/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2025-09-09T12:59:56,395 copying ./forcefield/Dubbeldam2012MIL-100/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2025-09-09T12:59:56,396 copying ./forcefield/Dubbeldam2012MIL-100/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2025-09-09T12:59:56,396 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2025-09-09T12:59:56,397 copying ./forcefield/Dubbeldam2012MIL-101/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2025-09-09T12:59:56,397 copying ./forcefield/Dubbeldam2012MIL-101/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2025-09-09T12:59:56,398 copying ./forcefield/Dubbeldam2012MIL-101/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2025-09-09T12:59:56,398 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2025-09-09T12:59:56,398 copying ./forcefield/Dzubak2012-IRMOF-1/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2025-09-09T12:59:56,399 copying ./forcefield/Dzubak2012-IRMOF-1/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2025-09-09T12:59:56,400 copying ./forcefield/Dzubak2012-IRMOF-1/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2025-09-09T12:59:56,400 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2025-09-09T12:59:56,400 copying ./forcefield/Dzubak2012-MgMOF-74/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2025-09-09T12:59:56,401 copying ./forcefield/Dzubak2012-MgMOF-74/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2025-09-09T12:59:56,401 copying ./forcefield/Dzubak2012-MgMOF-74/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2025-09-09T12:59:56,402 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2025-09-09T12:59:56,402 copying ./forcefield/Dzubak2012-MgMOF-74-extended/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2025-09-09T12:59:56,403 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 2025-09-09T12:59:56,403 copying ./forcefield/Dzubak2012-MgMOF-74-extended/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2025-09-09T12:59:56,404 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2025-09-09T12:59:56,404 copying ./forcefield/Dzubak2012-ZnMOF-74/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2025-09-09T12:59:56,404 copying ./forcefield/Dzubak2012-ZnMOF-74/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2025-09-09T12:59:56,405 copying ./forcefield/Dzubak2012-ZnMOF-74/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2025-09-09T12:59:56,405 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GarciaPerez2006 2025-09-09T12:59:56,406 copying ./forcefield/GarciaPerez2006/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GarciaPerez2006 2025-09-09T12:59:56,406 copying ./forcefield/GarciaPerez2006/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GarciaPerez2006 2025-09-09T12:59:56,407 copying ./forcefield/GarciaPerez2006/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GarciaPerez2006 2025-09-09T12:59:56,407 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GenericMOFs 2025-09-09T12:59:56,407 copying ./forcefield/GenericMOFs/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GenericMOFs 2025-09-09T12:59:56,408 copying ./forcefield/GenericMOFs/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GenericMOFs 2025-09-09T12:59:56,409 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GenericZeolites 2025-09-09T12:59:56,409 copying ./forcefield/GenericZeolites/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GenericZeolites 2025-09-09T12:59:56,409 copying ./forcefield/GenericZeolites/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GenericZeolites 2025-09-09T12:59:56,410 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2025-09-09T12:59:56,410 copying ./forcefield/MgMOF-74-Yazaydin/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2025-09-09T12:59:56,411 copying ./forcefield/MgMOF-74-Yazaydin/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2025-09-09T12:59:56,411 copying ./forcefield/MgMOF-74-Yazaydin/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2025-09-09T12:59:56,412 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Nicholas 2025-09-09T12:59:56,412 copying ./forcefield/Nicholas/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Nicholas 2025-09-09T12:59:56,412 copying ./forcefield/Nicholas/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Nicholas 2025-09-09T12:59:56,413 copying ./forcefield/Nicholas/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Nicholas 2025-09-09T12:59:56,413 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Pascual2004 2025-09-09T12:59:56,414 copying ./forcefield/Pascual2004/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Pascual2004 2025-09-09T12:59:56,414 copying ./forcefield/Pascual2004/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Pascual2004 2025-09-09T12:59:56,415 copying ./forcefield/Pascual2004/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Pascual2004 2025-09-09T12:59:56,415 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2025-09-09T12:59:56,415 copying ./forcefield/RigidIonKramer1991/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2025-09-09T12:59:56,416 copying ./forcefield/RigidIonKramer1991/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2025-09-09T12:59:56,416 copying ./forcefield/RigidIonKramer1991/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2025-09-09T12:59:56,417 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/TraPPE 2025-09-09T12:59:56,417 copying ./forcefield/TraPPE/force_field.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/TraPPE 2025-09-09T12:59:56,418 copying ./forcefield/TraPPE/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/TraPPE 2025-09-09T12:59:56,418 copying ./forcefield/TraPPE/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/TraPPE 2025-09-09T12:59:56,419 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/AmirjalayerSchmid 2025-09-09T12:59:56,419 copying ./framework/AmirjalayerSchmid/framework.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/AmirjalayerSchmid 2025-09-09T12:59:56,419 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/CoreShellCatlow 2025-09-09T12:59:56,420 copying ./framework/CoreShellCatlow/framework.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/CoreShellCatlow 2025-09-09T12:59:56,420 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/CoreShellSastreGale2005 2025-09-09T12:59:56,420 copying ./framework/CoreShellSastreGale2005/framework.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/CoreShellSastreGale2005 2025-09-09T12:59:56,421 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/CoreShellSchroderSauer 2025-09-09T12:59:56,421 copying ./framework/CoreShellSchroderSauer/framework.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/CoreShellSchroderSauer 2025-09-09T12:59:56,422 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Demontis 2025-09-09T12:59:56,422 copying ./framework/Demontis/framework.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Demontis 2025-09-09T12:59:56,422 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/DemontisModified 2025-09-09T12:59:56,423 copying ./framework/DemontisModified/framework.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/DemontisModified 2025-09-09T12:59:56,423 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-1 2025-09-09T12:59:56,423 copying ./framework/Dubbeldam2007FlexibleIRMOF-1/framework.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-1 2025-09-09T12:59:56,424 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-10 2025-09-09T12:59:56,424 copying ./framework/Dubbeldam2007FlexibleIRMOF-10/framework.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-10 2025-09-09T12:59:56,425 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-16 2025-09-09T12:59:56,425 copying ./framework/Dubbeldam2007FlexibleIRMOF-16/framework.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-16 2025-09-09T12:59:56,425 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Nicholas 2025-09-09T12:59:56,426 copying ./framework/Nicholas/framework.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Nicholas 2025-09-09T12:59:56,426 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/NicholasModified 2025-09-09T12:59:56,426 copying ./framework/NicholasModified/framework.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/NicholasModified 2025-09-09T12:59:56,427 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2025-09-09T12:59:56,427 copying ./molecules/CastilloVlugtCalero2009/benzene.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2025-09-09T12:59:56,428 copying ./molecules/CastilloVlugtCalero2009/m-xylene.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2025-09-09T12:59:56,428 copying ./molecules/CastilloVlugtCalero2009/o-xylene.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2025-09-09T12:59:56,429 copying ./molecules/CastilloVlugtCalero2009/p-xylene.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2025-09-09T12:59:56,429 copying ./molecules/CastilloVlugtCalero2009/toluene.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2025-09-09T12:59:56,430 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/EPM2 2025-09-09T12:59:56,430 copying ./molecules/EPM2/CO2.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/EPM2 2025-09-09T12:59:56,430 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/Generic 2025-09-09T12:59:56,431 copying ./molecules/Generic/CO2.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/Generic 2025-09-09T12:59:56,431 copying ./molecules/Generic/N2.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/Generic 2025-09-09T12:59:56,432 copying ./molecules/Generic/argon.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/Generic 2025-09-09T12:59:56,432 copying ./molecules/Generic/helium.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/Generic 2025-09-09T12:59:56,433 copying ./molecules/Generic/methane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/Generic 2025-09-09T12:59:56,433 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,434 copying ./molecules/TraPPE/1-butene.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,434 copying ./molecules/TraPPE/2-cis-butene.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,435 copying ./molecules/TraPPE/2-ethyl-2-hexenal-cis.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,435 copying ./molecules/TraPPE/2-ethyl-2-hexenal-trans.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,436 copying ./molecules/TraPPE/2-methylbutane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,436 copying ./molecules/TraPPE/2-methylheptane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,437 copying ./molecules/TraPPE/2-methylhexane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,437 copying ./molecules/TraPPE/2-methylpentane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,438 copying ./molecules/TraPPE/2-trans-butene.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,438 copying ./molecules/TraPPE/22-dimethylbutane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,439 copying ./molecules/TraPPE/22-dimethylhexane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,439 copying ./molecules/TraPPE/22-dimethylpentane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,440 copying ./molecules/TraPPE/223-trimethylbutane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,440 copying ./molecules/TraPPE/224-trimethylpentane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,441 copying ./molecules/TraPPE/22dmC8.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,441 copying ./molecules/TraPPE/23-dimethylbutane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,442 copying ./molecules/TraPPE/23-dimethylhexane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,442 copying ./molecules/TraPPE/23-dimethylpentane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,443 copying ./molecules/TraPPE/24-dimethylhexane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,443 copying ./molecules/TraPPE/24-dimethylpentane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,444 copying ./molecules/TraPPE/24dmC8.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,444 copying ./molecules/TraPPE/25-dimethylhexane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,445 copying ./molecules/TraPPE/27dmC8.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,445 copying ./molecules/TraPPE/2mC9.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,446 copying ./molecules/TraPPE/3-methylheptane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,446 copying ./molecules/TraPPE/3-methylhexane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,447 copying ./molecules/TraPPE/3-methylpentane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,448 copying ./molecules/TraPPE/33-dimethylhexane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,448 copying ./molecules/TraPPE/33-dimethylpentane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,449 copying ./molecules/TraPPE/3mC9.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,449 copying ./molecules/TraPPE/4-methylheptane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,450 copying ./molecules/TraPPE/44methylethyloctane_L.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,450 copying ./molecules/TraPPE/44methylethyloctane_R.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,451 copying ./molecules/TraPPE/4mC9.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,451 copying ./molecules/TraPPE/AsH3.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,452 copying ./molecules/TraPPE/BDC.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,452 copying ./molecules/TraPPE/C1.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,453 copying ./molecules/TraPPE/C10.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,453 copying ./molecules/TraPPE/C11.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,454 copying ./molecules/TraPPE/C12.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,454 copying ./molecules/TraPPE/C13.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,455 copying ./molecules/TraPPE/C14.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,455 copying ./molecules/TraPPE/C15.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,456 copying ./molecules/TraPPE/C16.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,456 copying ./molecules/TraPPE/C17.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,457 copying ./molecules/TraPPE/C18.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,457 copying ./molecules/TraPPE/C19.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,458 copying ./molecules/TraPPE/C2.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,458 copying ./molecules/TraPPE/C20.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,459 copying ./molecules/TraPPE/C21.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,459 copying ./molecules/TraPPE/C22.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,460 copying ./molecules/TraPPE/C23.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,461 copying ./molecules/TraPPE/C24.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,461 copying ./molecules/TraPPE/C25.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,462 copying ./molecules/TraPPE/C26.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,462 copying ./molecules/TraPPE/C27.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,463 copying ./molecules/TraPPE/C28.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,463 copying ./molecules/TraPPE/C2H2.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,464 copying ./molecules/TraPPE/C3.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,464 copying ./molecules/TraPPE/C4.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,465 copying ./molecules/TraPPE/C5.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,465 copying ./molecules/TraPPE/C6.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,466 copying ./molecules/TraPPE/C7.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,466 copying ./molecules/TraPPE/C8.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,467 copying ./molecules/TraPPE/C9.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,467 copying ./molecules/TraPPE/CO.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,468 copying ./molecules/TraPPE/CO2.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,468 copying ./molecules/TraPPE/Cl.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,469 copying ./molecules/TraPPE/H2.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,469 copying ./molecules/TraPPE/H2S.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,470 copying ./molecules/TraPPE/IonN.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,470 copying ./molecules/TraPPE/IonP.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,471 copying ./molecules/TraPPE/LJ1.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,471 copying ./molecules/TraPPE/LJ2.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,472 copying ./molecules/TraPPE/N2.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,472 copying ./molecules/TraPPE/Na.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,473 copying ./molecules/TraPPE/NaCl.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,473 copying ./molecules/TraPPE/O2.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,474 copying ./molecules/TraPPE/PH3.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,474 copying ./molecules/TraPPE/argon.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,475 copying ./molecules/TraPPE/benzene.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,475 copying ./molecules/TraPPE/butane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,476 copying ./molecules/TraPPE/calcium.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,476 copying ./molecules/TraPPE/chloride.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,477 copying ./molecules/TraPPE/chromene_R_flexible.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,477 copying ./molecules/TraPPE/decane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,478 copying ./molecules/TraPPE/dimethylpropane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,478 copying ./molecules/TraPPE/dodecane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,479 copying ./molecules/TraPPE/ethane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,479 copying ./molecules/TraPPE/ethanol.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,480 copying ./molecules/TraPPE/ethene.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,480 copying ./molecules/TraPPE/formaldehyde.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,481 copying ./molecules/TraPPE/helium.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,481 copying ./molecules/TraPPE/heptane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,482 copying ./molecules/TraPPE/hexadecane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,482 copying ./molecules/TraPPE/hexane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,483 copying ./molecules/TraPPE/hydrogen.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,483 copying ./molecules/TraPPE/isobutane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,484 copying ./molecules/TraPPE/isooctane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,485 copying ./molecules/TraPPE/kalium.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,485 copying ./molecules/TraPPE/krypton.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,486 copying ./molecules/TraPPE/methane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,486 copying ./molecules/TraPPE/methanol.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,487 copying ./molecules/TraPPE/neopentane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,487 copying ./molecules/TraPPE/nonane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,488 copying ./molecules/TraPPE/none.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,488 copying ./molecules/TraPPE/octane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,489 copying ./molecules/TraPPE/pentane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,489 copying ./molecules/TraPPE/propane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,490 copying ./molecules/TraPPE/propene.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,490 copying ./molecules/TraPPE/sodium.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,491 copying ./molecules/TraPPE/undecane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,491 copying ./molecules/TraPPE/water.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,492 copying ./molecules/TraPPE/xenon.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T12:59:56,492 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-EH 2025-09-09T12:59:56,492 copying ./molecules/TraPPE-EH/methane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-EH 2025-09-09T12:59:56,493 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-09T12:59:56,493 copying ./molecules/TraPPE-UA/2-methylbutane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-09T12:59:56,494 copying ./molecules/TraPPE-UA/2-methylpentane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-09T12:59:56,494 copying ./molecules/TraPPE-UA/CO2.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-09T12:59:56,495 copying ./molecules/TraPPE-UA/butane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-09T12:59:56,495 copying ./molecules/TraPPE-UA/dimethylpropane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-09T12:59:56,496 copying ./molecules/TraPPE-UA/ethane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-09T12:59:56,496 copying ./molecules/TraPPE-UA/heptane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-09T12:59:56,497 copying ./molecules/TraPPE-UA/isobutane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-09T12:59:56,498 copying ./molecules/TraPPE-UA/methane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-09T12:59:56,498 copying ./molecules/TraPPE-UA/pentane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-09T12:59:56,499 copying ./molecules/TraPPE-UA/propane.def -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-09T12:59:56,499 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-09T12:59:56,499 copying ./structures/block/ATS.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-09T12:59:56,500 copying ./structures/block/BOG_SI.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-09T12:59:56,500 copying ./structures/block/CHA_SI.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-09T12:59:56,501 copying ./structures/block/DDR.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-09T12:59:56,501 copying ./structures/block/DDR_ortho.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-09T12:59:56,502 copying ./structures/block/ERI_SI.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-09T12:59:56,502 copying ./structures/block/FAU.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-09T12:59:56,503 copying ./structures/block/FER.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-09T12:59:56,503 copying ./structures/block/GME.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-09T12:59:56,504 copying ./structures/block/ITQ-12.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-09T12:59:56,504 copying ./structures/block/ITQ-29-2x2x2.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-09T12:59:56,505 copying ./structures/block/ITQ-29.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-09T12:59:56,505 copying ./structures/block/ITQ-3.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-09T12:59:56,506 copying ./structures/block/LTA_SI.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-09T12:59:56,506 copying ./structures/block/LTL_SI.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-09T12:59:56,507 copying ./structures/block/MFI_Olson.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-09T12:59:56,507 copying ./structures/block/MFI_SI.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-09T12:59:56,508 copying ./structures/block/MFI_mono.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-09T12:59:56,509 copying ./structures/block/MOR_SI.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-09T12:59:56,509 copying ./structures/block/MTW.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-09T12:59:56,509 copying ./structures/block/TON.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-09T12:59:56,510 copying ./structures/block/test.block -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block 2025-09-09T12:59:56,510 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,511 copying ./structures/cif/AEL.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,511 copying ./structures/cif/AFI_SI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,512 copying ./structures/cif/AFX_SI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,512 copying ./structures/cif/ATS.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,513 copying ./structures/cif/AlPO-17.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,513 copying ./structures/cif/AlPO-5.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,514 copying ./structures/cif/BEA.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,514 copying ./structures/cif/BOG_SI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,515 copying ./structures/cif/CAN-12.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,515 copying ./structures/cif/CFI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,516 copying ./structures/cif/CHA_SI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,516 copying ./structures/cif/CHA_SI_mono.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,517 copying ./structures/cif/COF-1.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,517 copying ./structures/cif/COF-102.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,518 copying ./structures/cif/COF-103.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,518 copying ./structures/cif/COF-105.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,519 copying ./structures/cif/COF-108.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,519 copying ./structures/cif/COF-202.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,520 copying ./structures/cif/COF-300.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,520 copying ./structures/cif/COF-5.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,521 copying ./structures/cif/CON.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,522 copying ./structures/cif/Cd3BTB2.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,522 copying ./structures/cif/Co(2,6-NDP).cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,523 copying ./structures/cif/Co-DOBDC.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,523 copying ./structures/cif/CoBDP-Dubbeldam.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,524 copying ./structures/cif/CoBDP.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,524 copying ./structures/cif/Cu-BTC.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,525 copying ./structures/cif/DDR.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,525 copying ./structures/cif/DON.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,526 copying ./structures/cif/EMT.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,526 copying ./structures/cif/ERI_SI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,527 copying ./structures/cif/FAU_SI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,527 copying ./structures/cif/FER.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,528 copying ./structures/cif/GME.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,528 copying ./structures/cif/IRMOF-1-Ar.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,529 copying ./structures/cif/IRMOF-1.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,529 copying ./structures/cif/IRMOF-10.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,530 copying ./structures/cif/IRMOF-11.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,531 copying ./structures/cif/IRMOF-12.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,532 copying ./structures/cif/IRMOF-13.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,532 copying ./structures/cif/IRMOF-14.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,533 copying ./structures/cif/IRMOF-15.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,533 copying ./structures/cif/IRMOF-16.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,534 copying ./structures/cif/IRMOF-2.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,535 copying ./structures/cif/IRMOF-3.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,535 copying ./structures/cif/IRMOF-4.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,536 copying ./structures/cif/IRMOF-5.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,537 copying ./structures/cif/IRMOF-6.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,538 copying ./structures/cif/IRMOF-7.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,538 copying ./structures/cif/IRMOF-8.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,539 copying ./structures/cif/IRMOF-9.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,539 copying ./structures/cif/ISV.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,540 copying ./structures/cif/ITQ-1.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,540 copying ./structures/cif/ITQ-12.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,541 copying ./structures/cif/ITQ-29-2x2x2.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,542 copying ./structures/cif/ITQ-29.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,542 copying ./structures/cif/ITQ-3.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,543 copying ./structures/cif/ITQ-7.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,543 copying ./structures/cif/KFI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,544 copying ./structures/cif/LAU.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,544 copying ./structures/cif/LEV.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,545 copying ./structures/cif/LTA4A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,545 copying ./structures/cif/LTA5A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,546 copying ./structures/cif/LTA_SI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,546 copying ./structures/cif/LTL_SI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,547 copying ./structures/cif/MAF-X8.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,547 copying ./structures/cif/MAZ.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,548 copying ./structures/cif/MEI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,549 copying ./structures/cif/MEL.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,549 copying ./structures/cif/MFI_SI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,550 copying ./structures/cif/MFI_SI_Olson.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,550 copying ./structures/cif/MFI_SI_mono.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,551 copying ./structures/cif/MFI_para.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,551 copying ./structures/cif/MFS.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,552 copying ./structures/cif/MIL-100-primitive.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,553 copying ./structures/cif/MIL-100.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,556 copying ./structures/cif/MIL-101-primitive.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,558 copying ./structures/cif/MIL-101.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,562 copying ./structures/cif/MIL-140A-DFT.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,562 copying ./structures/cif/MIL-140B-DFT.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,563 copying ./structures/cif/MIL-140C-DFT.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,563 copying ./structures/cif/MIL-140D-DFT.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,564 copying ./structures/cif/MIL-47.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,564 copying ./structures/cif/MIL-53(Cr)ht.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,565 copying ./structures/cif/MIL-53(Cr)lt.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,565 copying ./structures/cif/MIL-88A-dry.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,566 copying ./structures/cif/MIL-88A-open.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,566 copying ./structures/cif/MIL-88B-dry.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,567 copying ./structures/cif/MIL-88B-open.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,567 copying ./structures/cif/MIL-88C-dry.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,568 copying ./structures/cif/MIL-88C-open.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,568 copying ./structures/cif/MIL-88D-dry.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,569 copying ./structures/cif/MIL-88D-open.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,569 copying ./structures/cif/MOF-1-Dybtsev-dmol.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,570 copying ./structures/cif/MOF-177.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,571 copying ./structures/cif/MOF-177_ortho.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,571 copying ./structures/cif/MOF-200.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,572 copying ./structures/cif/MOF-205.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,573 copying ./structures/cif/MOF-210-primitive.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,574 copying ./structures/cif/MOF-210.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,574 copying ./structures/cif/MOF-69c.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,575 copying ./structures/cif/MOF-70.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,575 copying ./structures/cif/MOF-72.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,576 copying ./structures/cif/MOR_SI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,576 copying ./structures/cif/MTW_SI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,577 copying ./structures/cif/Mg-DOBDC.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,578 copying ./structures/cif/MgMOF-74-VASP.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,578 copying ./structures/cif/MgMOF-74-extended-VASP.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,579 copying ./structures/cif/MgMOF-74.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,579 copying ./structures/cif/NU-100SP-primitive.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,580 copying ./structures/cif/NU-100SP.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,581 copying ./structures/cif/NU-108-Cu-primitive.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,582 copying ./structures/cif/NU-108-Cu.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,582 copying ./structures/cif/NU-108-Zn.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,583 copying ./structures/cif/NaX.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,584 copying ./structures/cif/Ni-DOBDC.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,584 copying ./structures/cif/OFF.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,585 copying ./structures/cif/PAU.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,585 copying ./structures/cif/PCN-60.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,586 copying ./structures/cif/PCN-61.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,586 copying ./structures/cif/PCN-68-primitive.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,587 copying ./structures/cif/PCN-68.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,588 copying ./structures/cif/RHO.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,588 copying ./structures/cif/SAPO-47.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,589 copying ./structures/cif/SAPO-56.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,589 copying ./structures/cif/SFF.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,590 copying ./structures/cif/SOD.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,590 copying ./structures/cif/STF.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,591 copying ./structures/cif/SWNT-1-14.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,591 copying ./structures/cif/SWNT-1-23.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,592 copying ./structures/cif/SWNT-10-11.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,593 copying ./structures/cif/SWNT-10-13.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,594 copying ./structures/cif/SWNT-11-18.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,595 copying ./structures/cif/SWNT-3-11.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,596 copying ./structures/cif/SWNT-3-20.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,597 copying ./structures/cif/SWNT-3-9.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,598 copying ./structures/cif/SWNT-4-14.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,598 copying ./structures/cif/TON.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,599 copying ./structures/cif/UIO-66.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,599 copying ./structures/cif/UMCM-1.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,600 copying ./structures/cif/VFI.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,601 copying ./structures/cif/ZIF-1.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,601 copying ./structures/cif/ZIF-10.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,602 copying ./structures/cif/ZIF-11.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,602 copying ./structures/cif/ZIF-12.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,603 copying ./structures/cif/ZIF-2.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,604 copying ./structures/cif/ZIF-20.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,605 copying ./structures/cif/ZIF-3.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,606 copying ./structures/cif/ZIF-4.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,607 copying ./structures/cif/ZIF-5.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,607 copying ./structures/cif/ZIF-6.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,608 copying ./structures/cif/ZIF-68.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,608 copying ./structures/cif/ZIF-69-crystal.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,609 copying ./structures/cif/ZIF-69.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,610 copying ./structures/cif/ZIF-7.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,610 copying ./structures/cif/ZIF-71.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,611 copying ./structures/cif/ZIF-77.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,611 copying ./structures/cif/ZIF-8.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,612 copying ./structures/cif/ZIF-80.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,612 copying ./structures/cif/ZIF-9.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,613 copying ./structures/cif/ZIF-90.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,613 copying ./structures/cif/ZIF-93.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,614 copying ./structures/cif/ZIF-96.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,614 copying ./structures/cif/ZIF-97.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,615 copying ./structures/cif/Zn-DOBDC.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,615 copying ./structures/cif/ZnBDC.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,616 copying ./structures/cif/ZnBDCdabco.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,616 copying ./structures/cif/ZnHBDC.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,617 copying ./structures/cif/ZnMOF-74-VASP.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,618 copying ./structures/cif/ZnMOF-74.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,618 copying ./structures/cif/Zr-TPDC.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,619 copying ./structures/cif/alpha-quartz.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,619 copying ./structures/cif/coesite.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,620 copying ./structures/cif/graphite-sheet-10.25A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,621 copying ./structures/cif/graphite-sheet-10.65A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,622 copying ./structures/cif/graphite-sheet-11.0A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,623 copying ./structures/cif/graphite-sheet-11.36A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,623 copying ./structures/cif/graphite-sheet-12.0A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,624 copying ./structures/cif/graphite-sheet-12.78A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,625 copying ./structures/cif/graphite-sheet-13.25A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,626 copying ./structures/cif/graphite-sheet-13.75A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,627 copying ./structures/cif/graphite-sheet-14.2A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,628 copying ./structures/cif/graphite-sheet-15.0A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,629 copying ./structures/cif/graphite-sheet-15.62A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,629 copying ./structures/cif/graphite-sheet-17.04A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,630 copying ./structures/cif/graphite-sheet-18.46A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,631 copying ./structures/cif/graphite-sheet-19.88A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,633 copying ./structures/cif/graphite-sheet-8.52A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,633 copying ./structures/cif/graphite-sheet-9.0A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,634 copying ./structures/cif/graphite-sheet-9.5A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,635 copying ./structures/cif/graphite-sheet-9.94A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,636 copying ./structures/cif/graphite-square-channel-11.36A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,637 copying ./structures/cif/graphite-square-channel-12.78A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,639 copying ./structures/cif/graphite-square-channel-14.2A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,640 copying ./structures/cif/graphite-square-channel-15.62A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,642 copying ./structures/cif/graphite-square-channel-17.04A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,643 copying ./structures/cif/graphite-square-channel-18.46A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,645 copying ./structures/cif/graphite-square-channel-19.88A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,647 copying ./structures/cif/graphite-square-channel-8.52A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,648 copying ./structures/cif/graphite-square-channel-9.94A.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,649 copying ./structures/cif/graphite.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,649 copying ./structures/cif/graphite_ortho.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,650 copying ./structures/cif/quartz.cif -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif 2025-09-09T12:59:56,650 creating build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/ions 2025-09-09T12:59:56,651 copying ./structures/ions/IRMOF-1-Ar.ions -> build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/ions 2025-09-09T12:59:56,652 running build_ext 2025-09-09T12:59:56,991 building 'RASPA2.simulations.lib.libraspa2' extension 2025-09-09T12:59:56,999 creating build/temp.linux-armv7l-cpython-313/src 2025-09-09T12:59:57,003 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 2025-09-09T13:00:06,110 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 2025-09-09T13:00:06,299 src/charge_equilibration.c: In function ‘SolveMatrix’: 2025-09-09T13:00:06,299 src/charge_equilibration.c:641:8: warning: variable ‘aii’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:06,299 641 | REAL aii,alpha,f,ak; 2025-09-09T13:00:06,299 | ^~~ 2025-09-09T13:00:07,543 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 2025-09-09T13:00:07,826 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 2025-09-09T13:00:08,205 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 2025-09-09T13:00:08,345 src/cubic_spline_1d.c: In function ‘Trapezoidal’: 2025-09-09T13:00:08,345 src/cubic_spline_1d.c:164:18: warning: variable ‘tmp3’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:08,345 164 | REAL tmp1,tmp2,tmp3; 2025-09-09T13:00:08,345 | ^~~~ 2025-09-09T13:00:08,346 src/cubic_spline_1d.c:164:13: warning: variable ‘tmp2’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:08,346 164 | REAL tmp1,tmp2,tmp3; 2025-09-09T13:00:08,346 | ^~~~ 2025-09-09T13:00:08,349 src/cubic_spline_1d.c: In function ‘TrapezoidalWeight’: 2025-09-09T13:00:08,349 src/cubic_spline_1d.c:243:18: warning: variable ‘tmp3’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:08,349 243 | REAL tmp1,tmp2,tmp3; 2025-09-09T13:00:08,349 | ^~~~ 2025-09-09T13:00:08,350 src/cubic_spline_1d.c:243:13: warning: variable ‘tmp2’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:08,350 243 | REAL tmp1,tmp2,tmp3; 2025-09-09T13:00:08,350 | ^~~~ 2025-09-09T13:00:08,350 src/cubic_spline_1d.c:242:15: warning: variable ‘valueb’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:08,350 242 | REAL valuea,valueb; 2025-09-09T13:00:08,350 | ^~~~~~ 2025-09-09T13:00:08,351 src/cubic_spline_1d.c:242:8: warning: variable ‘valuea’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:08,351 242 | REAL valuea,valueb; 2025-09-09T13:00:08,351 | ^~~~~~ 2025-09-09T13:00:08,375 src/cubic_spline_1d.c: In function ‘CreateCubicFittingSpline’: 2025-09-09T13:00:08,376 src/cubic_spline_1d.c:898:7: warning: variable ‘error’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:08,377 898 | int error=7,i; 2025-09-09T13:00:08,377 | ^~~~~ 2025-09-09T13:00:10,376 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 2025-09-09T13:00:11,637 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 2025-09-09T13:00:11,834 src/ewald.c: In function ‘EwaldEnergyIon’: 2025-09-09T13:00:11,835 src/ewald.c:715:11: warning: variable ‘kvecs’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:11,835 715 | VECTOR *kvecs; 2025-09-09T13:00:11,835 | ^~~~~ 2025-09-09T13:00:11,852 src/ewald.c: In function ‘PrecomputeFixedEwaldContributions’: 2025-09-09T13:00:11,852 src/ewald.c:844:29: warning: variable ‘nr_of_coulombic_sites_framework’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:11,853 844 | int nr_of_coulombic_sites,nr_of_coulombic_sites_framework,nr_of_coulombic_sites_adsorbate,nr_of_coulombic_sites_cation; 2025-09-09T13:00:11,853 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:00:11,853 src/ewald.c:839:13: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:11,853 839 | REAL temp,alpha,charge; 2025-09-09T13:00:11,853 | ^~~~~ 2025-09-09T13:00:11,870 src/ewald.c: In function ‘PrecomputeTotalEwaldContributions’: 2025-09-09T13:00:11,871 src/ewald.c:1384:13: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:11,871 1384 | REAL temp,alpha,ksqr,recip_cutoff,charge; 2025-09-09T13:00:11,871 | ^~~~~ 2025-09-09T13:00:11,904 src/ewald.c: In function ‘EwaldFourierEnergy’: 2025-09-09T13:00:11,906 src/ewald.c:1878:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:11,906 1878 | REAL Bt0,Bt1,Bt2,cosA,cosB,cosAB,scaling,scalingA,scalingB; 2025-09-09T13:00:11,906 | ^~~ 2025-09-09T13:00:11,908 src/ewald.c:1856:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:11,908 1856 | int nvec,type_mol,type,typeA,typeB; 2025-09-09T13:00:11,908 | ^~~~~ 2025-09-09T13:00:11,910 src/ewald.c:1856:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:11,910 1856 | int nvec,type_mol,type,typeA,typeB; 2025-09-09T13:00:11,910 | ^~~~~ 2025-09-09T13:00:11,973 src/ewald.c: In function ‘EwaldFourierForce’: 2025-09-09T13:00:11,976 src/ewald.c:2911:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:11,976 2911 | int nvec,type_mol,type,typeA,typeB; 2025-09-09T13:00:11,976 | ^~~~~ 2025-09-09T13:00:11,979 src/ewald.c:2911:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:11,980 2911 | int nvec,type_mol,type,typeA,typeB; 2025-09-09T13:00:11,980 | ^~~~~ 2025-09-09T13:00:12,059 src/ewald.c: In function ‘EwaldFourierBornTerm’: 2025-09-09T13:00:12,065 src/ewald.c:4859:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,065 4859 | int nvec,type_mol,type,typeA,typeB; 2025-09-09T13:00:12,065 | ^~~~~ 2025-09-09T13:00:12,070 src/ewald.c:4859:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,070 4859 | int nvec,type_mol,type,typeA,typeB; 2025-09-09T13:00:12,071 | ^~~~~ 2025-09-09T13:00:12,107 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbate’: 2025-09-09T13:00:12,116 src/ewald.c:6960:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,116 6960 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2025-09-09T13:00:12,116 | ^~~ 2025-09-09T13:00:12,154 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbateRXMC’: 2025-09-09T13:00:12,163 src/ewald.c:7685:7: warning: variable ‘considered_charged’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,163 7685 | int considered_charged; 2025-09-09T13:00:12,163 | ^~~~~~~~~~~~~~~~~~ 2025-09-09T13:00:12,172 src/ewald.c:7669:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,172 7669 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2025-09-09T13:00:12,172 | ^~~ 2025-09-09T13:00:12,207 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbateRXMC2’: 2025-09-09T13:00:12,217 src/ewald.c:8557:7: warning: variable ‘RXMCMoleculeNumbers’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,217 8557 | int RXMCMoleculeNumbers[256]; 2025-09-09T13:00:12,217 | ^~~~~~~~~~~~~~~~~~~ 2025-09-09T13:00:12,227 src/ewald.c:8538:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,228 8538 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2025-09-09T13:00:12,228 | ^~~ 2025-09-09T13:00:12,248 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbateTupleLambda’: 2025-09-09T13:00:12,260 src/ewald.c:9347:11: warning: variable ‘kvecs’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,260 9347 | VECTOR *kvecs; 2025-09-09T13:00:12,260 | ^~~~~ 2025-09-09T13:00:12,271 src/ewald.c:9344:8: warning: variable ‘energy_charge_bonddipole_framework_adsorbates’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,271 9344 | REAL energy_charge_bonddipole_framework_adsorbates; 2025-09-09T13:00:12,271 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:00:12,283 src/ewald.c:9343:44: warning: variable ‘energy_charge_bonddipole_adsorbates_cations’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,283 9343 | REAL energy_charge_bonddipole_adsorbates,energy_charge_bonddipole_adsorbates_cations; 2025-09-09T13:00:12,283 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:00:12,294 src/ewald.c:9343:8: warning: variable ‘energy_charge_bonddipole_adsorbates’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,294 9343 | REAL energy_charge_bonddipole_adsorbates,energy_charge_bonddipole_adsorbates_cations; 2025-09-09T13:00:12,294 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:00:12,305 src/ewald.c:9342:8: warning: variable ‘energy_self_bd_old’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,305 9342 | REAL energy_self_bd_old,energy_self_bd_new; 2025-09-09T13:00:12,305 | ^~~~~~~~~~~~~~~~~~ 2025-09-09T13:00:12,317 src/ewald.c:9339:8: warning: variable ‘net_charge_new’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,317 9339 | REAL net_charge_new,net_charge_old; 2025-09-09T13:00:12,317 | ^~~~~~~~~~~~~~ 2025-09-09T13:00:12,329 src/ewald.c:9336:74: warning: variable ‘energy_bonddipole_framework_adsorbates’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,329 9336 | REAL energy_bonddipole_adsorbates,energy_bonddipole_adsorbates_cations,energy_bonddipole_framework_adsorbates; 2025-09-09T13:00:12,329 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:00:12,341 src/ewald.c:9336:37: warning: variable ‘energy_bonddipole_adsorbates_cations’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,341 9336 | REAL energy_bonddipole_adsorbates,energy_bonddipole_adsorbates_cations,energy_bonddipole_framework_adsorbates; 2025-09-09T13:00:12,341 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:00:12,353 src/ewald.c:9336:8: warning: variable ‘energy_bonddipole_adsorbates’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,353 9336 | REAL energy_bonddipole_adsorbates,energy_bonddipole_adsorbates_cations,energy_bonddipole_framework_adsorbates; 2025-09-09T13:00:12,353 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:00:12,365 src/ewald.c:9335:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,365 9335 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2025-09-09T13:00:12,365 | ^~~ 2025-09-09T13:00:12,376 src/ewald.c:9333:7: warning: variable ‘nr_of_bonddipole_sites’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,376 9333 | int nr_of_bonddipole_sites,nr_of_bonddipole_sites_old,nr_of_bonddipole_sites_new; 2025-09-09T13:00:12,377 | ^~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:00:12,418 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbateCF’: 2025-09-09T13:00:12,431 src/ewald.c:9678:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,431 9678 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2025-09-09T13:00:12,431 | ^~~ 2025-09-09T13:00:12,473 src/ewald.c: In function ‘CalculateEwaldFourierCation’: 2025-09-09T13:00:12,486 src/ewald.c:10388:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,486 10388 | REAL fac,energy_charge_cations,energy_charge_adsorbates_cations,energy_charge_framework_cations; 2025-09-09T13:00:12,486 | ^~~ 2025-09-09T13:00:12,535 src/ewald.c: In function ‘CalculateEwaldFourierCationCF’: 2025-09-09T13:00:12,549 src/ewald.c:11097:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,549 11097 | REAL fac,energy_charge_cations,energy_charge_adsorbates_cations,energy_charge_framework_cations; 2025-09-09T13:00:12,549 | ^~~ 2025-09-09T13:00:12,587 src/ewald.c: In function ‘CalculateEwaldFourierFrameworkDisplacement’: 2025-09-09T13:00:12,602 src/ewald.c:11938:8: warning: variable ‘NetChargeNew’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,602 11938 | REAL NetChargeNew,NetChargeOld; 2025-09-09T13:00:12,602 | ^~~~~~~~~~~~ 2025-09-09T13:00:12,641 src/ewald.c: In function ‘CalculateEwaldFourierFrameworkAtomTranslate’: 2025-09-09T13:00:12,656 src/ewald.c:12421:13: warning: variable ‘TypeA’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,657 12421 | int B1,B2,TypeA; 2025-09-09T13:00:12,657 | ^~~~~ 2025-09-09T13:00:12,672 src/ewald.c:12412:13: warning: variable ‘index’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,672 12412 | int A1,A2,index,A,B; 2025-09-09T13:00:12,672 | ^~~~~ 2025-09-09T13:00:12,687 src/ewald.c:12408:8: warning: variable ‘NetChargeNew’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,687 12408 | REAL NetChargeNew,NetChargeOld; 2025-09-09T13:00:12,687 | ^~~~~~~~~~~~ 2025-09-09T13:00:12,702 src/ewald.c:12404:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,702 12404 | REAL fac; 2025-09-09T13:00:12,702 | ^~~ 2025-09-09T13:00:12,718 src/ewald.c:12403:7: warning: variable ‘Type’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,718 12403 | int Type; 2025-09-09T13:00:12,718 | ^~~~ 2025-09-09T13:00:12,730 src/ewald.c: In function ‘EwaldFourierElectrostaticPotentialAdsorbate’: 2025-09-09T13:00:12,746 src/ewald.c:13071:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,746 13071 | int typeA,typeB,type; 2025-09-09T13:00:12,746 | ^~~~~ 2025-09-09T13:00:12,762 src/ewald.c:13071:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,762 13071 | int typeA,typeB,type; 2025-09-09T13:00:12,762 | ^~~~~ 2025-09-09T13:00:12,778 src/ewald.c:13068:11: warning: variable ‘kvecs’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,778 13068 | VECTOR *kvecs; 2025-09-09T13:00:12,778 | ^~~~~ 2025-09-09T13:00:12,790 src/ewald.c: In function ‘EwaldFourierElectrostaticPotentialCation’: 2025-09-09T13:00:12,806 src/ewald.c:13237:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,806 13237 | int typeA,typeB,type; 2025-09-09T13:00:12,806 | ^~~~~ 2025-09-09T13:00:12,822 src/ewald.c:13237:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,822 13237 | int typeA,typeB,type; 2025-09-09T13:00:12,822 | ^~~~~ 2025-09-09T13:00:12,838 src/ewald.c:13234:11: warning: variable ‘kvecs’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,838 13234 | VECTOR *kvecs; 2025-09-09T13:00:12,838 | ^~~~~ 2025-09-09T13:00:12,883 src/ewald.c: In function ‘EwaldFourierStaticElectricField’: 2025-09-09T13:00:12,900 src/ewald.c:13407:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,900 13407 | int nvec,type_mol,type,typeA,typeB; 2025-09-09T13:00:12,900 | ^~~~~ 2025-09-09T13:00:12,916 src/ewald.c:13407:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,916 13407 | int nvec,type_mol,type,typeA,typeB; 2025-09-09T13:00:12,916 | ^~~~~ 2025-09-09T13:00:12,968 src/ewald.c: In function ‘ComputeStaticElectricFieldEwald’: 2025-09-09T13:00:12,985 src/ewald.c:14121:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:12,986 14121 | int nvec,type_mol,type,typeA,typeB; 2025-09-09T13:00:12,986 | ^~~~~ 2025-09-09T13:00:13,003 src/ewald.c:14121:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:13,003 14121 | int nvec,type_mol,type,typeA,typeB; 2025-09-09T13:00:13,003 | ^~~~~ 2025-09-09T13:00:13,033 src/ewald.c: In function ‘ComputeElectricFieldFromInducedDipolesEwald’: 2025-09-09T13:00:13,052 src/ewald.c:15597:8: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:13,052 15597 | REAL alpha,fac,temp,fac_self,factor,charge; 2025-09-09T13:00:13,052 | ^~~~~ 2025-09-09T13:00:13,083 src/ewald.c: In function ‘ComputeElectricFieldFromInducedDipolesEwaldMC’: 2025-09-09T13:00:13,103 src/ewald.c:15939:8: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:13,103 15939 | REAL alpha,fac,temp,fac_self,factor,charge; 2025-09-09T13:00:13,103 | ^~~~~ 2025-09-09T13:00:18,008 src/ewald.c: In function ‘CalculateEwaldFourierDerivatives’: 2025-09-09T13:00:18,033 src/ewald.c:19173:17: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:18,033 19173 | REAL *kfactor,alpha,temp; 2025-09-09T13:00:18,033 | ^~~~~ 2025-09-09T13:00:18,057 src/ewald.c:19158:8: warning: variable ‘Usum_framework’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:18,057 19158 | REAL Usum_framework; 2025-09-09T13:00:18,057 | ^~~~~~~~~~~~~~ 2025-09-09T13:00:18,082 src/ewald.c:19156:17: warning: variable ‘CksumFramework’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:18,082 19156 | COMPLEX Cksum,CksumFramework; 2025-09-09T13:00:18,082 | ^~~~~~~~~~~~~~ 2025-09-09T13:00:18,106 src/ewald.c:19143:17: warning: variable ‘energy_term’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:18,106 19143 | REAL exp_term,energy_term; 2025-09-09T13:00:18,106 | ^~~~~~~~~~~ 2025-09-09T13:00:18,131 src/ewald.c:19142:13: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:18,131 19142 | REAL Rksq,fac; 2025-09-09T13:00:18,131 | ^~~ 2025-09-09T13:00:18,155 src/ewald.c:19141:18: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:18,155 19141 | int type,typeA,typeB,Type; 2025-09-09T13:00:18,156 | ^~~~~ 2025-09-09T13:00:18,180 src/ewald.c:19141:12: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:00:18,180 19141 | int type,typeA,typeB,Type; 2025-09-09T13:00:18,180 | ^~~~~ 2025-09-09T13:01:33,201 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 2025-09-09T13:01:33,411 src/framework.c: In function ‘MakeFrameworkCellList’: 2025-09-09T13:01:33,411 src/framework.c:152:18: warning: variable ‘M’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:01:33,411 152 | int i,f1,icell,M; 2025-09-09T13:01:33,411 | ^ 2025-09-09T13:01:33,466 src/framework.c: In function ‘ReadFrameworkDefinitionCIF’: 2025-09-09T13:01:33,467 src/framework.c:362:7: warning: variable ‘NumberOfAtomTypeElementsInBlock’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:01:33,467 362 | int NumberOfAtomTypeElementsInBlock; 2025-09-09T13:01:33,467 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:01:33,600 src/framework.c: In function ‘WriteFrameworkDefinitionCIF’: 2025-09-09T13:01:33,602 src/framework.c:2171:12: warning: variable ‘C’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:01:33,602 2171 | REAL A,B,C; 2025-09-09T13:01:33,602 | ^ 2025-09-09T13:01:33,604 src/framework.c:2171:10: warning: variable ‘B’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:01:33,605 2171 | REAL A,B,C; 2025-09-09T13:01:33,605 | ^ 2025-09-09T13:01:33,607 src/framework.c:2171:8: warning: variable ‘A’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:01:33,607 2171 | REAL A,B,C; 2025-09-09T13:01:33,607 | ^ 2025-09-09T13:01:33,630 src/framework.c: In function ‘ReadFrameworkDefinitionCSSR’: 2025-09-09T13:01:33,634 src/framework.c:3368:14: warning: variable ‘index’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:01:33,634 3368 | int i,temp,index; 2025-09-09T13:01:33,634 | ^~~~~ 2025-09-09T13:01:33,647 src/framework.c: In function ‘WriteFrameworkDefinitionPDB’: 2025-09-09T13:01:33,651 src/framework.c:3672:9: warning: variable ‘Type’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:01:33,651 3672 | int j,Type; 2025-09-09T13:01:33,651 | ^~~~ 2025-09-09T13:01:33,663 src/framework.c: In function ‘WriteFrameworkDefinitionGulp’: 2025-09-09T13:01:33,667 src/framework.c:3768:8: warning: variable ‘SerialNumber’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:01:33,667 3768 | int SerialNumber; // Atom serial number 2025-09-09T13:01:33,667 | ^~~~~~~~~~~~ 2025-09-09T13:01:33,741 src/framework.c: In function ‘ReadIonSitingDefinition’: 2025-09-09T13:01:33,746 src/framework.c:4972:14: warning: variable ‘index’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:01:33,746 4972 | int i,temp,index; 2025-09-09T13:01:33,746 | ^~~~~ 2025-09-09T13:01:33,759 src/framework.c: In function ‘ReturnNumberOfAsymmetricAtoms’: 2025-09-09T13:01:33,765 src/framework.c:5178:16: warning: variable ‘t’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:01:33,765 5178 | VECTOR pos,s,t; 2025-09-09T13:01:33,765 | ^ 2025-09-09T13:01:33,917 src/framework.c: In function ‘ReadFrameworkSpecificDefinition’: 2025-09-09T13:01:33,925 src/framework.c:7174:7: warning: variable ‘NumberOfArguments’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:01:33,925 7174 | int NumberOfArguments; 2025-09-09T13:01:33,925 | ^~~~~~~~~~~~~~~~~ 2025-09-09T13:01:33,947 src/framework.c: In function ‘WriteFrameworkDefinitionDLPOLY’: 2025-09-09T13:01:33,957 src/framework.c:7603:25: warning: variable ‘typeD’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:01:33,957 7603 | int typeA,typeB,typeC,typeD; 2025-09-09T13:01:33,957 | ^~~~~ 2025-09-09T13:01:33,966 src/framework.c:7603:19: warning: variable ‘typeC’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:01:33,966 7603 | int typeA,typeB,typeC,typeD; 2025-09-09T13:01:33,966 | ^~~~~ 2025-09-09T13:01:33,976 src/framework.c:7603:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:01:33,976 7603 | int typeA,typeB,typeC,typeD; 2025-09-09T13:01:33,976 | ^~~~~ 2025-09-09T13:01:34,194 src/framework.c: In function ‘ReadFrameworkDefinition’: 2025-09-09T13:01:34,203 src/framework.c:8109:22: warning: variable ‘index_excluded’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:01:34,204 8109 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2025-09-09T13:01:34,204 | ^~~~~~~~~~~~~~ 2025-09-09T13:01:34,241 src/framework.c: In function ‘MakeExcludedInteractionLists’: 2025-09-09T13:01:34,256 src/framework.c:11688:13: warning: variable ‘TypeB’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:01:34,256 11688 | int TypeA,TypeB; 2025-09-09T13:01:34,256 | ^~~~~ 2025-09-09T13:01:34,271 src/framework.c:11688:7: warning: variable ‘TypeA’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:01:34,271 11688 | int TypeA,TypeB; 2025-09-09T13:01:34,271 | ^~~~~ 2025-09-09T13:01:38,869 src/framework.c: In function ‘WriteFrameworkDefinitionShell’: 2025-09-09T13:01:38,872 src/framework.c:2087:64: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 212 and 222 [-Wformat-overflow=] 2025-09-09T13:01:38,873 2087 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d%s.cell", 2025-09-09T13:01:38,873 | ^~ 2025-09-09T13:01:38,873 ...... 2025-09-09T13:01:38,873 2090 | FileNameAppend); 2025-09-09T13:01:38,873 | ~~~~~~~~~~~~~~ 2025-09-09T13:01:38,875 src/framework.c:2087:7: note: ‘sprintf’ output 40 or more bytes (assuming 305) into a destination of size 256 2025-09-09T13:01:38,875 2087 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d%s.cell", 2025-09-09T13:01:38,875 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:01:38,875 2088 | CurrentSystem,CurrentFramework,string, 2025-09-09T13:01:38,875 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:01:38,875 2089 | NumberOfUnitCells[CurrentSystem].x,NumberOfUnitCells[CurrentSystem].y,NumberOfUnitCells[CurrentSystem].z, 2025-09-09T13:01:38,875 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:01:38,875 2090 | FileNameAppend); 2025-09-09T13:01:38,875 | ~~~~~~~~~~~~~~~ 2025-09-09T13:01:38,878 src/framework.c:2126:64: warning: ‘%s’ directive writing up to 255 bytes into a region of size 222 [-Wformat-overflow=] 2025-09-09T13:01:38,879 2126 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d%s.txt", 2025-09-09T13:01:38,879 | ^~ 2025-09-09T13:01:38,879 ...... 2025-09-09T13:01:38,879 2129 | FileNameAppend); 2025-09-09T13:01:38,879 | ~~~~~~~~~~~~~~ 2025-09-09T13:01:38,881 src/framework.c:2126:7: note: ‘sprintf’ output 39 or more bytes (assuming 294) into a destination of size 256 2025-09-09T13:01:38,881 2126 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d%s.txt", 2025-09-09T13:01:38,881 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:01:38,881 2127 | CurrentSystem,CurrentFramework,string, 2025-09-09T13:01:38,881 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:01:38,881 2128 | NumberOfUnitCells[CurrentSystem].x,NumberOfUnitCells[CurrentSystem].y,NumberOfUnitCells[CurrentSystem].z, 2025-09-09T13:01:38,881 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:01:38,881 2129 | FileNameAppend); 2025-09-09T13:01:38,881 | ~~~~~~~~~~~~~~~ 2025-09-09T13:01:39,016 src/framework.c: In function ‘WriteFrameworkDefinitionMOL’: 2025-09-09T13:01:39,022 src/framework.c:3164:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2025-09-09T13:01:39,022 3164 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.mol",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-09T13:01:39,023 | ^~ ~~~~~~~~~~~~~~ 2025-09-09T13:01:39,026 src/framework.c:3164:9: note: ‘sprintf’ output 33 or more bytes (assuming 288) into a destination of size 256 2025-09-09T13:01:39,026 3164 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.mol",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-09T13:01:39,026 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:01:39,156 src/framework.c: In function ‘WriteFrameworkDefinitionCSSR’: 2025-09-09T13:01:39,162 src/framework.c:3577:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2025-09-09T13:01:39,162 3577 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.cssr",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-09T13:01:39,162 | ^~ ~~~~~~~~~~~~~~ 2025-09-09T13:01:39,167 src/framework.c:3577:9: note: ‘sprintf’ output 34 or more bytes (assuming 289) into a destination of size 256 2025-09-09T13:01:39,167 3577 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.cssr",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-09T13:01:39,167 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:01:39,172 src/framework.c:3644:37: warning: ‘%-6s’ directive output may be truncated writing between 6 and 31 bytes into a region of size 10 [-Wformat-truncation=] 2025-09-09T13:01:39,172 3644 | snprintf(AtomName,10,"%-6s",PseudoAtoms[Framework[CurrentSystem].AtomsAsymmetric[CurrentFramework][j].Type].PrintToPDBName); 2025-09-09T13:01:39,172 | ^~~~ 2025-09-09T13:01:39,176 src/framework.c:3644:15: note: ‘snprintf’ output between 7 and 32 bytes into a destination of size 10 2025-09-09T13:01:39,176 3644 | snprintf(AtomName,10,"%-6s",PseudoAtoms[Framework[CurrentSystem].AtomsAsymmetric[CurrentFramework][j].Type].PrintToPDBName); 2025-09-09T13:01:39,176 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:01:39,181 src/framework.c:3616:37: warning: ‘%-6s’ directive output may be truncated writing between 6 and 31 bytes into a region of size 10 [-Wformat-truncation=] 2025-09-09T13:01:39,181 3616 | snprintf(AtomName,10,"%-6s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2025-09-09T13:01:39,181 | ^~~~ 2025-09-09T13:01:39,186 src/framework.c:3616:15: note: ‘snprintf’ output between 7 and 32 bytes into a destination of size 10 2025-09-09T13:01:39,186 3616 | snprintf(AtomName,10,"%-6s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2025-09-09T13:01:39,186 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:01:39,363 src/framework.c: In function ‘WriteFrameworkDefinitionPDB’: 2025-09-09T13:01:39,369 src/framework.c:3710:52: warning: ‘%s’ directive writing up to 255 bytes into a region of size 230 [-Wformat-overflow=] 2025-09-09T13:01:39,369 3710 | sprintf(buffer,"Movies/System_%d/Framework_%s%s.pdb",CurrentSystem,string,FileNameAppend); 2025-09-09T13:01:39,370 | ^~ ~~~~~~~~~~~~~~ 2025-09-09T13:01:39,374 src/framework.c:3710:7: note: ‘sprintf’ output 31 or more bytes (assuming 286) into a destination of size 256 2025-09-09T13:01:39,374 3710 | sprintf(buffer,"Movies/System_%d/Framework_%s%s.pdb",CurrentSystem,string,FileNameAppend); 2025-09-09T13:01:39,374 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:01:39,381 src/framework.c:3717:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 218 and 228 [-Wformat-overflow=] 2025-09-09T13:01:39,381 3717 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.pdb",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-09T13:01:39,381 | ^~ ~~~~~~~~~~~~~~ 2025-09-09T13:01:39,385 src/framework.c:3717:9: note: ‘sprintf’ output 33 or more bytes (assuming 298) into a destination of size 256 2025-09-09T13:01:39,386 3717 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.pdb",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-09T13:01:39,386 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:01:39,390 src/framework.c:3737:35: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 10 [-Wformat-truncation=] 2025-09-09T13:01:39,391 3737 | snprintf(AtomName,10,"%2s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2025-09-09T13:01:39,391 | ^~~ 2025-09-09T13:01:39,395 src/framework.c:3737:13: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 10 2025-09-09T13:01:39,395 3737 | snprintf(AtomName,10,"%2s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2025-09-09T13:01:39,395 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:01:39,400 src/framework.c:3738:34: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 10 [-Wformat-truncation=] 2025-09-09T13:01:39,400 3738 | snprintf(Element,10,"%2s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2025-09-09T13:01:39,400 | ^~~ 2025-09-09T13:01:39,404 src/framework.c:3738:13: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 10 2025-09-09T13:01:39,404 3738 | snprintf(Element,10,"%2s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2025-09-09T13:01:39,405 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:01:39,616 src/framework.c: In function ‘WriteFrameworkDefinitionGulp’: 2025-09-09T13:01:39,623 src/framework.c:3792:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2025-09-09T13:01:39,623 3792 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.gulp",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-09T13:01:39,623 | ^~ ~~~~~~~~~~~~~~ 2025-09-09T13:01:39,627 src/framework.c:3792:9: note: ‘sprintf’ output 34 or more bytes (assuming 289) into a destination of size 256 2025-09-09T13:01:39,627 3792 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.gulp",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-09T13:01:39,628 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:01:39,903 src/framework.c: In function ‘WriteFrameworkDefinitionVASP’: 2025-09-09T13:01:39,913 src/framework.c:3928:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2025-09-09T13:01:39,913 3928 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.vasp",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-09T13:01:39,914 | ^~ ~~~~~~~~~~~~~~ 2025-09-09T13:01:39,914 src/framework.c:3928:9: note: ‘sprintf’ output 34 or more bytes (assuming 289) into a destination of size 256 2025-09-09T13:01:39,914 3928 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.vasp",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-09T13:01:39,914 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:01:40,067 src/framework.c: In function ‘WriteFrameworkDefinitionTinker’: 2025-09-09T13:01:40,072 src/framework.c:4035:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2025-09-09T13:01:40,072 4035 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.txyz",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-09T13:01:40,072 | ^~ ~~~~~~~~~~~~~~ 2025-09-09T13:01:40,077 src/framework.c:4035:9: note: ‘sprintf’ output 34 or more bytes (assuming 289) into a destination of size 256 2025-09-09T13:01:40,077 4035 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.txyz",CurrentSystem,CurrentFramework,string,FileNameAppend); 2025-09-09T13:01:40,077 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:01:40,083 src/framework.c:4045:31: warning: ‘%3s’ directive writing between 3 and 31 bytes into a region of size 10 [-Wformat-overflow=] 2025-09-09T13:01:40,083 4045 | sprintf(AtomName,"%3s",PseudoAtoms[Type].PrintToPDBName); 2025-09-09T13:01:40,083 | ^~~ 2025-09-09T13:01:40,088 src/framework.c:4045:13: note: ‘sprintf’ output between 4 and 32 bytes into a destination of size 10 2025-09-09T13:01:40,088 4045 | sprintf(AtomName,"%3s",PseudoAtoms[Type].PrintToPDBName); 2025-09-09T13:01:40,088 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:01:41,040 src/framework.c: In function ‘ReadIonSitingDefinition’: 2025-09-09T13:01:41,049 src/framework.c:4977:22: warning: ‘%s’ directive writing 4 bytes into a region of size between 0 and 255 [-Wformat-overflow=] 2025-09-09T13:01:41,049 4977 | sprintf(buffer,"%s.%s",Framework[CurrentSystem].NameIons,"ions"); 2025-09-09T13:01:41,049 | ^~ ~~~~~~ 2025-09-09T13:01:41,055 src/framework.c:4977:3: note: ‘sprintf’ output between 6 and 261 bytes into a destination of size 256 2025-09-09T13:01:41,056 4977 | sprintf(buffer,"%s.%s",Framework[CurrentSystem].NameIons,"ions"); 2025-09-09T13:01:41,056 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:01:41,062 src/framework.c:4980:52: warning: ‘%s’ directive writing up to 255 bytes into a region of size 227 [-Wformat-overflow=] 2025-09-09T13:01:41,062 4980 | sprintf(buffer,"%s/share/raspa/structures/ions/%s.%s", 2025-09-09T13:01:41,062 | ^~ 2025-09-09T13:01:41,068 src/framework.c:4980:5: note: ‘sprintf’ output 35 or more bytes (assuming 290) into a destination of size 256 2025-09-09T13:01:41,068 4980 | sprintf(buffer,"%s/share/raspa/structures/ions/%s.%s", 2025-09-09T13:01:41,068 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:01:41,068 4981 | RASPA_DIRECTORY, 2025-09-09T13:01:41,068 | ~~~~~~~~~~~~~~~~ 2025-09-09T13:01:41,068 4982 | Framework[CurrentSystem].NameIons, 2025-09-09T13:01:41,068 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:01:41,068 4983 | "ions"); 2025-09-09T13:01:41,068 | ~~~~~~~ 2025-09-09T13:01:49,137 src/framework.c: In function ‘WriteFrameworkDefinitionCIF.part.0’: 2025-09-09T13:01:49,141 src/framework.c:2216:69: warning: ‘%s’ directive writing up to 255 bytes into a region of size 217 [-Wformat-overflow=] 2025-09-09T13:01:49,141 2216 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d_VASP%s.cif", 2025-09-09T13:01:49,141 | ^~ 2025-09-09T13:01:49,141 ...... 2025-09-09T13:01:49,141 2219 | FileNameAppend); 2025-09-09T13:01:49,141 | ~~~~~~~~~~~~~~ 2025-09-09T13:01:49,144 src/framework.c:2216:7: note: ‘sprintf’ output 44 or more bytes (assuming 299) into a destination of size 256 2025-09-09T13:01:49,144 2216 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d_VASP%s.cif", 2025-09-09T13:01:49,144 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:01:49,144 2217 | CurrentSystem,CurrentFramework,string, 2025-09-09T13:01:49,144 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:01:49,144 2218 | NumberOfUnitCells[CurrentSystem].x,NumberOfUnitCells[CurrentSystem].y,NumberOfUnitCells[CurrentSystem].z, 2025-09-09T13:01:49,144 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:01:49,144 2219 | FileNameAppend); 2025-09-09T13:01:49,144 | ~~~~~~~~~~~~~~~ 2025-09-09T13:01:49,150 src/framework.c:2443:67: warning: ‘%s’ directive writing up to 255 bytes into a region of size 219 [-Wformat-overflow=] 2025-09-09T13:01:49,150 2443 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d_P1%s.cif", 2025-09-09T13:01:49,150 | ^~ 2025-09-09T13:01:49,150 ...... 2025-09-09T13:01:49,150 2446 | FileNameAppend); 2025-09-09T13:01:49,150 | ~~~~~~~~~~~~~~ 2025-09-09T13:01:49,153 src/framework.c:2443:7: note: ‘sprintf’ output 42 or more bytes (assuming 297) into a destination of size 256 2025-09-09T13:01:49,153 2443 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d_P1%s.cif", 2025-09-09T13:01:49,153 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:01:49,153 2444 | CurrentSystem,CurrentFramework,string, 2025-09-09T13:01:49,154 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:01:49,154 2445 | NumberOfUnitCells[CurrentSystem].x,NumberOfUnitCells[CurrentSystem].y,NumberOfUnitCells[CurrentSystem].z, 2025-09-09T13:01:49,154 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:01:49,154 2446 | FileNameAppend); 2025-09-09T13:01:49,154 | ~~~~~~~~~~~~~~~ 2025-09-09T13:01:49,160 src/framework.c:2662:66: warning: ‘%s’ directive writing up to 255 bytes into a region of size 222 [-Wformat-overflow=] 2025-09-09T13:01:49,160 2662 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d%s.cif", 2025-09-09T13:01:49,160 | ^~ 2025-09-09T13:01:49,160 2663 | CurrentSystem,CurrentFramework,string,1,1,1,FileNameAppend); 2025-09-09T13:01:49,160 | ~~~~~~~~~~~~~~ 2025-09-09T13:01:49,163 src/framework.c:2662:9: note: ‘sprintf’ output 39 or more bytes (assuming 294) into a destination of size 256 2025-09-09T13:01:49,163 2662 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d%s.cif", 2025-09-09T13:01:49,163 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:01:49,164 2663 | CurrentSystem,CurrentFramework,string,1,1,1,FileNameAppend); 2025-09-09T13:01:49,164 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:01:52,163 src/framework.c: In function ‘AddBondTypeToDefinitions’: 2025-09-09T13:01:52,171 src/framework.c:6780:18: warning: ‘NumberOfArguments’ may be used uninitialized [-Wmaybe-uninitialized] 2025-09-09T13:01:52,171 6780 | for(j=0;j= num_terms) 2025-09-09T13:08:10,984 | ^~ 2025-09-09T13:08:10,987 src/matrix.c:2291:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2025-09-09T13:08:10,987 2291 | for( i = 0; i < mp; ++i ) 2025-09-09T13:08:10,987 | ^ 2025-09-09T13:08:10,989 src/matrix.c:2295:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2025-09-09T13:08:10,989 2295 | for( j = 0; j < np; ++j ) 2025-09-09T13:08:10,989 | ^ 2025-09-09T13:08:10,991 src/matrix.c:2300:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2025-09-09T13:08:10,991 2300 | for( i = 0; i < np; ++i ) 2025-09-09T13:08:10,991 | ^ 2025-09-09T13:08:10,993 src/matrix.c:2304:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2025-09-09T13:08:10,993 2304 | for( j = 0; j < np; ++j ) 2025-09-09T13:08:10,993 | ^ 2025-09-09T13:08:10,995 src/matrix.c:2309:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2025-09-09T13:08:10,995 2309 | for( i = 0; i < np; ++i ) 2025-09-09T13:08:10,995 | ^ 2025-09-09T13:08:10,997 src/matrix.c:2314:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2025-09-09T13:08:10,997 2314 | for( i = 0; i < np; ++i ) 2025-09-09T13:08:10,997 | ^ 2025-09-09T13:08:10,999 src/matrix.c:2317:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2025-09-09T13:08:10,999 2317 | for( j = 0; j < np; ++j ) 2025-09-09T13:08:10,999 | ^ 2025-09-09T13:08:11,002 src/matrix.c:2262:13: warning: variable ‘vm’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:08:11,002 2262 | double *vm = NULL; 2025-09-09T13:08:11,002 | ^~ 2025-09-09T13:08:17,228 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 2025-09-09T13:08:17,889 src/mc_moves.c: In function ‘WidomAdsorbateMove’: 2025-09-09T13:08:17,900 src/mc_moves.c:7849:8: warning: variable ‘UCFMCAdsorbate’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:08:17,900 7849 | REAL UCFMCAdsorbate; 2025-09-09T13:08:17,900 | ^~~~~~~~~~~~~~ 2025-09-09T13:08:17,905 src/mc_moves.c: In function ‘WidomCationMove’: 2025-09-09T13:08:17,916 src/mc_moves.c:7953:8: warning: variable ‘UCFMCCation’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:08:17,916 7953 | REAL UCFMCCation; 2025-09-09T13:08:17,916 | ^~~~~~~~~~~ 2025-09-09T13:08:17,952 src/mc_moves.c: In function ‘CFWidomLambaAdsorbateMove’: 2025-09-09T13:08:17,963 src/mc_moves.c:8065:7: warning: variable ‘SelectedRetraceMolecule’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:08:17,963 8065 | int SelectedRetraceMolecule; 2025-09-09T13:08:17,963 | ^~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:08:17,998 src/mc_moves.c: In function ‘CFWidomLambaCationMove’: 2025-09-09T13:08:18,010 src/mc_moves.c:8329:7: warning: variable ‘SelectedRetraceMolecule’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:08:18,010 8329 | int SelectedRetraceMolecule; 2025-09-09T13:08:18,010 | ^~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:08:18,103 src/mc_moves.c: In function ‘VolumeMove’: 2025-09-09T13:08:18,115 src/mc_moves.c:9026:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:08:18,115 9026 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2025-09-09T13:08:18,115 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:08:18,163 src/mc_moves.c: In function ‘BoxShapeChangeMove’: 2025-09-09T13:08:18,176 src/mc_moves.c:9648:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:08:18,177 9648 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2025-09-09T13:08:18,177 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:08:18,193 src/mc_moves.c: In function ‘ParallelTemperingMove’: 2025-09-09T13:08:18,208 src/mc_moves.c:10254:25: warning: variable ‘PartialFugacityB’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:08:18,208 10254 | REAL PartialFugacityA,PartialFugacityB; 2025-09-09T13:08:18,208 | ^~~~~~~~~~~~~~~~ 2025-09-09T13:08:18,222 src/mc_moves.c:10254:8: warning: variable ‘PartialFugacityA’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:08:18,222 10254 | REAL PartialFugacityA,PartialFugacityB; 2025-09-09T13:08:18,222 | ^~~~~~~~~~~~~~~~ 2025-09-09T13:08:18,288 src/mc_moves.c: In function ‘ChiralInversionMove’: 2025-09-09T13:08:18,303 src/mc_moves.c:11018:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:08:18,304 11018 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2025-09-09T13:08:18,304 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:08:18,783 src/mc_moves.c: In function ‘HybridNVEMove’: 2025-09-09T13:08:18,804 src/mc_moves.c:14802:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:08:18,805 14802 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2025-09-09T13:08:18,805 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:08:18,895 src/mc_moves.c: In function ‘HybridNPHMove’: 2025-09-09T13:08:18,917 src/mc_moves.c:15356:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:08:18,917 15356 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2025-09-09T13:08:18,917 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:08:19,020 src/mc_moves.c: In function ‘HybridNPHPRMove’: 2025-09-09T13:08:19,043 src/mc_moves.c:15908:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:08:19,043 15908 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2025-09-09T13:08:19,043 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:08:19,130 src/mc_moves.c: In function ‘CFWangLandauIteration’: 2025-09-09T13:08:19,154 src/mc_moves.c:16510:17: warning: variable ‘MostProbableIndex’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:08:19,154 16510 | int condition,MostProbableIndex; 2025-09-09T13:08:19,154 | ^~~~~~~~~~~~~~~~~ 2025-09-09T13:08:20,274 src/mc_moves.c: In function ‘CFGibbsParticleTransferAdsorbateMove’: 2025-09-09T13:08:20,304 src/mc_moves.c:20541:8: warning: variable ‘Rosen’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:08:20,304 20541 | REAL Rosen,RosenbluthNew,RosenbluthOld; 2025-09-09T13:08:20,304 | ^~~~~ 2025-09-09T13:08:20,687 src/mc_moves.c: In function ‘CFGibbsParticleTransferCationMove’: 2025-09-09T13:08:20,720 src/mc_moves.c:22055:8: warning: variable ‘PartialFugacity’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:08:20,720 22055 | REAL PartialFugacity,UTailDelta[2]; 2025-09-09T13:08:20,720 | ^~~~~~~~~~~~~~~ 2025-09-09T13:08:21,230 src/mc_moves.c: In function ‘CBCFGibbsParticleTransferAdsorbateMove’: 2025-09-09T13:08:21,264 src/mc_moves.c:23630:8: warning: variable ‘Rosen’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:08:21,265 23630 | REAL Rosen,RosenbluthNewA,RosenbluthOldA,RosenbluthNewB,RosenbluthOldB; 2025-09-09T13:08:21,265 | ^~~~~ 2025-09-09T13:08:21,767 src/mc_moves.c: In function ‘CBCFGibbsParticleTransferCationMove’: 2025-09-09T13:08:21,804 src/mc_moves.c:25453:8: warning: variable ‘Rosen’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:08:21,804 25453 | REAL Rosen,RosenbluthNewA,RosenbluthOldA,RosenbluthNewB,RosenbluthOldB; 2025-09-09T13:08:21,805 | ^~~~~ 2025-09-09T13:08:22,194 src/mc_moves.c: In function ‘CFRXMCWangLandauIteration’: 2025-09-09T13:08:22,236 src/mc_moves.c:28288:17: warning: variable ‘MostProbableIndex’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:08:22,236 28288 | int condition,MostProbableIndex; 2025-09-09T13:08:22,236 | ^~~~~~~~~~~~~~~~~ 2025-09-09T13:08:22,578 src/mc_moves.c: In function ‘CFGibbsSwapFractionalMoleculeToOtherBoxMove’: 2025-09-09T13:08:22,621 src/mc_moves.c:28775:86: warning: variable ‘UAdsorbateIntraBondDipoleBondDipoleFirstStep’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:08:22,621 28775 | REAL UAdsorbateIntraChargeChargeFirstStep,UAdsorbateIntraChargeBondDipoleFirstStep,UAdsorbateIntraBondDipoleBondDipoleFirstStep; 2025-09-09T13:08:22,621 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:08:22,664 src/mc_moves.c:28775:45: warning: variable ‘UAdsorbateIntraChargeBondDipoleFirstStep’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:08:22,664 28775 | REAL UAdsorbateIntraChargeChargeFirstStep,UAdsorbateIntraChargeBondDipoleFirstStep,UAdsorbateIntraBondDipoleBondDipoleFirstStep; 2025-09-09T13:08:22,664 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:08:22,707 src/mc_moves.c:28775:8: warning: variable ‘UAdsorbateIntraChargeChargeFirstStep’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:08:22,707 28775 | REAL UAdsorbateIntraChargeChargeFirstStep,UAdsorbateIntraChargeBondDipoleFirstStep,UAdsorbateIntraBondDipoleBondDipoleFirstStep; 2025-09-09T13:08:22,707 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:08:53,505 src/mc_moves.c: In function ‘VolumeMove’: 2025-09-09T13:08:53,517 src/mc_moves.c:9327:55: warning: ‘scale’ may be used uninitialized [-Wmaybe-uninitialized] 2025-09-09T13:08:53,518 9327 | Framework[CurrentSystem].Atoms[f1][i].Position.z*=scale; 2025-09-09T13:08:53,518 | ^~ 2025-09-09T13:08:53,530 src/mc_moves.c:8969:16: note: ‘scale’ was declared here 2025-09-09T13:08:53,530 8969 | REAL vol,det,scale; 2025-09-09T13:08:53,530 | ^~~~~ 2025-09-09T13:09:03,040 src/mc_moves.c: In function ‘GibbsParticleTransferAdsorbateMove’: 2025-09-09T13:09:03,056 src/mc_moves.c:12411:37: warning: ‘NetChargeDeltaNew’ may be used uninitialized [-Wmaybe-uninitialized] 2025-09-09T13:09:03,056 12411 | NetChargeSystem[CurrentSystem]+=NetChargeDeltaNew; 2025-09-09T13:09:03,056 | ^~ 2025-09-09T13:09:03,073 src/mc_moves.c:12169:8: note: ‘NetChargeDeltaNew’ was declared here 2025-09-09T13:09:03,073 12169 | REAL NetChargeDeltaNew,NetChargeDeltaOld; 2025-09-09T13:09:03,073 | ^~~~~~~~~~~~~~~~~ 2025-09-09T13:09:03,089 src/mc_moves.c:12533:37: warning: ‘NetChargeDeltaOld’ may be used uninitialized [-Wmaybe-uninitialized] 2025-09-09T13:09:03,089 12533 | NetChargeSystem[CurrentSystem]+=NetChargeDeltaOld; 2025-09-09T13:09:03,090 | ^~ 2025-09-09T13:09:03,106 src/mc_moves.c:12169:26: note: ‘NetChargeDeltaOld’ was declared here 2025-09-09T13:09:03,107 12169 | REAL NetChargeDeltaNew,NetChargeDeltaOld; 2025-09-09T13:09:03,107 | ^~~~~~~~~~~~~~~~~ 2025-09-09T13:09:04,125 src/mc_moves.c: In function ‘GibbsParticleTransferCationMove’: 2025-09-09T13:09:04,141 src/mc_moves.c:12811:37: warning: ‘NetChargeDeltaNew’ may be used uninitialized [-Wmaybe-uninitialized] 2025-09-09T13:09:04,142 12811 | NetChargeSystem[CurrentSystem]+=NetChargeDeltaNew; 2025-09-09T13:09:04,142 | ^~ 2025-09-09T13:09:04,159 src/mc_moves.c:12573:8: note: ‘NetChargeDeltaNew’ was declared here 2025-09-09T13:09:04,159 12573 | REAL NetChargeDeltaNew,NetChargeDeltaOld; 2025-09-09T13:09:04,159 | ^~~~~~~~~~~~~~~~~ 2025-09-09T13:09:04,176 src/mc_moves.c:12933:37: warning: ‘NetChargeDeltaOld’ may be used uninitialized [-Wmaybe-uninitialized] 2025-09-09T13:09:04,176 12933 | NetChargeSystem[CurrentSystem]+=NetChargeDeltaOld; 2025-09-09T13:09:04,176 | ^~ 2025-09-09T13:09:04,193 src/mc_moves.c:12573:26: note: ‘NetChargeDeltaOld’ was declared here 2025-09-09T13:09:04,194 12573 | REAL NetChargeDeltaNew,NetChargeDeltaOld; 2025-09-09T13:09:04,194 | ^~~~~~~~~~~~~~~~~ 2025-09-09T13:09:15,092 src/mc_moves.c: In function ‘CFWangLandauIteration’: 2025-09-09T13:09:15,114 src/mc_moves.c:16591:46: warning: ‘MostProbableValue’ may be used uninitialized [-Wmaybe-uninitialized] 2025-09-09T13:09:15,114 16591 | if(CFLambdaHistogram[i][j][k]<0.8*MostProbableValue) 2025-09-09T13:09:15,114 | ~~~^~~~~~~~~~~~~~~~~~ 2025-09-09T13:09:15,138 src/mc_moves.c:16511:15: note: ‘MostProbableValue’ was declared here 2025-09-09T13:09:15,138 16511 | REAL Lambda,MostProbableValue; 2025-09-09T13:09:15,138 | ^~~~~~~~~~~~~~~~~ 2025-09-09T13:09:15,595 src/mc_moves.c: In function ‘CFSwapLambaAdsorbateMove’: 2025-09-09T13:09:15,617 src/mc_moves.c:17254:39: warning: ‘UTailDelta’ may be used uninitialized [-Wmaybe-uninitialized] 2025-09-09T13:09:15,617 17254 | UTailCorrection[CurrentSystem]+=UTailDelta; 2025-09-09T13:09:15,618 | ^~ 2025-09-09T13:09:15,641 src/mc_moves.c:16683:60: note: ‘UTailDelta’ was declared here 2025-09-09T13:09:15,641 16683 | REAL PartialFugacity,LambdaNew,LambdaOld,BiasNew,BiasOld,UTailDelta; 2025-09-09T13:09:15,641 | ^~~~~~~~~~ 2025-09-09T13:09:15,663 src/mc_moves.c:17184:53: warning: ‘UAdsorbateIntraChargeChargeFirstStep’ may be used uninitialized [-Wmaybe-uninitialized] 2025-09-09T13:09:15,663 17184 | UAdsorbateIntraChargeCharge[CurrentSystem]+=UAdsorbateIntraChargeChargeFirstStep; 2025-09-09T13:09:15,663 | ^~ 2025-09-09T13:09:15,686 src/mc_moves.c:16681:8: note: ‘UAdsorbateIntraChargeChargeFirstStep’ was declared here 2025-09-09T13:09:15,687 16681 | REAL UAdsorbateIntraChargeChargeFirstStep,UAdsorbateIntraChargeBondDipoleFirstStep,UAdsorbateIntraBondDipoleBondDipoleFirstStep; 2025-09-09T13:09:15,687 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:09:15,708 src/mc_moves.c:17185:57: warning: ‘UAdsorbateIntraChargeBondDipoleFirstStep’ may be used uninitialized [-Wmaybe-uninitialized] 2025-09-09T13:09:15,709 17185 | UAdsorbateIntraChargeBondDipole[CurrentSystem]+=UAdsorbateIntraChargeBondDipoleFirstStep; 2025-09-09T13:09:15,709 | ^~ 2025-09-09T13:09:15,732 src/mc_moves.c:16681:45: note: ‘UAdsorbateIntraChargeBondDipoleFirstStep’ was declared here 2025-09-09T13:09:15,732 16681 | REAL UAdsorbateIntraChargeChargeFirstStep,UAdsorbateIntraChargeBondDipoleFirstStep,UAdsorbateIntraBondDipoleBondDipoleFirstStep; 2025-09-09T13:09:15,732 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:09:15,754 src/mc_moves.c:17187:111: warning: ‘UAdsorbateIntraBondDipoleBondDipoleFirstStep’ may be used uninitialized [-Wmaybe-uninitialized] 2025-09-09T13:09:15,754 17187 | UTotal[CurrentSystem]+=UAdsorbateIntraChargeChargeFirstStep+UAdsorbateIntraChargeBondDipoleFirstStep+UAdsorbateIntraBondDipoleBondDipoleFirstStep; 2025-09-09T13:09:15,754 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:09:15,778 src/mc_moves.c:16681:86: note: ‘UAdsorbateIntraBondDipoleBondDipoleFirstStep’ was declared here 2025-09-09T13:09:15,778 16681 | REAL UAdsorbateIntraChargeChargeFirstStep,UAdsorbateIntraChargeBondDipoleFirstStep,UAdsorbateIntraBondDipoleBondDipoleFirstStep; 2025-09-09T13:09:15,778 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:09:17,205 src/mc_moves.c: In function ‘CFSwapLambaCationMove’: 2025-09-09T13:09:17,228 src/mc_moves.c:18019:39: warning: ‘UTailDelta’ may be used uninitialized [-Wmaybe-uninitialized] 2025-09-09T13:09:17,229 18019 | UTailCorrection[CurrentSystem]+=UTailDelta; 2025-09-09T13:09:17,229 | ^~ 2025-09-09T13:09:17,254 src/mc_moves.c:17456:60: note: ‘UTailDelta’ was declared here 2025-09-09T13:09:17,254 17456 | REAL PartialFugacity,LambdaNew,LambdaOld,BiasNew,BiasOld,UTailDelta; 2025-09-09T13:09:17,254 | ^~~~~~~~~~ 2025-09-09T13:09:17,277 src/mc_moves.c:17953:50: warning: ‘UCationIntraChargeChargeFirstStep’ may be used uninitialized [-Wmaybe-uninitialized] 2025-09-09T13:09:17,277 17953 | UCationIntraChargeCharge[CurrentSystem]+=UCationIntraChargeChargeFirstStep; 2025-09-09T13:09:17,278 | ^~ 2025-09-09T13:09:17,302 src/mc_moves.c:17454:8: note: ‘UCationIntraChargeChargeFirstStep’ was declared here 2025-09-09T13:09:17,302 17454 | REAL UCationIntraChargeChargeFirstStep,UCationIntraChargeBondDipoleFirstStep,UCationIntraBondDipoleBondDipoleFirstStep; 2025-09-09T13:09:17,302 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:09:17,325 src/mc_moves.c:17954:54: warning: ‘UCationIntraChargeBondDipoleFirstStep’ may be used uninitialized [-Wmaybe-uninitialized] 2025-09-09T13:09:17,325 17954 | UCationIntraChargeBondDipole[CurrentSystem]+=UCationIntraChargeBondDipoleFirstStep; 2025-09-09T13:09:17,325 | ^~ 2025-09-09T13:09:17,350 src/mc_moves.c:17454:42: note: ‘UCationIntraChargeBondDipoleFirstStep’ was declared here 2025-09-09T13:09:17,350 17454 | REAL UCationIntraChargeChargeFirstStep,UCationIntraChargeBondDipoleFirstStep,UCationIntraBondDipoleBondDipoleFirstStep; 2025-09-09T13:09:17,350 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:09:17,373 src/mc_moves.c:17956:105: warning: ‘UCationIntraBondDipoleBondDipoleFirstStep’ may be used uninitialized [-Wmaybe-uninitialized] 2025-09-09T13:09:17,373 17956 | UTotal[CurrentSystem]+=UCationIntraChargeChargeFirstStep+UCationIntraChargeBondDipoleFirstStep+UCationIntraBondDipoleBondDipoleFirstStep; 2025-09-09T13:09:17,373 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:09:17,398 src/mc_moves.c:17454:80: note: ‘UCationIntraBondDipoleBondDipoleFirstStep’ was declared here 2025-09-09T13:09:17,398 17454 | REAL UCationIntraChargeChargeFirstStep,UCationIntraChargeBondDipoleFirstStep,UCationIntraBondDipoleBondDipoleFirstStep; 2025-09-09T13:09:17,398 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:09:53,136 arm-linux-gnueabihf-gcc -fno-strict-overflow -Wsign-compare -DNDEBUG -g -O2 -Wall -fPIC -Isrc -I/usr/include/python3.13 -c src/minimization.c -o build/temp.linux-armv7l-cpython-313/src/minimization.o 2025-09-09T13:09:53,426 src/minimization.c: In function ‘CalculateBakerSaddlePointStepSize’: 2025-09-09T13:09:53,430 src/minimization.c:3724:30: warning: variable ‘Lambda2’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:09:53,430 3724 | REAL DXSIZE,Lambda,Lambda1,Lambda2; 2025-09-09T13:09:53,430 | ^~~~~~~ 2025-09-09T13:09:53,434 src/minimization.c:3724:22: warning: variable ‘Lambda1’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:09:53,435 3724 | REAL DXSIZE,Lambda,Lambda1,Lambda2; 2025-09-09T13:09:53,435 | ^~~~~~~ 2025-09-09T13:09:53,488 src/minimization.c: In function ‘BakerMinimization’: 2025-09-09T13:09:53,493 src/minimization.c:4157:8: warning: variable ‘StepSizePrevious’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:09:53,493 4157 | REAL StepSizePrevious,StepSize; 2025-09-09T13:09:53,493 | ^~~~~~~~~~~~~~~~ 2025-09-09T13:09:53,521 src/minimization.c: In function ‘NewtonRaphsonMinimization’: 2025-09-09T13:09:53,527 src/minimization.c:4582:8: warning: variable ‘StepSizePrevious’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:09:53,527 4582 | REAL StepSizePrevious,StepSize; 2025-09-09T13:09:53,527 | ^~~~~~~~~~~~~~~~ 2025-09-09T13:10:05,097 arm-linux-gnueabihf-gcc -fno-strict-overflow -Wsign-compare -DNDEBUG -g -O2 -Wall -fPIC -Isrc -I/usr/include/python3.13 -c src/minimization_simulation.c -o build/temp.linux-armv7l-cpython-313/src/minimization_simulation.o 2025-09-09T13:10:05,280 src/minimization_simulation.c: In function ‘MinimalizationSimulation’: 2025-09-09T13:10:05,281 src/minimization_simulation.c:67:14: warning: variable ‘ReferenceEnergy’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:10:05,281 67 | REAL Drift,ReferenceEnergy,ran; 2025-09-09T13:10:05,281 | ^~~~~~~~~~~~~~~ 2025-09-09T13:10:05,281 src/minimization_simulation.c:67:8: warning: variable ‘Drift’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:10:05,281 67 | REAL Drift,ReferenceEnergy,ran; 2025-09-09T13:10:05,281 | ^~~~~ 2025-09-09T13:10:05,619 arm-linux-gnueabihf-gcc -fno-strict-overflow -Wsign-compare -DNDEBUG -g -O2 -Wall -fPIC -Isrc -I/usr/include/python3.13 -c src/molecular_dynamics.c -o build/temp.linux-armv7l-cpython-313/src/molecular_dynamics.o 2025-09-09T13:10:06,486 arm-linux-gnueabihf-gcc -fno-strict-overflow -Wsign-compare -DNDEBUG -g -O2 -Wall -fPIC -Isrc -I/usr/include/python3.13 -c src/molecule.c -o build/temp.linux-armv7l-cpython-313/src/molecule.o 2025-09-09T13:10:06,784 src/molecule.c: In function ‘ReadComponentDefinition’: 2025-09-09T13:10:06,786 src/molecule.c:1150:7: warning: variable ‘atom_nr’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:10:06,786 1150 | int atom_nr; 2025-09-09T13:10:06,786 | ^~~~~~~ 2025-09-09T13:10:09,994 src/molecule.c: In function ‘ReadPseudoAtomsDefinitions’: 2025-09-09T13:10:09,995 src/molecule.c:634:47: warning: ‘%s’ directive writing up to 255 bytes into a region of size 232 [-Wformat-overflow=] 2025-09-09T13:10:09,995 634 | sprintf(buffer,"%s/share/raspa/forcefield/%s/pseudo_atoms.def",RASPA_DIRECTORY,ForceField); 2025-09-09T13:10:09,995 | ^~ ~~~~~~~~~~ 2025-09-09T13:10:09,996 src/molecule.c:634:5: note: ‘sprintf’ output 42 or more bytes (assuming 297) into a destination of size 256 2025-09-09T13:10:09,996 634 | sprintf(buffer,"%s/share/raspa/forcefield/%s/pseudo_atoms.def",RASPA_DIRECTORY,ForceField); 2025-09-09T13:10:09,996 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:10:14,416 src/molecule.c: In function ‘ReadBiasingProfile’: 2025-09-09T13:10:14,423 src/molecule.c:5780:35: warning: ‘%s’ directive writing up to 255 bytes into a region of size 242 [-Wformat-overflow=] 2025-09-09T13:10:14,423 5780 | sprintf(buffer,"BiasingSpline_%s_%d.dat",Components[comp].Name,comp); 2025-09-09T13:10:14,423 | ^~ 2025-09-09T13:10:14,430 src/molecule.c:5780:5: note: ‘sprintf’ output between 21 and 286 bytes into a destination of size 256 2025-09-09T13:10:14,430 5780 | sprintf(buffer,"BiasingSpline_%s_%d.dat",Components[comp].Name,comp); 2025-09-09T13:10:14,430 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:10:15,508 src/molecule.c: In function ‘ReadComponentDefinition’: 2025-09-09T13:10:15,510 src/molecule.c:1167:21: warning: ‘.def’ directive writing 4 bytes into a region of size between 1 and 256 [-Wformat-overflow=] 2025-09-09T13:10:15,510 1167 | sprintf(buffer,"%s.def",Components[comp].Name); 2025-09-09T13:10:15,510 | ^~~~ 2025-09-09T13:10:15,511 src/molecule.c:1167:3: note: ‘sprintf’ output between 5 and 260 bytes into a destination of size 256 2025-09-09T13:10:15,511 1167 | sprintf(buffer,"%s.def",Components[comp].Name); 2025-09-09T13:10:15,512 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:10:15,513 src/molecule.c:1170:46: warning: ‘%s’ directive writing up to 255 bytes into a region of size 233 [-Wformat-overflow=] 2025-09-09T13:10:15,513 1170 | sprintf(buffer,"%s/share/raspa/molecules/%s/%s.%s", 2025-09-09T13:10:15,513 | ^~ 2025-09-09T13:10:15,514 src/molecule.c:1170:5: note: ‘sprintf’ output 29 or more bytes (assuming 539) into a destination of size 256 2025-09-09T13:10:15,514 1170 | sprintf(buffer,"%s/share/raspa/molecules/%s/%s.%s", 2025-09-09T13:10:15,515 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:10:15,515 1171 | RASPA_DIRECTORY, 2025-09-09T13:10:15,515 | ~~~~~~~~~~~~~~~~ 2025-09-09T13:10:15,515 1172 | Components[comp].MoleculeDefinition, 2025-09-09T13:10:15,515 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:10:15,515 1173 | Components[comp].Name, 2025-09-09T13:10:15,515 | ~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:10:15,515 1174 | "def"); 2025-09-09T13:10:15,515 | ~~~~~~ 2025-09-09T13:10:21,713 arm-linux-gnueabihf-gcc -fno-strict-overflow -Wsign-compare -DNDEBUG -g -O2 -Wall -fPIC -Isrc -I/usr/include/python3.13 -c src/molecule_properties.c -o build/temp.linux-armv7l-cpython-313/src/molecule_properties.o 2025-09-09T13:10:22,510 arm-linux-gnueabihf-gcc -fno-strict-overflow -Wsign-compare -DNDEBUG -g -O2 -Wall -fPIC -Isrc -I/usr/include/python3.13 -c src/monte_carlo.c -o build/temp.linux-armv7l-cpython-313/src/monte_carlo.o 2025-09-09T13:10:27,208 arm-linux-gnueabihf-gcc -fno-strict-overflow -Wsign-compare -DNDEBUG -g -O2 -Wall -fPIC -Isrc -I/usr/include/python3.13 -c src/movies.c -o build/temp.linux-armv7l-cpython-313/src/movies.o 2025-09-09T13:10:27,413 src/movies.c: In function ‘WriteVTK’: 2025-09-09T13:10:27,413 src/movies.c:412:10: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:10:27,413 412 | VECTOR fac,pos; 2025-09-09T13:10:27,413 | ^~~ 2025-09-09T13:10:27,426 src/movies.c: In function ‘SamplePDBMovies’: 2025-09-09T13:10:27,428 src/movies.c:1366:7: warning: variable ‘index’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:10:27,428 1366 | int index; 2025-09-09T13:10:27,428 | ^~~~~ 2025-09-09T13:10:27,447 src/movies.c: In function ‘FreeEnergyProfile3D’: 2025-09-09T13:10:27,449 src/movies.c:1889:18: warning: variable ‘InverseCell’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:10:27,449 1889 | REAL_MATRIX3x3 InverseCell; 2025-09-09T13:10:27,449 | ^~~~~~~~~~~ 2025-09-09T13:10:27,451 src/movies.c:1882:13: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:10:27,451 1882 | int x,y,z,typeA,index,temp,start; 2025-09-09T13:10:27,451 | ^~~~~ 2025-09-09T13:10:28,579 src/movies.c: In function ‘WriteVTK’: 2025-09-09T13:10:28,580 src/movies.c:481:38: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 228 and 238 [-Wformat-overflow=] 2025-09-09T13:10:28,580 481 | sprintf(buffer,"VTK/System_%d/Frame%s.vtk",system,FileNameAppend); 2025-09-09T13:10:28,580 | ^~ ~~~~~~~~~~~~~~ 2025-09-09T13:10:28,580 src/movies.c:481:3: note: ‘sprintf’ output between 23 and 288 bytes into a destination of size 256 2025-09-09T13:10:28,581 481 | sprintf(buffer,"VTK/System_%d/Frame%s.vtk",system,FileNameAppend); 2025-09-09T13:10:28,581 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:10:28,583 src/movies.c:645:47: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 219 and 229 [-Wformat-overflow=] 2025-09-09T13:10:28,583 645 | sprintf(buffer,"VTK/System_%d/FrameworkAtoms%s.vtk",system,FileNameAppend); 2025-09-09T13:10:28,583 | ^~ ~~~~~~~~~~~~~~ 2025-09-09T13:10:28,584 src/movies.c:645:3: note: ‘sprintf’ output between 32 and 297 bytes into a destination of size 256 2025-09-09T13:10:28,584 645 | sprintf(buffer,"VTK/System_%d/FrameworkAtoms%s.vtk",system,FileNameAppend); 2025-09-09T13:10:28,584 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:10:28,585 src/movies.c:777:47: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 219 and 229 [-Wformat-overflow=] 2025-09-09T13:10:28,586 777 | sprintf(buffer,"VTK/System_%d/FrameworkBonds%s.vtk",system,FileNameAppend); 2025-09-09T13:10:28,586 | ^~ ~~~~~~~~~~~~~~ 2025-09-09T13:10:28,586 src/movies.c:777:3: note: ‘sprintf’ output between 32 and 297 bytes into a destination of size 256 2025-09-09T13:10:28,586 777 | sprintf(buffer,"VTK/System_%d/FrameworkBonds%s.vtk",system,FileNameAppend); 2025-09-09T13:10:28,587 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:10:28,589 src/movies.c:857:47: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 219 and 229 [-Wformat-overflow=] 2025-09-09T13:10:28,589 857 | sprintf(buffer,"VTK/System_%d/AdsorbateAtoms%s.vtk",system,FileNameAppend); 2025-09-09T13:10:28,589 | ^~ ~~~~~~~~~~~~~~ 2025-09-09T13:10:28,590 src/movies.c:857:3: note: ‘sprintf’ output between 32 and 297 bytes into a destination of size 256 2025-09-09T13:10:28,590 857 | sprintf(buffer,"VTK/System_%d/AdsorbateAtoms%s.vtk",system,FileNameAppend); 2025-09-09T13:10:28,590 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:10:28,592 src/movies.c:1033:45: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 221 and 231 [-Wformat-overflow=] 2025-09-09T13:10:28,592 1033 | sprintf(buffer,"VTK/System_%d/CationsAtoms%s.vtk",system,FileNameAppend); 2025-09-09T13:10:28,592 | ^~ ~~~~~~~~~~~~~~ 2025-09-09T13:10:28,593 src/movies.c:1033:3: note: ‘sprintf’ output between 30 and 295 bytes into a destination of size 256 2025-09-09T13:10:28,593 1033 | sprintf(buffer,"VTK/System_%d/CationsAtoms%s.vtk",system,FileNameAppend); 2025-09-09T13:10:28,593 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:10:28,596 src/movies.c:1250:46: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 217 and 237 [-Wformat-overflow=] 2025-09-09T13:10:28,596 1250 | sprintf(buffer,"VTK/System_%d/Grid_%d%s.vtk",system,l,FileNameAppend); 2025-09-09T13:10:28,596 | ^~ ~~~~~~~~~~~~~~ 2025-09-09T13:10:28,598 src/movies.c:1250:9: note: ‘sprintf’ output between 24 and 299 bytes into a destination of size 256 2025-09-09T13:10:28,598 1250 | sprintf(buffer,"VTK/System_%d/Grid_%d%s.vtk",system,l,FileNameAppend); 2025-09-09T13:10:28,598 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:10:28,600 src/movies.c:1216:46: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 217 and 237 [-Wformat-overflow=] 2025-09-09T13:10:28,600 1216 | sprintf(buffer,"VTK/System_%d/Grid_%d%s.vtk",system,l,FileNameAppend); 2025-09-09T13:10:28,600 | ^~ ~~~~~~~~~~~~~~ 2025-09-09T13:10:28,601 src/movies.c:1216:9: note: ‘sprintf’ output between 24 and 299 bytes into a destination of size 256 2025-09-09T13:10:28,602 1216 | sprintf(buffer,"VTK/System_%d/Grid_%d%s.vtk",system,l,FileNameAppend); 2025-09-09T13:10:28,602 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:10:30,191 src/movies.c: In function ‘WriteMolecule’: 2025-09-09T13:10:30,193 src/movies.c:1337:30: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 236 and 246 [-Wformat-overflow=] 2025-09-09T13:10:30,193 1337 | sprintf(buffer,"molecule_%d%s.vtk",count,FileNameAppend); 2025-09-09T13:10:30,193 | ^~ ~~~~~~~~~~~~~~ 2025-09-09T13:10:30,195 src/movies.c:1337:3: note: ‘sprintf’ output between 15 and 280 bytes into a destination of size 256 2025-09-09T13:10:30,195 1337 | sprintf(buffer,"molecule_%d%s.vtk",count,FileNameAppend); 2025-09-09T13:10:30,195 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:10:30,370 src/movies.c: In function ‘SamplePDBMovies’: 2025-09-09T13:10:30,371 src/movies.c:1559:36: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 5 [-Wformat-truncation=] 2025-09-09T13:10:30,371 1559 | snprintf(AtomName,5,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2025-09-09T13:10:30,372 | ^~~ 2025-09-09T13:10:30,373 src/movies.c:1559:15: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 5 2025-09-09T13:10:30,373 1559 | snprintf(AtomName,5,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2025-09-09T13:10:30,373 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:10:30,375 src/movies.c:1560:35: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 3 [-Wformat-truncation=] 2025-09-09T13:10:30,375 1560 | snprintf(Element,3,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2025-09-09T13:10:30,375 | ^~~ 2025-09-09T13:10:30,377 src/movies.c:1560:15: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 3 2025-09-09T13:10:30,377 1560 | snprintf(Element,3,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2025-09-09T13:10:30,377 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:10:30,379 src/movies.c:1606:34: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 5 [-Wformat-truncation=] 2025-09-09T13:10:30,379 1606 | snprintf(AtomName,5,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2025-09-09T13:10:30,379 | ^~~ 2025-09-09T13:10:30,381 src/movies.c:1606:13: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 5 2025-09-09T13:10:30,381 1606 | snprintf(AtomName,5,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2025-09-09T13:10:30,381 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:10:30,383 src/movies.c:1607:33: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 3 [-Wformat-truncation=] 2025-09-09T13:10:30,383 1607 | snprintf(Element,3,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2025-09-09T13:10:30,383 | ^~~ 2025-09-09T13:10:30,385 src/movies.c:1607:13: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 3 2025-09-09T13:10:30,385 1607 | snprintf(Element,3,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2025-09-09T13:10:30,385 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:10:30,387 src/movies.c:1642:34: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 5 [-Wformat-truncation=] 2025-09-09T13:10:30,387 1642 | snprintf(AtomName,5,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2025-09-09T13:10:30,387 | ^~~ 2025-09-09T13:10:30,389 src/movies.c:1642:13: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 5 2025-09-09T13:10:30,389 1642 | snprintf(AtomName,5,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2025-09-09T13:10:30,389 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:10:30,391 src/movies.c:1643:33: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 3 [-Wformat-truncation=] 2025-09-09T13:10:30,391 1643 | snprintf(Element,3,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2025-09-09T13:10:30,391 | ^~~ 2025-09-09T13:10:30,393 src/movies.c:1643:13: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 3 2025-09-09T13:10:30,393 1643 | snprintf(Element,3,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2025-09-09T13:10:30,393 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:10:31,198 src/movies.c: In function ‘FreeEnergyProfile3D’: 2025-09-09T13:10:31,201 src/movies.c:2004:53: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 217 and 227 [-Wformat-overflow=] 2025-09-09T13:10:31,201 2004 | sprintf(buffer,"VTK/System_%d/FrameworkSurface%s.vtk",CurrentSystem,FileNameAppend); 2025-09-09T13:10:31,201 | ^~ ~~~~~~~~~~~~~~ 2025-09-09T13:10:31,203 src/movies.c:2004:7: note: ‘sprintf’ output between 34 and 299 bytes into a destination of size 256 2025-09-09T13:10:31,203 2004 | sprintf(buffer,"VTK/System_%d/FrameworkSurface%s.vtk",CurrentSystem,FileNameAppend); 2025-09-09T13:10:31,203 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:10:31,657 src/movies.c: In function ‘WriteSnapshotTinker’: 2025-09-09T13:10:31,661 src/movies.c:2228:49: warning: ‘%s’ directive writing up to 255 bytes into a region of size 231 [-Wformat-overflow=] 2025-09-09T13:10:31,661 2228 | sprintf(buffer,"Tinker/System_%d/Snapshot_%s%s.txyz",CurrentSystem,string,FileNameAppend); 2025-09-09T13:10:31,661 | ^~ ~~~~~~~~~~~~~~ 2025-09-09T13:10:31,663 src/movies.c:2228:5: note: ‘sprintf’ output 31 or more bytes (assuming 286) into a destination of size 256 2025-09-09T13:10:31,663 2228 | sprintf(buffer,"Tinker/System_%d/Snapshot_%s%s.txyz",CurrentSystem,string,FileNameAppend); 2025-09-09T13:10:31,663 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:10:31,666 src/movies.c:2249:31: warning: ‘%3s’ directive writing between 3 and 31 bytes into a region of size 10 [-Wformat-overflow=] 2025-09-09T13:10:31,666 2249 | sprintf(AtomName,"%3s",PseudoAtoms[Type].PrintToPDBName); 2025-09-09T13:10:31,666 | ^~~ 2025-09-09T13:10:31,668 src/movies.c:2249:13: note: ‘sprintf’ output between 4 and 32 bytes into a destination of size 10 2025-09-09T13:10:31,668 2249 | sprintf(AtomName,"%3s",PseudoAtoms[Type].PrintToPDBName); 2025-09-09T13:10:31,668 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:10:31,671 src/movies.c:2271:29: warning: ‘%3s’ directive writing between 3 and 31 bytes into a region of size 10 [-Wformat-overflow=] 2025-09-09T13:10:31,671 2271 | sprintf(AtomName,"%3s",PseudoAtoms[Adsorbates[CurrentSystem][i].Atoms[j].Type].PrintToPDBName); 2025-09-09T13:10:31,671 | ^~~ 2025-09-09T13:10:31,674 src/movies.c:2271:11: note: ‘sprintf’ output between 4 and 32 bytes into a destination of size 10 2025-09-09T13:10:31,674 2271 | sprintf(AtomName,"%3s",PseudoAtoms[Adsorbates[CurrentSystem][i].Atoms[j].Type].PrintToPDBName); 2025-09-09T13:10:31,674 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:10:31,678 src/movies.c:2285:43: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 225 and 235 [-Wformat-overflow=] 2025-09-09T13:10:31,678 2285 | sprintf(buffer,"Tinker/System_%d/RASPA%s.key",CurrentSystem,FileNameAppend); 2025-09-09T13:10:31,678 | ^~ ~~~~~~~~~~~~~~ 2025-09-09T13:10:31,680 src/movies.c:2285:5: note: ‘sprintf’ output between 26 and 291 bytes into a destination of size 256 2025-09-09T13:10:31,680 2285 | sprintf(buffer,"Tinker/System_%d/RASPA%s.key",CurrentSystem,FileNameAppend); 2025-09-09T13:10:31,680 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:10:32,182 arm-linux-gnueabihf-gcc -fno-strict-overflow -Wsign-compare -DNDEBUG -g -O2 -Wall -fPIC -Isrc -I/usr/include/python3.13 -c src/numerical.c -o build/temp.linux-armv7l-cpython-313/src/numerical.o 2025-09-09T13:10:32,378 src/numerical.c: In function ‘ComputeGradientsNumerically’: 2025-09-09T13:10:32,378 src/numerical.c:435:8: warning: variable ‘EnergyCentral’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:10:32,379 435 | REAL EnergyCentral,EnergyForward1,EnergyForward2,EnergyBackward1,EnergyBackward2; 2025-09-09T13:10:32,379 | ^~~~~~~~~~~~~ 2025-09-09T13:10:32,379 src/numerical.c:434:14: warning: variable ‘force’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:10:32,379 434 | VECTOR pos,force,derivative; 2025-09-09T13:10:32,379 | ^~~~~ 2025-09-09T13:10:32,380 src/numerical.c:433:7: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:10:32,380 433 | int type; 2025-09-09T13:10:32,380 | ^~~~ 2025-09-09T13:10:32,485 src/numerical.c: In function ‘ComputeStrainDerivativeNumerically’: 2025-09-09T13:10:32,487 src/numerical.c:1892:8: warning: variable ‘EnergyCentral’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:10:32,487 1892 | REAL EnergyCentral,EnergyForward1,EnergyForward2,EnergyBackward1,EnergyBackward2,det; 2025-09-09T13:10:32,487 | ^~~~~~~~~~~~~ 2025-09-09T13:10:32,547 src/numerical.c: In function ‘ComputeStrainSecondDerivativeNumerically’: 2025-09-09T13:10:32,551 src/numerical.c:2926:18: warning: variable ‘StrainDerivativeCentral’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:10:32,551 2926 | REAL_MATRIX3x3 StrainDerivativeCentral,StrainDerivativeForward1,StrainDerivativeForward2; 2025-09-09T13:10:32,551 | ^~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:10:32,569 src/numerical.c: In function ‘TestEnergyForcesHessian’: 2025-09-09T13:10:32,574 src/numerical.c:3994:14: warning: variable ‘vel’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:10:32,574 3994 | VECTOR pos,vel,force; 2025-09-09T13:10:32,574 | ^~~ 2025-09-09T13:10:32,579 src/numerical.c:3993:15: warning: variable ‘AtomType’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:10:32,579 3993 | int MolType,AtomType; 2025-09-09T13:10:32,580 | ^~~~~~~~ 2025-09-09T13:10:32,587 src/numerical.c: In function ‘TestElectricField2’: 2025-09-09T13:10:32,592 src/numerical.c:4088:8: warning: variable ‘EnergyCentral’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:10:32,592 4088 | REAL EnergyCentral,EnergyForward2,EnergyForward1,EnergyBackward1,EnergyBackward2; 2025-09-09T13:10:32,592 | ^~~~~~~~~~~~~ 2025-09-09T13:10:32,619 src/numerical.c: In function ‘ComputeCrossTermNumerically’: 2025-09-09T13:10:32,625 src/numerical.c:4484:7: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:10:32,625 4484 | int type; 2025-09-09T13:10:32,625 | ^~~~ 2025-09-09T13:10:32,639 src/numerical.c: In function ‘AddRemainderOfCrossTermNumerically’: 2025-09-09T13:10:32,645 src/numerical.c:4973:7: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:10:32,645 4973 | int type; 2025-09-09T13:10:32,645 | ^~~~ 2025-09-09T13:10:32,680 src/numerical.c: In function ‘AddRemainderOfBornTermNumerically’: 2025-09-09T13:10:32,686 src/numerical.c:5181:18: warning: variable ‘StrainDerivativeCentral’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:10:32,687 5181 | REAL_MATRIX3x3 StrainDerivativeCentral,StrainDerivativeForward1,StrainDerivativeForward2; 2025-09-09T13:10:32,687 | ^~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:10:32,696 src/numerical.c: In function ‘ComputeCrossTermNumericallyMinimalSet’: 2025-09-09T13:10:32,704 src/numerical.c:6318:7: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:10:32,704 6318 | int type; 2025-09-09T13:10:32,705 | ^~~~ 2025-09-09T13:10:52,343 arm-linux-gnueabihf-gcc -fno-strict-overflow -Wsign-compare -DNDEBUG -g -O2 -Wall -fPIC -Isrc -I/usr/include/python3.13 -c src/output.c -o build/temp.linux-armv7l-cpython-313/src/output.o 2025-09-09T13:10:52,800 src/output.c: In function ‘PrintPreSimulationStatusCurrentSystem’: 2025-09-09T13:10:52,801 src/output.c:222:12: warning: variable ‘len’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:10:52,801 222 | size_t len; 2025-09-09T13:10:52,801 | ^~~ 2025-09-09T13:10:52,801 src/output.c:221:9: warning: unused variable ‘mib’ [-Wunused-variable] 2025-09-09T13:10:52,801 221 | int mib[2]; 2025-09-09T13:10:52,801 | ^~~ 2025-09-09T13:10:52,873 src/output.c: In function ‘ReadRestartOutput’: 2025-09-09T13:10:52,894 src/output.c:8012:65: warning: format ‘%ld’ expects argument of type ‘long int’, but argument 3 has type ‘__off64_t’ {aka ‘long long int’} [-Wformat=] 2025-09-09T13:10:52,894 8012 | fprintf(stderr,"Failed to Reposition output-file at %ld ( beyond file-length %ld)\n",pos.__pos,sz); 2025-09-09T13:10:52,895 | ~~^ ~~~~~~~~~ 2025-09-09T13:10:52,895 | | | 2025-09-09T13:10:52,895 | long int __off64_t {aka long long int} 2025-09-09T13:10:52,895 | %lld 2025-09-09T13:10:52,920 src/output.c:8024:90: warning: format ‘%ld’ expects argument of type ‘long int’, but argument 4 has type ‘__off64_t’ {aka ‘long long int’} [-Wformat=] 2025-09-09T13:10:52,920 8024 | fprintf(stderr,"Succesfully repositioned output-file of size %ld to position %ld\n",sz,pos.__pos); 2025-09-09T13:10:52,920 | ~~^ ~~~~~~~~~ 2025-09-09T13:10:52,920 | | | 2025-09-09T13:10:52,920 | long int __off64_t {aka long long int} 2025-09-09T13:10:52,920 | %lld 2025-09-09T13:10:54,620 src/output.c: In function ‘OpenOutputFile’: 2025-09-09T13:10:54,620 src/output.c:177:7: warning: ‘strncpy’ output may be truncated copying 256 bytes from a string of length 1023 [-Wstringop-truncation] 2025-09-09T13:10:54,620 177 | strncpy(buffer3,buffer,256); 2025-09-09T13:10:54,620 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:11:19,206 src/output.c: In function ‘ReadRestartOutput’: 2025-09-09T13:11:19,218 src/output.c:7971:5: warning: ‘strncpy’ output may be truncated copying 256 bytes from a string of length 1023 [-Wstringop-truncation] 2025-09-09T13:11:19,218 7971 | strncpy(buffer3,buffer,256); 2025-09-09T13:11:19,218 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:11:19,746 arm-linux-gnueabihf-gcc -fno-strict-overflow -Wsign-compare -DNDEBUG -g -O2 -Wall -fPIC -Isrc -I/usr/include/python3.13 -c src/potentials.c -o build/temp.linux-armv7l-cpython-313/src/potentials.o 2025-09-09T13:11:20,091 src/potentials.c: In function ‘ReadForceFieldDefinitions’: 2025-09-09T13:11:20,097 src/potentials.c:4394:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 2025-09-09T13:11:20,097 4394 | if(NumberOfInteractions>0) 2025-09-09T13:11:20,097 | ^~ 2025-09-09T13:11:20,102 src/potentials.c:4395:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 2025-09-09T13:11:20,102 4395 | fscanf(FilePtr,"%*[^\n]");fscanf(FilePtr,"%*c"); //skip line 2025-09-09T13:11:20,102 | ^~~~~~ 2025-09-09T13:11:20,248 src/potentials.c: In function ‘PotentialValue’: 2025-09-09T13:11:20,256 src/potentials.c:5851:46: warning: variable ‘rri16’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:11:20,257 5851 | REAL rri2,rri4,rri6,rri8,rri10,rri12,rri14,rri16; 2025-09-09T13:11:20,257 | ^~~~~ 2025-09-09T13:11:20,306 src/potentials.c: In function ‘PotentialGradient’: 2025-09-09T13:11:20,316 src/potentials.c:7242:51: warning: variable ‘rri16’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:11:20,316 7242 | REAL rri2,rri4,rri5,rri6,rri8,rri10,rri12,rri14,rri16; 2025-09-09T13:11:20,316 | ^~~~~ 2025-09-09T13:11:20,479 src/potentials.c: In function ‘PotentialValueChargeBondDipole’: 2025-09-09T13:11:20,493 src/potentials.c:12481:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:11:20,494 12481 | REAL Bt0,Bt1; 2025-09-09T13:11:20,494 | ^~~ 2025-09-09T13:11:20,499 src/potentials.c: In function ‘PotentialValueBondDipoleBondDipole’: 2025-09-09T13:11:20,515 src/potentials.c:12524:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:11:20,516 12524 | REAL Bt0,Bt1,Bt2; 2025-09-09T13:11:20,516 | ^~~ 2025-09-09T13:11:20,521 src/potentials.c: In function ‘PotentialGradientChargeBondDipole’: 2025-09-09T13:11:20,536 src/potentials.c:12653:10: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:11:20,536 12653 | REAL U,Bt0,Bt1,Bt2; 2025-09-09T13:11:20,536 | ^~~ 2025-09-09T13:11:20,547 src/potentials.c: In function ‘PotentialGradientBondDipoleBondDipole’: 2025-09-09T13:11:20,562 src/potentials.c:12753:10: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:11:20,562 12753 | REAL U,Bt0,Bt1,Bt2,Bt3; 2025-09-09T13:11:20,562 | ^~~ 2025-09-09T13:11:20,567 src/potentials.c: In function ‘PotentialElectricFieldBondDipoleBondDipole’: 2025-09-09T13:11:20,581 src/potentials.c:12977:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:11:20,582 12977 | REAL Bt0,Bt1,Bt2; 2025-09-09T13:11:20,582 | ^~~ 2025-09-09T13:11:20,585 src/potentials.c: In function ‘PotentialGradientInducedDipoleInducedDipole’: 2025-09-09T13:11:20,600 src/potentials.c:13054:10: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:11:20,600 13054 | REAL U,Bt0,Bt1,Bt2,Bt3; 2025-09-09T13:11:20,600 | ^~~ 2025-09-09T13:11:30,862 src/potentials.c: In function ‘ReadForceFieldDefinitionsMixingRules’: 2025-09-09T13:11:30,868 src/potentials.c:3030:47: warning: ‘%s’ directive writing up to 255 bytes into a region of size 232 [-Wformat-overflow=] 2025-09-09T13:11:30,868 3030 | sprintf(buffer,"%s/share/raspa/forcefield/%s/force_field_mixing_rules.def",RASPA_DIRECTORY,ForceField); 2025-09-09T13:11:30,868 | ^~ ~~~~~~~~~~ 2025-09-09T13:11:30,871 src/potentials.c:3030:5: note: ‘sprintf’ output 54 or more bytes (assuming 309) into a destination of size 256 2025-09-09T13:11:30,871 3030 | sprintf(buffer,"%s/share/raspa/forcefield/%s/force_field_mixing_rules.def",RASPA_DIRECTORY,ForceField); 2025-09-09T13:11:30,872 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:11:36,024 src/potentials.c: In function ‘ReadForceFieldDefinitions’: 2025-09-09T13:11:36,033 src/potentials.c:4335:47: warning: ‘%s’ directive writing up to 255 bytes into a region of size 232 [-Wformat-overflow=] 2025-09-09T13:11:36,033 4335 | sprintf(buffer,"%s/share/raspa/forcefield/%s/force_field.def",RASPA_DIRECTORY,ForceField); 2025-09-09T13:11:36,033 | ^~ ~~~~~~~~~~ 2025-09-09T13:11:36,039 src/potentials.c:4335:5: note: ‘sprintf’ output 41 or more bytes (assuming 296) into a destination of size 256 2025-09-09T13:11:36,039 4335 | sprintf(buffer,"%s/share/raspa/forcefield/%s/force_field.def",RASPA_DIRECTORY,ForceField); 2025-09-09T13:11:36,039 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:11:47,203 src/potentials.c: In function ‘WriteTinkerParameterFile’: 2025-09-09T13:11:47,228 src/potentials.c:13148:38: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 230 and 240 [-Wformat-overflow=] 2025-09-09T13:11:47,228 13148 | sprintf(buffer,"Tinker/System_%d/%s.prm",CurrentSystem,ForceField); 2025-09-09T13:11:47,228 | ^~ ~~~~~~~~~~ 2025-09-09T13:11:47,245 src/potentials.c:13148:5: note: ‘sprintf’ output between 21 and 286 bytes into a destination of size 256 2025-09-09T13:11:47,245 13148 | sprintf(buffer,"Tinker/System_%d/%s.prm",CurrentSystem,ForceField); 2025-09-09T13:11:47,245 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:11:47,322 src/potentials.c: In function ‘WriteTinkerKeyFile’: 2025-09-09T13:11:47,347 src/potentials.c:13219:38: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 230 and 240 [-Wformat-overflow=] 2025-09-09T13:11:47,348 13219 | sprintf(buffer,"Tinker/System_%d/%s.key",CurrentSystem,ForceField); 2025-09-09T13:11:47,348 | ^~ ~~~~~~~~~~ 2025-09-09T13:11:47,364 src/potentials.c:13219:5: note: ‘sprintf’ output between 21 and 286 bytes into a destination of size 256 2025-09-09T13:11:47,364 13219 | sprintf(buffer,"Tinker/System_%d/%s.key",CurrentSystem,ForceField); 2025-09-09T13:11:47,365 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:11:48,325 arm-linux-gnueabihf-gcc -fno-strict-overflow -Wsign-compare -DNDEBUG -g -O2 -Wall -fPIC -Isrc -I/usr/include/python3.13 -c src/recrossing.c -o build/temp.linux-armv7l-cpython-313/src/recrossing.o 2025-09-09T13:11:48,519 src/recrossing.c: In function ‘BarrierRecrossing’: 2025-09-09T13:11:48,520 src/recrossing.c:489:39: warning: variable ‘TempEndB’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:11:48,520 489 | REAL TempStartA,TempStartB,TempEndA,TempEndB; 2025-09-09T13:11:48,520 | ^~~~~~~~ 2025-09-09T13:11:48,521 src/recrossing.c:489:30: warning: variable ‘TempEndA’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:11:48,521 489 | REAL TempStartA,TempStartB,TempEndA,TempEndB; 2025-09-09T13:11:48,521 | ^~~~~~~~ 2025-09-09T13:11:48,521 src/recrossing.c:489:19: warning: variable ‘TempStartB’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:11:48,522 489 | REAL TempStartA,TempStartB,TempEndA,TempEndB; 2025-09-09T13:11:48,522 | ^~~~~~~~~~ 2025-09-09T13:11:48,522 src/recrossing.c:489:8: warning: variable ‘TempStartA’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:11:48,522 489 | REAL TempStartA,TempStartB,TempEndA,TempEndB; 2025-09-09T13:11:48,522 | ^~~~~~~~~~ 2025-09-09T13:11:49,512 src/recrossing.c:671:11: warning: ‘DistanceAToPlaneXYZ’ may be used uninitialized [-Wmaybe-uninitialized] 2025-09-09T13:11:49,512 671 | fprintf(OutputFilePtr[CurrentSystem],"Energy Conservation trajectory A: %lf %lf drift: %lf distance to plane: %lf\n", 2025-09-09T13:11:49,512 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:11:49,512 672 | (double)U0,(double)ConservedEnergy[CurrentSystem],(double)(drift/(REAL)iterations[CurrentSystem]),(double)DistanceAToPlaneXYZ); 2025-09-09T13:11:49,512 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:11:49,513 src/recrossing.c:483:8: note: ‘DistanceAToPlaneXYZ’ was declared here 2025-09-09T13:11:49,513 483 | REAL DistanceAToPlaneXYZ,DistanceBToPlaneXYZ; 2025-09-09T13:11:49,513 | ^~~~~~~~~~~~~~~~~~~ 2025-09-09T13:11:49,514 src/recrossing.c:722:11: warning: ‘DistanceBToPlaneXYZ’ may be used uninitialized [-Wmaybe-uninitialized] 2025-09-09T13:11:49,514 722 | fprintf(OutputFilePtr[CurrentSystem],"Energy Conservation trajectory B: %lf %lf drift: %lf distance to plane: %lf\n", 2025-09-09T13:11:49,514 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:11:49,514 723 | (double)U0,(double)ConservedEnergy[CurrentSystem],(double)(drift/(REAL)iterations[CurrentSystem]),(double)DistanceBToPlaneXYZ); 2025-09-09T13:11:49,514 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:11:49,515 src/recrossing.c:483:28: note: ‘DistanceBToPlaneXYZ’ was declared here 2025-09-09T13:11:49,515 483 | REAL DistanceAToPlaneXYZ,DistanceBToPlaneXYZ; 2025-09-09T13:11:49,515 | ^~~~~~~~~~~~~~~~~~~ 2025-09-09T13:11:50,016 arm-linux-gnueabihf-gcc -fno-strict-overflow -Wsign-compare -DNDEBUG -g -O2 -Wall -fPIC -Isrc -I/usr/include/python3.13 -c src/rigid.c -o build/temp.linux-armv7l-cpython-313/src/rigid.o 2025-09-09T13:11:50,225 src/rigid.c: In function ‘TotalAngularMomentum’: 2025-09-09T13:11:50,226 src/rigid.c:1201:7: warning: variable ‘Type’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:11:50,227 1201 | int Type; 2025-09-09T13:11:50,227 | ^~~~ 2025-09-09T13:11:50,277 src/rigid.c: In function ‘ReturnWilsonVectorsInversionBendRATTLE’: 2025-09-09T13:11:50,280 src/rigid.c:2829:8: warning: variable ‘ThetaD’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:11:50,280 2829 | REAL ThetaD,SinThetaD,CosThetaD,ChiD,CosChiD,SinChiD,TanChiD; 2025-09-09T13:11:50,280 | ^~~~~~ 2025-09-09T13:11:50,283 src/rigid.c:2828:8: warning: variable ‘ThetaC’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:11:50,283 2828 | REAL ThetaC,SinThetaC,CosThetaC,ChiC,CosChiC,SinChiC,TanChiC; 2025-09-09T13:11:50,283 | ^~~~~~ 2025-09-09T13:11:50,286 src/rigid.c:2827:8: warning: variable ‘ThetaA’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:11:50,286 2827 | REAL ThetaA,SinThetaA,CosThetaA,ChiA,CosChiA,SinChiA,TanChiA; 2025-09-09T13:11:50,286 | ^~~~~~ 2025-09-09T13:11:50,388 src/rigid.c: In function ‘RattleStageTwo’: 2025-09-09T13:11:50,394 src/rigid.c:5387:8: warning: variable ‘ConstraintValue’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:11:50,394 5387 | REAL ConstraintValue; 2025-09-09T13:11:50,394 | ^~~~~~~~~~~~~~~ 2025-09-09T13:12:05,428 arm-linux-gnueabihf-gcc -fno-strict-overflow -Wsign-compare -DNDEBUG -g -O2 -Wall -fPIC -Isrc -I/usr/include/python3.13 -c src/run.c -o build/temp.linux-armv7l-cpython-313/src/run.o 2025-09-09T13:12:05,902 arm-linux-gnueabihf-gcc -fno-strict-overflow -Wsign-compare -DNDEBUG -g -O2 -Wall -fPIC -Isrc -I/usr/include/python3.13 -c src/sample.c -o build/temp.linux-armv7l-cpython-313/src/sample.o 2025-09-09T13:12:06,169 src/sample.c: In function ‘SamplePositionHistogram’: 2025-09-09T13:12:06,171 src/sample.c:1304:21: warning: variable ‘drift’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:12:06,171 1304 | VECTOR pos,s,fcom,drift; 2025-09-09T13:12:06,171 | ^~~~~ 2025-09-09T13:12:06,207 src/sample.c: In function ‘SampleFreeEnergyProfile’: 2025-09-09T13:12:06,210 src/sample.c:2600:14: warning: variable ‘drift’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:12:06,210 2600 | VECTOR A,C,drift,fcom; 2025-09-09T13:12:06,210 | ^~~~~ 2025-09-09T13:12:06,213 src/sample.c:2599:14: warning: variable ‘IdealGasRosenBluth’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:12:06,213 2599 | REAL value,IdealGasRosenBluth,error; 2025-09-09T13:12:06,213 | ^~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:06,564 src/sample.c: In function ‘SampleRotationalVelocityAutoCorrelationFunctionOrderN’: 2025-09-09T13:12:06,574 src/sample.c:7728:16: warning: variable ‘drift’ set but not used [-Wunused-but-set-variable] 2025-09-09T13:12:06,574 7728 | VECTOR value,drift; 2025-09-09T13:12:06,574 | ^~~~~ 2025-09-09T13:12:06,736 src/sample.c: In function ‘SampleCOMDensityProfile3DVTKGrid’: 2025-09-09T13:12:06,748 src/sample.c:9793:11: warning: this ‘for’ clause does not guard... [-Wmisleading-indentation] 2025-09-09T13:12:06,748 9793 | for(y=0;y=NumberOfSitesMSDOrderN[CurrentSystem]) 2025-09-09T13:12:25,287 | ^ 2025-09-09T13:12:25,294 src/sample.c:6214:7: note: ‘site_type’ was declared here 2025-09-09T13:12:25,295 6214 | int site_type; 2025-09-09T13:12:25,295 | ^~~~~~~~~ 2025-09-09T13:12:27,181 src/sample.c: In function ‘SampleVelocityAutoCorrelationFunctionOrderN’: 2025-09-09T13:12:27,194 src/sample.c:7311:59: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 211 and 221 [-Wformat-overflow=] 2025-09-09T13:12:27,194 7311 | sprintf(buffer,"VACFOrderN/System_%d/vacf_self_total%s.dat",CurrentSystem,FileNameAppend); 2025-09-09T13:12:27,194 | ^~ ~~~~~~~~~~~~~~ 2025-09-09T13:12:27,203 src/sample.c:7311:7: note: ‘sprintf’ output between 40 and 305 bytes into a destination of size 256 2025-09-09T13:12:27,203 7311 | sprintf(buffer,"VACFOrderN/System_%d/vacf_self_total%s.dat",CurrentSystem,FileNameAppend); 2025-09-09T13:12:27,203 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:27,213 src/sample.c:7360:56: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 216 and 226 [-Wformat-overflow=] 2025-09-09T13:12:27,213 7360 | sprintf(buffer,"VACFOrderN/System_%d/vacf_self_%s_%d%s.dat", 2025-09-09T13:12:27,213 | ^~ 2025-09-09T13:12:27,222 src/sample.c:7360:24: note: directive argument in the range [-2147483641, 2147483646] 2025-09-09T13:12:27,223 7360 | sprintf(buffer,"VACFOrderN/System_%d/vacf_self_%s_%d%s.dat", 2025-09-09T13:12:27,223 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:27,231 src/sample.c:7360:9: note: ‘sprintf’ output between 37 and 567 bytes into a destination of size 256 2025-09-09T13:12:27,231 7360 | sprintf(buffer,"VACFOrderN/System_%d/vacf_self_%s_%d%s.dat", 2025-09-09T13:12:27,231 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:27,231 7361 | CurrentSystem,Components[i].Name,i,FileNameAppend); 2025-09-09T13:12:27,231 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:27,245 src/sample.c:7419:86: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 179 and 199 [-Wformat-overflow=] 2025-09-09T13:12:27,245 7419 | sprintf(buffer,"VACFOrderN/System_%d/VACFOrderN_per_adsorbate/vacf_self_%d_%s.dat", 2025-09-09T13:12:27,245 | ^~ 2025-09-09T13:12:27,245 7420 | CurrentSystem,i,FileNameAppend); 2025-09-09T13:12:27,245 | ~~~~~~~~~~~~~~ 2025-09-09T13:12:27,253 src/sample.c:7419:11: note: ‘sprintf’ output between 62 and 337 bytes into a destination of size 256 2025-09-09T13:12:27,253 7419 | sprintf(buffer,"VACFOrderN/System_%d/VACFOrderN_per_adsorbate/vacf_self_%d_%s.dat", 2025-09-09T13:12:27,253 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:27,254 7420 | CurrentSystem,i,FileNameAppend); 2025-09-09T13:12:27,254 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:27,267 src/sample.c:7475:82: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 183 and 203 [-Wformat-overflow=] 2025-09-09T13:12:27,267 7475 | sprintf(buffer,"VACFOrderN/System_%d/VACFOrderN_per_cation/vacf_self_%d%s.dat", 2025-09-09T13:12:27,267 | ^~ 2025-09-09T13:12:27,267 7476 | CurrentSystem,i,FileNameAppend); 2025-09-09T13:12:27,267 | ~~~~~~~~~~~~~~ 2025-09-09T13:12:27,276 src/sample.c:7475:11: note: ‘sprintf’ output between 58 and 333 bytes into a destination of size 256 2025-09-09T13:12:27,276 7475 | sprintf(buffer,"VACFOrderN/System_%d/VACFOrderN_per_cation/vacf_self_%d%s.dat", 2025-09-09T13:12:27,276 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:27,276 7476 | CurrentSystem,i,FileNameAppend); 2025-09-09T13:12:27,276 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:27,290 src/sample.c:7529:62: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 208 and 218 [-Wformat-overflow=] 2025-09-09T13:12:27,290 7529 | sprintf(buffer,"VACFOrderN/System_%d/vacf_onsager_total%s.dat",CurrentSystem,FileNameAppend); 2025-09-09T13:12:27,290 | ^~ ~~~~~~~~~~~~~~ 2025-09-09T13:12:27,299 src/sample.c:7529:7: note: ‘sprintf’ output between 43 and 308 bytes into a destination of size 256 2025-09-09T13:12:27,300 7529 | sprintf(buffer,"VACFOrderN/System_%d/vacf_onsager_total%s.dat",CurrentSystem,FileNameAppend); 2025-09-09T13:12:27,300 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:27,309 src/sample.c:7566:61: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 213 and 223 [-Wformat-overflow=] 2025-09-09T13:12:27,309 7566 | sprintf(buffer,"VACFOrderN/System_%d/vacf_onsager_%s_%d_%s_%d%s.dat", 2025-09-09T13:12:27,309 | ^~ 2025-09-09T13:12:27,319 src/sample.c:7566:26: note: directive argument in the range [-2147483641, 2147483646] 2025-09-09T13:12:27,319 7566 | sprintf(buffer,"VACFOrderN/System_%d/vacf_onsager_%s_%d_%s_%d%s.dat", 2025-09-09T13:12:27,320 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:27,321 src/sample.c:7566:26: note: directive argument in the range [-2147483641, 2147483646] 2025-09-09T13:12:27,329 src/sample.c:7566:11: note: ‘sprintf’ output between 43 and 838 bytes into a destination of size 256 2025-09-09T13:12:27,329 7566 | sprintf(buffer,"VACFOrderN/System_%d/vacf_onsager_%s_%d_%s_%d%s.dat", 2025-09-09T13:12:27,330 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:27,330 7567 | CurrentSystem,Components[j].Name,j,Components[k].Name,k,FileNameAppend); 2025-09-09T13:12:27,330 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:29,082 src/sample.c: In function ‘SampleRotationalVelocityAutoCorrelationFunctionOrderN’: 2025-09-09T13:12:29,097 src/sample.c:8003:60: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 210 and 220 [-Wformat-overflow=] 2025-09-09T13:12:29,097 8003 | sprintf(buffer,"RVACFOrderN/System_%d/vacf_self_total%s.dat",CurrentSystem,FileNameAppend); 2025-09-09T13:12:29,097 | ^~ ~~~~~~~~~~~~~~ 2025-09-09T13:12:29,107 src/sample.c:8003:7: note: ‘sprintf’ output between 41 and 306 bytes into a destination of size 256 2025-09-09T13:12:29,107 8003 | sprintf(buffer,"RVACFOrderN/System_%d/vacf_self_total%s.dat",CurrentSystem,FileNameAppend); 2025-09-09T13:12:29,107 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:29,117 src/sample.c:8052:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 215 and 225 [-Wformat-overflow=] 2025-09-09T13:12:29,117 8052 | sprintf(buffer,"RVACFOrderN/System_%d/vacf_self_%s_%d%s.dat", 2025-09-09T13:12:29,117 | ^~ 2025-09-09T13:12:29,128 src/sample.c:8052:24: note: directive argument in the range [-2147483641, 2147483646] 2025-09-09T13:12:29,128 8052 | sprintf(buffer,"RVACFOrderN/System_%d/vacf_self_%s_%d%s.dat", 2025-09-09T13:12:29,128 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:29,137 src/sample.c:8052:9: note: ‘sprintf’ output between 38 and 568 bytes into a destination of size 256 2025-09-09T13:12:29,137 8052 | sprintf(buffer,"RVACFOrderN/System_%d/vacf_self_%s_%d%s.dat", 2025-09-09T13:12:29,137 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:29,138 8053 | CurrentSystem,Components[i].Name,i,FileNameAppend); 2025-09-09T13:12:29,138 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:29,152 src/sample.c:8112:87: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 178 and 198 [-Wformat-overflow=] 2025-09-09T13:12:29,152 8112 | sprintf(buffer,"RVACFOrderN/System_%d/RVACFOrderN_per_adsorbate/vacf_self_%d%s.dat", 2025-09-09T13:12:29,152 | ^~ 2025-09-09T13:12:29,152 8113 | CurrentSystem,i,FileNameAppend); 2025-09-09T13:12:29,153 | ~~~~~~~~~~~~~~ 2025-09-09T13:12:29,162 src/sample.c:8112:11: note: ‘sprintf’ output between 63 and 338 bytes into a destination of size 256 2025-09-09T13:12:29,162 8112 | sprintf(buffer,"RVACFOrderN/System_%d/RVACFOrderN_per_adsorbate/vacf_self_%d%s.dat", 2025-09-09T13:12:29,162 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:29,162 8113 | CurrentSystem,i,FileNameAppend); 2025-09-09T13:12:29,162 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:29,177 src/sample.c:8168:84: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 181 and 201 [-Wformat-overflow=] 2025-09-09T13:12:29,177 8168 | sprintf(buffer,"RVACFOrderN/System_%d/RVACFOrderN_per_cation/vacf_self_%d%s.dat", 2025-09-09T13:12:29,177 | ^~ 2025-09-09T13:12:29,177 8169 | CurrentSystem,i,FileNameAppend); 2025-09-09T13:12:29,177 | ~~~~~~~~~~~~~~ 2025-09-09T13:12:29,186 src/sample.c:8168:11: note: ‘sprintf’ output between 60 and 335 bytes into a destination of size 256 2025-09-09T13:12:29,186 8168 | sprintf(buffer,"RVACFOrderN/System_%d/RVACFOrderN_per_cation/vacf_self_%d%s.dat", 2025-09-09T13:12:29,186 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:29,186 8169 | CurrentSystem,i,FileNameAppend); 2025-09-09T13:12:29,186 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:29,202 src/sample.c:8222:63: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 207 and 217 [-Wformat-overflow=] 2025-09-09T13:12:29,203 8222 | sprintf(buffer,"RVACFOrderN/System_%d/vacf_onsager_total%s.dat",CurrentSystem,FileNameAppend); 2025-09-09T13:12:29,203 | ^~ ~~~~~~~~~~~~~~ 2025-09-09T13:12:29,213 src/sample.c:8222:7: note: ‘sprintf’ output between 44 and 309 bytes into a destination of size 256 2025-09-09T13:12:29,213 8222 | sprintf(buffer,"RVACFOrderN/System_%d/vacf_onsager_total%s.dat",CurrentSystem,FileNameAppend); 2025-09-09T13:12:29,213 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:29,224 src/sample.c:8259:62: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 212 and 222 [-Wformat-overflow=] 2025-09-09T13:12:29,224 8259 | sprintf(buffer,"RVACFOrderN/System_%d/vacf_onsager_%s_%d_%s_%d%s.dat", 2025-09-09T13:12:29,224 | ^~ 2025-09-09T13:12:29,235 src/sample.c:8259:26: note: directive argument in the range [-2147483641, 2147483646] 2025-09-09T13:12:29,235 8259 | sprintf(buffer,"RVACFOrderN/System_%d/vacf_onsager_%s_%d_%s_%d%s.dat", 2025-09-09T13:12:29,235 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:29,236 src/sample.c:8259:26: note: directive argument in the range [-2147483641, 2147483646] 2025-09-09T13:12:29,246 src/sample.c:8259:11: note: ‘sprintf’ output between 44 and 839 bytes into a destination of size 256 2025-09-09T13:12:29,246 8259 | sprintf(buffer,"RVACFOrderN/System_%d/vacf_onsager_%s_%d_%s_%d%s.dat", 2025-09-09T13:12:29,246 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:29,246 8260 | CurrentSystem,Components[j].Name,j,Components[k].Name,k,FileNameAppend); 2025-09-09T13:12:29,247 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:30,639 src/sample.c: In function ‘SampleMolecularOrientationAutoCorrelationFunctionOrderN’: 2025-09-09T13:12:30,655 src/sample.c:8625:92: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 178 and 188 [-Wformat-overflow=] 2025-09-09T13:12:30,655 8625 | sprintf(buffer,"MolecularOrientationOrderN/System_%d/molecular_orientation_self_total%s.dat",CurrentSystem,FileNameAppend); 2025-09-09T13:12:30,656 | ^~ ~~~~~~~~~~~~~~ 2025-09-09T13:12:30,666 src/sample.c:8625:7: note: ‘sprintf’ output between 73 and 338 bytes into a destination of size 256 2025-09-09T13:12:30,666 8625 | sprintf(buffer,"MolecularOrientationOrderN/System_%d/molecular_orientation_self_total%s.dat",CurrentSystem,FileNameAppend); 2025-09-09T13:12:30,666 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:31,106 src/sample.c: In function ‘SampleBondOrientationAutoCorrelationFunctionOrderN’: 2025-09-09T13:12:31,123 src/sample.c:8912:95: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 161 and 191 [-Wformat-overflow=] 2025-09-09T13:12:31,123 8912 | sprintf(buffer,"BondOrientationOrderN/System_%d/Framework_%d/Orientation_histogram%d%s.dat",CurrentSystem,f1,i,FileNameAppend); 2025-09-09T13:12:31,123 | ^~ ~~~~~~~~~~~~~~ 2025-09-09T13:12:31,134 src/sample.c:8912:11: note: ‘sprintf’ output between 70 and 355 bytes into a destination of size 256 2025-09-09T13:12:31,134 8912 | sprintf(buffer,"BondOrientationOrderN/System_%d/Framework_%d/Orientation_histogram%d%s.dat",CurrentSystem,f1,i,FileNameAppend); 2025-09-09T13:12:31,134 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:31,151 src/sample.c:8928:102: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 154 and 184 [-Wformat-overflow=] 2025-09-09T13:12:31,151 8928 | sprintf(buffer,"BondOrientationOrderN/System_%d/Framework_%d/Orientation_correlation_type%d%s.dat",CurrentSystem,f1,i,FileNameAppend); 2025-09-09T13:12:31,151 | ^~ ~~~~~~~~~~~~~~ 2025-09-09T13:12:31,162 src/sample.c:8928:11: note: ‘sprintf’ output between 77 and 362 bytes into a destination of size 256 2025-09-09T13:12:31,162 8928 | sprintf(buffer,"BondOrientationOrderN/System_%d/Framework_%d/Orientation_correlation_type%d%s.dat",CurrentSystem,f1,i,FileNameAppend); 2025-09-09T13:12:31,162 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:31,789 src/sample.c: In function ‘SampleMeanSquaredDisplacement’: 2025-09-09T13:12:31,800 src/sample.c:9210:48: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 224 and 234 [-Wformat-overflow=] 2025-09-09T13:12:31,800 9210 | sprintf(buffer,"MSD/System_%d/msd_self_%s_%d%s.dat", 2025-09-09T13:12:31,800 | ^~ 2025-09-09T13:12:31,812 src/sample.c:9210:24: note: directive argument in the range [-2147483641, 2147483646] 2025-09-09T13:12:31,812 9210 | sprintf(buffer,"MSD/System_%d/msd_self_%s_%d%s.dat", 2025-09-09T13:12:31,812 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:31,822 src/sample.c:9210:9: note: ‘sprintf’ output between 29 and 559 bytes into a destination of size 256 2025-09-09T13:12:31,822 9210 | sprintf(buffer,"MSD/System_%d/msd_self_%s_%d%s.dat", 2025-09-09T13:12:31,823 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:31,823 9211 | CurrentSystem, 2025-09-09T13:12:31,823 | ~~~~~~~~~~~~~~ 2025-09-09T13:12:31,823 9212 | Components[k].Name, 2025-09-09T13:12:31,823 | ~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:31,823 9213 | k, 2025-09-09T13:12:31,823 | ~~ 2025-09-09T13:12:31,823 9214 | FileNameAppend); 2025-09-09T13:12:31,823 | ~~~~~~~~~~~~~~~ 2025-09-09T13:12:31,835 src/sample.c:9237:53: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 221 and 231 [-Wformat-overflow=] 2025-09-09T13:12:31,835 9237 | sprintf(buffer,"MSD/System_%d/msd_onsager_%s_%d_%s_%d%s.dat", 2025-09-09T13:12:31,835 | ^~ 2025-09-09T13:12:31,847 src/sample.c:9237:26: note: directive argument in the range [-2147483641, 2147483646] 2025-09-09T13:12:31,847 9237 | sprintf(buffer,"MSD/System_%d/msd_onsager_%s_%d_%s_%d%s.dat", 2025-09-09T13:12:31,847 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:31,849 src/sample.c:9237:26: note: directive argument in the range [-2147483641, 2147483646] 2025-09-09T13:12:31,859 src/sample.c:9237:11: note: ‘sprintf’ output between 35 and 830 bytes into a destination of size 256 2025-09-09T13:12:31,859 9237 | sprintf(buffer,"MSD/System_%d/msd_onsager_%s_%d_%s_%d%s.dat", 2025-09-09T13:12:31,859 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:31,859 9238 | CurrentSystem,Components[k].Name,k,Components[l].Name,l,FileNameAppend); 2025-09-09T13:12:31,859 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:32,576 src/sample.c: In function ‘SampleVelocityAutoCorrelationFunction’: 2025-09-09T13:12:32,588 src/sample.c:9471:50: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 222 and 232 [-Wformat-overflow=] 2025-09-09T13:12:32,588 9471 | sprintf(buffer,"VACF/System_%d/vacf_self_%s_%d%s.dat", 2025-09-09T13:12:32,588 | ^~ 2025-09-09T13:12:32,600 src/sample.c:9471:24: note: directive argument in the range [-2147483641, 2147483646] 2025-09-09T13:12:32,600 9471 | sprintf(buffer,"VACF/System_%d/vacf_self_%s_%d%s.dat", 2025-09-09T13:12:32,600 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:32,611 src/sample.c:9471:9: note: ‘sprintf’ output between 31 and 561 bytes into a destination of size 256 2025-09-09T13:12:32,611 9471 | sprintf(buffer,"VACF/System_%d/vacf_self_%s_%d%s.dat", 2025-09-09T13:12:32,611 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:32,611 9472 | CurrentSystem, 2025-09-09T13:12:32,611 | ~~~~~~~~~~~~~~ 2025-09-09T13:12:32,611 9473 | Components[k].Name, 2025-09-09T13:12:32,611 | ~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:32,611 9474 | k, 2025-09-09T13:12:32,611 | ~~ 2025-09-09T13:12:32,611 9475 | FileNameAppend); 2025-09-09T13:12:32,611 | ~~~~~~~~~~~~~~~ 2025-09-09T13:12:32,624 src/sample.c:9510:55: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 219 and 229 [-Wformat-overflow=] 2025-09-09T13:12:32,624 9510 | sprintf(buffer,"VACF/System_%d/vacf_onsager_%s_%d_%s_%d%s.dat", 2025-09-09T13:12:32,624 | ^~ 2025-09-09T13:12:32,636 src/sample.c:9510:26: note: directive argument in the range [-2147483641, 2147483646] 2025-09-09T13:12:32,636 9510 | sprintf(buffer,"VACF/System_%d/vacf_onsager_%s_%d_%s_%d%s.dat", 2025-09-09T13:12:32,636 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:32,638 src/sample.c:9510:26: note: directive argument in the range [-2147483641, 2147483646] 2025-09-09T13:12:32,648 src/sample.c:9510:11: note: ‘sprintf’ output between 37 and 832 bytes into a destination of size 256 2025-09-09T13:12:32,649 9510 | sprintf(buffer,"VACF/System_%d/vacf_onsager_%s_%d_%s_%d%s.dat", 2025-09-09T13:12:32,649 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:32,649 9511 | CurrentSystem,Components[k].Name,k,Components[l].Name,l,FileNameAppend); 2025-09-09T13:12:32,649 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:33,325 src/sample.c: In function ‘SampleCOMDensityProfile3DVTKGrid’: 2025-09-09T13:12:33,337 src/sample.c:9763:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 215 and 225 [-Wformat-overflow=] 2025-09-09T13:12:33,338 9763 | sprintf(buffer,"VTK/System_%d/COMDensityProfile_%s%s.vtk",CurrentSystem,Components[i].Name,FileNameAppend); 2025-09-09T13:12:33,338 | ^~ 2025-09-09T13:12:33,350 src/sample.c:9763:9: note: ‘sprintf’ output between 36 and 556 bytes into a destination of size 256 2025-09-09T13:12:33,350 9763 | sprintf(buffer,"VTK/System_%d/COMDensityProfile_%s%s.vtk",CurrentSystem,Components[i].Name,FileNameAppend); 2025-09-09T13:12:33,350 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:33,933 src/sample.c: In function ‘SampleDensityProfile3DVTKGrid’: 2025-09-09T13:12:33,947 src/sample.c:10072:54: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 218 and 228 [-Wformat-overflow=] 2025-09-09T13:12:33,947 10072 | sprintf(buffer,"VTK/System_%d/DensityProfile_%s%s.vtk",CurrentSystem,Components[i].Name,FileNameAppend); 2025-09-09T13:12:33,947 | ^~ 2025-09-09T13:12:33,959 src/sample.c:10072:9: note: ‘sprintf’ output between 33 and 553 bytes into a destination of size 256 2025-09-09T13:12:33,960 10072 | sprintf(buffer,"VTK/System_%d/DensityProfile_%s%s.vtk",CurrentSystem,Components[i].Name,FileNameAppend); 2025-09-09T13:12:33,960 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2025-09-09T13:12:41,684 arm-linux-gnueabihf-gcc -fno-strict-overflow -Wsign-compare -DNDEBUG -g -O2 -Wall -fPIC -Isrc -I/usr/include/python3.13 -c src/scattering_factors.c -o build/temp.linux-armv7l-cpython-313/src/scattering_factors.o 2025-09-09T13:12:42,258 arm-linux-gnueabihf-gcc -fno-strict-overflow -Wsign-compare -DNDEBUG -g -O2 -Wall -fPIC -Isrc -I/usr/include/python3.13 -c src/simulation.c -o build/temp.linux-armv7l-cpython-313/src/simulation.o 2025-09-09T13:12:42,433 src/simulation.c: In function ‘InitializeReplicaBox’: 2025-09-09T13:12:42,433 src/simulation.c:764:7: warning: this ‘for’ clause does not guard... [-Wmisleading-indentation] 2025-09-09T13:12:42,433 764 | for(j=0;j build/bdist.linux-armv7l/wheel/./RASPA2/simulations/lib 2025-09-09T13:16:46,133 creating build/bdist.linux-armv7l/wheel/RASPA2/share 2025-09-09T13:16:46,134 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa 2025-09-09T13:16:46,134 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures 2025-09-09T13:16:46,135 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/ions 2025-09-09T13:16:46,135 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/ions/IRMOF-1-Ar.ions -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/ions 2025-09-09T13:16:46,136 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,137 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/quartz.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,138 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/graphite_ortho.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,138 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/graphite.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,139 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/graphite-square-channel-9.94A.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,140 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/graphite-square-channel-8.52A.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,141 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/graphite-square-channel-19.88A.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,143 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/graphite-square-channel-18.46A.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,145 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/graphite-square-channel-17.04A.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,146 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/graphite-square-channel-15.62A.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,148 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/graphite-square-channel-14.2A.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,149 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/graphite-square-channel-12.78A.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,151 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/graphite-square-channel-11.36A.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,152 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/graphite-sheet-9.94A.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,153 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/graphite-sheet-9.5A.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,154 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/graphite-sheet-9.0A.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,155 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/graphite-sheet-8.52A.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,156 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/graphite-sheet-19.88A.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,157 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/graphite-sheet-18.46A.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,158 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/graphite-sheet-17.04A.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,159 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/graphite-sheet-15.62A.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,160 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/graphite-sheet-15.0A.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,161 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/graphite-sheet-14.2A.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,162 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/graphite-sheet-13.75A.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,163 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/graphite-sheet-13.25A.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,164 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/graphite-sheet-12.78A.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,164 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/graphite-sheet-12.0A.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,165 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/graphite-sheet-11.36A.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,166 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/graphite-sheet-11.0A.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,167 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/graphite-sheet-10.65A.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,168 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/graphite-sheet-10.25A.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,169 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/coesite.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,169 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/alpha-quartz.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,170 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/Zr-TPDC.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,171 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ZnMOF-74.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,171 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ZnMOF-74-VASP.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,172 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ZnHBDC.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,173 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ZnBDCdabco.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,173 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ZnBDC.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,174 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/Zn-DOBDC.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,174 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ZIF-97.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,175 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ZIF-96.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,175 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ZIF-93.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,176 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ZIF-90.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,176 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ZIF-9.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,177 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ZIF-80.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,178 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ZIF-8.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,178 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ZIF-77.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,179 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ZIF-71.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,179 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ZIF-7.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,180 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ZIF-69.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,181 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ZIF-69-crystal.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,181 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ZIF-68.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,182 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ZIF-6.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,183 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ZIF-5.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,183 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ZIF-4.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,184 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ZIF-3.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,184 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ZIF-20.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,186 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ZIF-2.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,186 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ZIF-12.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,187 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ZIF-11.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,188 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ZIF-10.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,189 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ZIF-1.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,190 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/VFI.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,190 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/UMCM-1.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,191 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/UIO-66.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,192 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/TON.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,192 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/SWNT-4-14.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,193 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/SWNT-3-9.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,193 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/SWNT-3-20.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,194 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/SWNT-3-11.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,195 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/SWNT-11-18.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,196 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/SWNT-10-13.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,197 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/SWNT-10-11.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,198 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/SWNT-1-23.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,199 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/SWNT-1-14.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,200 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/STF.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,201 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/SOD.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,201 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/SFF.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,202 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/SAPO-56.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,202 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/SAPO-47.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,203 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/RHO.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,203 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/PCN-68.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,204 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/PCN-68-primitive.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,205 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/PCN-61.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,205 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/PCN-60.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,206 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/PAU.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,206 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/OFF.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,207 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/Ni-DOBDC.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,207 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/NaX.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,208 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/NU-108-Zn.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,209 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/NU-108-Cu.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,209 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/NU-108-Cu-primitive.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,210 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/NU-100SP.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,212 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/NU-100SP-primitive.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,213 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MgMOF-74.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,214 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MgMOF-74-extended-VASP.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,214 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MgMOF-74-VASP.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,215 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/Mg-DOBDC.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,216 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MTW_SI.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,217 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MOR_SI.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,217 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MOF-72.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,218 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MOF-70.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,219 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MOF-69c.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,220 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MOF-210.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,220 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MOF-210-primitive.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,221 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MOF-205.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,222 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MOF-200.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,223 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MOF-177_ortho.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,224 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MOF-177.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,225 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MOF-1-Dybtsev-dmol.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,226 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MIL-88D-open.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,227 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MIL-88D-dry.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,228 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MIL-88C-open.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,228 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MIL-88C-dry.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,229 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MIL-88B-open.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,230 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MIL-88B-dry.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,230 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MIL-88A-open.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,231 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MIL-88A-dry.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,232 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MIL-53(Cr)lt.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,232 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MIL-53(Cr)ht.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,233 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MIL-47.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,234 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MIL-140D-DFT.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,234 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MIL-140C-DFT.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,235 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MIL-140B-DFT.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,235 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MIL-140A-DFT.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,236 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MIL-101.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,240 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MIL-101-primitive.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,241 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MIL-100.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,245 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MIL-100-primitive.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,246 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MFS.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,246 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MFI_para.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,247 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MFI_SI_mono.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,248 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MFI_SI_Olson.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,248 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MFI_SI.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,249 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MEL.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,249 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MEI.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,250 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MAZ.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,251 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/MAF-X8.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,251 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/LTL_SI.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,252 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/LTA_SI.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,252 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/LTA5A.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,253 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/LTA4A.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,253 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/LEV.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,254 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/LAU.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,255 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/KFI.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,255 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ITQ-7.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,256 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ITQ-3.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,256 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ITQ-29.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,257 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ITQ-29-2x2x2.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,258 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ITQ-12.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,258 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ITQ-1.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,259 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ISV.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,260 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/IRMOF-9.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,260 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/IRMOF-8.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,261 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/IRMOF-7.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,262 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/IRMOF-6.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,262 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/IRMOF-5.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,263 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/IRMOF-4.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,264 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/IRMOF-3.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,265 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/IRMOF-2.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,265 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/IRMOF-16.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,266 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/IRMOF-15.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,267 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/IRMOF-14.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,267 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/IRMOF-13.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,268 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/IRMOF-12.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,269 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/IRMOF-11.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,270 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/IRMOF-10.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,270 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/IRMOF-1.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,271 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/IRMOF-1-Ar.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,271 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/GME.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,272 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/FER.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,273 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/FAU_SI.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,273 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ERI_SI.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,274 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/EMT.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,274 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/DON.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,275 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/DDR.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,275 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/Cu-BTC.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,276 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/CoBDP.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,277 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/CoBDP-Dubbeldam.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,277 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/Co-DOBDC.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,278 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/Co(2,6-NDP).cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,278 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/Cd3BTB2.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,279 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/CON.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,279 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/COF-5.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,280 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/COF-300.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,281 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/COF-202.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,281 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/COF-108.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,282 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/COF-105.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,282 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/COF-103.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,283 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/COF-102.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,283 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/COF-1.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,284 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/CHA_SI_mono.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,284 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/CHA_SI.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,285 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/CFI.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,285 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/CAN-12.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,286 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/BOG_SI.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,287 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/BEA.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,287 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/AlPO-5.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,288 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/AlPO-17.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,288 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/ATS.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,288 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/AFX_SI.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,289 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/AFI_SI.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,289 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/cif/AEL.cif -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/cif 2025-09-09T13:16:46,290 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2025-09-09T13:16:46,290 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block/test.block -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/block 2025-09-09T13:16:46,290 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block/TON.block -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/block 2025-09-09T13:16:46,291 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block/MTW.block -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/block 2025-09-09T13:16:46,291 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block/MOR_SI.block -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/block 2025-09-09T13:16:46,292 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block/MFI_mono.block -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/block 2025-09-09T13:16:46,292 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block/MFI_SI.block -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/block 2025-09-09T13:16:46,292 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block/MFI_Olson.block -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/block 2025-09-09T13:16:46,293 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block/LTL_SI.block -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/block 2025-09-09T13:16:46,293 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block/LTA_SI.block -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/block 2025-09-09T13:16:46,293 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block/ITQ-3.block -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/block 2025-09-09T13:16:46,294 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block/ITQ-29.block -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/block 2025-09-09T13:16:46,294 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block/ITQ-29-2x2x2.block -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/block 2025-09-09T13:16:46,295 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block/ITQ-12.block -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/block 2025-09-09T13:16:46,295 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block/GME.block -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/block 2025-09-09T13:16:46,296 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block/FER.block -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/block 2025-09-09T13:16:46,296 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block/FAU.block -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/block 2025-09-09T13:16:46,297 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block/ERI_SI.block -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/block 2025-09-09T13:16:46,297 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block/DDR_ortho.block -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/block 2025-09-09T13:16:46,298 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block/DDR.block -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/block 2025-09-09T13:16:46,298 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block/CHA_SI.block -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/block 2025-09-09T13:16:46,299 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block/BOG_SI.block -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/block 2025-09-09T13:16:46,299 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/structures/block/ATS.block -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/structures/block 2025-09-09T13:16:46,300 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules 2025-09-09T13:16:46,300 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-09T13:16:46,301 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA/propane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-09T13:16:46,301 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA/pentane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-09T13:16:46,302 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA/methane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-09T13:16:46,302 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA/isobutane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-09T13:16:46,303 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA/heptane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-09T13:16:46,303 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA/ethane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-09T13:16:46,303 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA/dimethylpropane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-09T13:16:46,304 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA/butane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-09T13:16:46,304 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA/CO2.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-09T13:16:46,305 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA/2-methylpentane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-09T13:16:46,305 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-UA/2-methylbutane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE-UA 2025-09-09T13:16:46,306 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-EH 2025-09-09T13:16:46,306 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE-EH/methane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE-EH 2025-09-09T13:16:46,307 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,308 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/xenon.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,308 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/water.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,309 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/undecane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,309 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/sodium.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,310 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/propene.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,310 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/propane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,311 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/pentane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,311 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/octane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,311 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/none.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,312 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/nonane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,312 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/neopentane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,313 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/methanol.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,313 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/methane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,314 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/krypton.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,314 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/kalium.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,314 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/isooctane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,315 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/isobutane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,315 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/hydrogen.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,316 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/hexane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,316 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/hexadecane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,316 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/heptane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,317 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/helium.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,317 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/formaldehyde.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,317 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/ethene.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,318 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/ethanol.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,318 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/ethane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,318 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/dodecane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,319 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/dimethylpropane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,319 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/decane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,319 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/chromene_R_flexible.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,320 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/chloride.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,320 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/calcium.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,321 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/butane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,321 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/benzene.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,321 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/argon.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,322 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/PH3.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,322 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/O2.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,322 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/NaCl.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,323 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/Na.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,323 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/N2.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,323 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/LJ2.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,324 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/LJ1.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,324 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/IonP.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,324 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/IonN.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,325 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/H2S.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,325 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/H2.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,325 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/Cl.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,326 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/CO2.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,326 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/CO.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,326 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/C9.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,327 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/C8.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,327 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/C7.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,327 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/C6.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,328 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/C5.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,328 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/C4.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,329 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/C3.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,329 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/C2H2.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,329 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/C28.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,330 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/C27.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,330 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/C26.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,330 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/C25.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,331 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/C24.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,331 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/C23.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,331 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/C22.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,332 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/C21.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,332 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/C20.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,332 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/C2.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,333 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/C19.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,333 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/C18.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,334 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/C17.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,334 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/C16.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,334 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/C15.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,335 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/C14.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,335 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/C13.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,335 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/C12.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,336 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/C11.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,336 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/C10.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,336 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/C1.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,337 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/BDC.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,337 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/AsH3.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,337 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/4mC9.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,338 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/44methylethyloctane_R.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,338 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/44methylethyloctane_L.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,338 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/4-methylheptane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,339 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/3mC9.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,339 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/33-dimethylpentane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,340 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/33-dimethylhexane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,340 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/3-methylpentane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,340 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/3-methylhexane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,341 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/3-methylheptane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,341 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/2mC9.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,341 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/27dmC8.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,342 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/25-dimethylhexane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,342 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/24dmC8.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,342 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/24-dimethylpentane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,343 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/24-dimethylhexane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,343 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/23-dimethylpentane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,343 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/23-dimethylhexane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,344 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/23-dimethylbutane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,344 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/22dmC8.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,344 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/224-trimethylpentane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,345 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/223-trimethylbutane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,345 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/22-dimethylpentane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,346 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/22-dimethylhexane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,346 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/22-dimethylbutane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,346 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/2-trans-butene.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,347 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/2-methylpentane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,347 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/2-methylhexane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,347 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/2-methylheptane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,348 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/2-methylbutane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,348 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/2-ethyl-2-hexenal-trans.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,348 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/2-ethyl-2-hexenal-cis.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,349 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/2-cis-butene.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,349 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/TraPPE/1-butene.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/TraPPE 2025-09-09T13:16:46,350 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/Generic 2025-09-09T13:16:46,350 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/Generic/methane.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/Generic 2025-09-09T13:16:46,350 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/Generic/helium.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/Generic 2025-09-09T13:16:46,351 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/Generic/argon.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/Generic 2025-09-09T13:16:46,351 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/Generic/N2.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/Generic 2025-09-09T13:16:46,351 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/Generic/CO2.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/Generic 2025-09-09T13:16:46,352 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/EPM2 2025-09-09T13:16:46,352 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/EPM2/CO2.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/EPM2 2025-09-09T13:16:46,353 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2025-09-09T13:16:46,353 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/toluene.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2025-09-09T13:16:46,353 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/p-xylene.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2025-09-09T13:16:46,354 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/o-xylene.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2025-09-09T13:16:46,354 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/m-xylene.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2025-09-09T13:16:46,355 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/benzene.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2025-09-09T13:16:46,355 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework 2025-09-09T13:16:46,356 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/NicholasModified 2025-09-09T13:16:46,356 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/NicholasModified/framework.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/framework/NicholasModified 2025-09-09T13:16:46,356 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Nicholas 2025-09-09T13:16:46,357 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Nicholas/framework.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/framework/Nicholas 2025-09-09T13:16:46,357 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-16 2025-09-09T13:16:46,358 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-16/framework.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-16 2025-09-09T13:16:46,359 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-10 2025-09-09T13:16:46,359 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-10/framework.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-10 2025-09-09T13:16:46,359 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-1 2025-09-09T13:16:46,360 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-1/framework.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-1 2025-09-09T13:16:46,360 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/DemontisModified 2025-09-09T13:16:46,361 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/DemontisModified/framework.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/framework/DemontisModified 2025-09-09T13:16:46,361 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Demontis 2025-09-09T13:16:46,361 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/Demontis/framework.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/framework/Demontis 2025-09-09T13:16:46,362 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/CoreShellSchroderSauer 2025-09-09T13:16:46,362 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/CoreShellSchroderSauer/framework.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/framework/CoreShellSchroderSauer 2025-09-09T13:16:46,363 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/CoreShellSastreGale2005 2025-09-09T13:16:46,363 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/CoreShellSastreGale2005/framework.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/framework/CoreShellSastreGale2005 2025-09-09T13:16:46,364 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/CoreShellCatlow 2025-09-09T13:16:46,364 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/CoreShellCatlow/framework.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/framework/CoreShellCatlow 2025-09-09T13:16:46,364 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/AmirjalayerSchmid 2025-09-09T13:16:46,365 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/framework/AmirjalayerSchmid/framework.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/framework/AmirjalayerSchmid 2025-09-09T13:16:46,365 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield 2025-09-09T13:16:46,366 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/TraPPE 2025-09-09T13:16:46,366 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/TraPPE/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/TraPPE 2025-09-09T13:16:46,366 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/TraPPE/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/TraPPE 2025-09-09T13:16:46,367 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/TraPPE/force_field.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/TraPPE 2025-09-09T13:16:46,367 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2025-09-09T13:16:46,367 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/RigidIonKramer1991/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/RigidIonKramer1991 2025-09-09T13:16:46,368 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/RigidIonKramer1991/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/RigidIonKramer1991 2025-09-09T13:16:46,368 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/RigidIonKramer1991/force_field.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/RigidIonKramer1991 2025-09-09T13:16:46,369 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Pascual2004 2025-09-09T13:16:46,369 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Pascual2004/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/Pascual2004 2025-09-09T13:16:46,369 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Pascual2004/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/Pascual2004 2025-09-09T13:16:46,370 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Pascual2004/force_field.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/Pascual2004 2025-09-09T13:16:46,370 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Nicholas 2025-09-09T13:16:46,371 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Nicholas/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/Nicholas 2025-09-09T13:16:46,371 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Nicholas/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/Nicholas 2025-09-09T13:16:46,371 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Nicholas/force_field.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/Nicholas 2025-09-09T13:16:46,372 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2025-09-09T13:16:46,372 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2025-09-09T13:16:46,373 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2025-09-09T13:16:46,373 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin/force_field.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2025-09-09T13:16:46,374 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/GenericZeolites 2025-09-09T13:16:46,374 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GenericZeolites/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/GenericZeolites 2025-09-09T13:16:46,374 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GenericZeolites/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/GenericZeolites 2025-09-09T13:16:46,375 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/GenericMOFs 2025-09-09T13:16:46,375 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GenericMOFs/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/GenericMOFs 2025-09-09T13:16:46,375 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GenericMOFs/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/GenericMOFs 2025-09-09T13:16:46,376 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/GarciaPerez2006 2025-09-09T13:16:46,376 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GarciaPerez2006/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/GarciaPerez2006 2025-09-09T13:16:46,377 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GarciaPerez2006/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/GarciaPerez2006 2025-09-09T13:16:46,377 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/GarciaPerez2006/force_field.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/GarciaPerez2006 2025-09-09T13:16:46,378 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2025-09-09T13:16:46,378 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2025-09-09T13:16:46,378 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2025-09-09T13:16:46,379 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74/force_field.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2025-09-09T13:16:46,379 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2025-09-09T13:16:46,379 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2025-09-09T13:16:46,380 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2025-09-09T13:16:46,380 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended/force_field.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2025-09-09T13:16:46,381 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2025-09-09T13:16:46,381 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2025-09-09T13:16:46,381 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2025-09-09T13:16:46,382 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74/force_field.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2025-09-09T13:16:46,382 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2025-09-09T13:16:46,383 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2025-09-09T13:16:46,383 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2025-09-09T13:16:46,383 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1/force_field.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2025-09-09T13:16:46,384 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2025-09-09T13:16:46,384 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2025-09-09T13:16:46,385 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2025-09-09T13:16:46,385 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101/force_field.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2025-09-09T13:16:46,386 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2025-09-09T13:16:46,386 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2025-09-09T13:16:46,386 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2025-09-09T13:16:46,387 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100/force_field.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2025-09-09T13:16:46,387 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2025-09-09T13:16:46,388 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2025-09-09T13:16:46,388 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2025-09-09T13:16:46,388 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2025-09-09T13:16:46,389 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2025-09-09T13:16:46,389 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2025-09-09T13:16:46,390 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2025-09-09T13:16:46,390 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2025-09-09T13:16:46,391 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2025-09-09T13:16:46,391 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2025-09-09T13:16:46,391 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2025-09-09T13:16:46,392 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2025-09-09T13:16:46,392 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CrystalGenerator 2025-09-09T13:16:46,392 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CrystalGenerator/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/CrystalGenerator 2025-09-09T13:16:46,393 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CrystalGenerator/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/CrystalGenerator 2025-09-09T13:16:46,393 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CrystalGenerator/force_field.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/CrystalGenerator 2025-09-09T13:16:46,394 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2025-09-09T13:16:46,394 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2025-09-09T13:16:46,395 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2025-09-09T13:16:46,395 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer/force_field.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2025-09-09T13:16:46,395 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2025-09-09T13:16:46,396 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2025-09-09T13:16:46,396 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2025-09-09T13:16:46,396 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005/force_field.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2025-09-09T13:16:46,397 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellCatlow 2025-09-09T13:16:46,397 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellCatlow/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/CoreShellCatlow 2025-09-09T13:16:46,398 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellCatlow/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/CoreShellCatlow 2025-09-09T13:16:46,398 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CoreShellCatlow/force_field.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/CoreShellCatlow 2025-09-09T13:16:46,399 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2025-09-09T13:16:46,399 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2025-09-09T13:16:46,399 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2025-09-09T13:16:46,400 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009/force_field.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2025-09-09T13:16:46,400 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2025-09-09T13:16:46,400 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/AmirjalayerSchmid/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2025-09-09T13:16:46,401 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/AmirjalayerSchmid/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2025-09-09T13:16:46,401 copying build/lib.linux-armv7l-cpython-313/RASPA2/share/raspa/forcefield/AmirjalayerSchmid/force_field.def -> build/bdist.linux-armv7l/wheel/./RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2025-09-09T13:16:46,402 copying build/lib.linux-armv7l-cpython-313/RASPA2/__init__.py -> build/bdist.linux-armv7l/wheel/./RASPA2 2025-09-09T13:16:46,402 copying build/lib.linux-armv7l-cpython-313/RASPA2/output_parser.py -> build/bdist.linux-armv7l/wheel/./RASPA2 2025-09-09T13:16:46,402 copying build/lib.linux-armv7l-cpython-313/RASPA2/raspa2.py -> build/bdist.linux-armv7l/wheel/./RASPA2 2025-09-09T13:16:46,403 running install_egg_info 2025-09-09T13:16:46,482 Copying RASPA2.egg-info to build/bdist.linux-armv7l/wheel/./RASPA2-2.0.4-py3.13.egg-info 2025-09-09T13:16:46,484 running install_scripts 2025-09-09T13:16:46,535 creating build/bdist.linux-armv7l/wheel/raspa2-2.0.4.dist-info/WHEEL 2025-09-09T13:16:46,536 creating '/tmp/pip-wheel-_nigo4tk/raspa2-2.0.4-cp313-cp313-linux_armv7l.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2025-09-09T13:16:46,538 adding 'RASPA2/__init__.py' 2025-09-09T13:16:46,540 adding 'RASPA2/output_parser.py' 2025-09-09T13:16:46,542 adding 'RASPA2/raspa2.py' 2025-09-09T13:16:46,544 adding 'RASPA2/share/raspa/forcefield/AmirjalayerSchmid/force_field.def' 2025-09-09T13:16:46,544 adding 'RASPA2/share/raspa/forcefield/AmirjalayerSchmid/force_field_mixing_rules.def' 2025-09-09T13:16:46,545 adding 'RASPA2/share/raspa/forcefield/AmirjalayerSchmid/pseudo_atoms.def' 2025-09-09T13:16:46,546 adding 'RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009/force_field.def' 2025-09-09T13:16:46,546 adding 'RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009/force_field_mixing_rules.def' 2025-09-09T13:16:46,547 adding 'RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009/pseudo_atoms.def' 2025-09-09T13:16:46,548 adding 'RASPA2/share/raspa/forcefield/CoreShellCatlow/force_field.def' 2025-09-09T13:16:46,549 adding 'RASPA2/share/raspa/forcefield/CoreShellCatlow/force_field_mixing_rules.def' 2025-09-09T13:16:46,549 adding 'RASPA2/share/raspa/forcefield/CoreShellCatlow/pseudo_atoms.def' 2025-09-09T13:16:46,550 adding 'RASPA2/share/raspa/forcefield/CoreShellSastreGale2005/force_field.def' 2025-09-09T13:16:46,550 adding 'RASPA2/share/raspa/forcefield/CoreShellSastreGale2005/force_field_mixing_rules.def' 2025-09-09T13:16:46,551 adding 'RASPA2/share/raspa/forcefield/CoreShellSastreGale2005/pseudo_atoms.def' 2025-09-09T13:16:46,552 adding 'RASPA2/share/raspa/forcefield/CoreShellSchroderSauer/force_field.def' 2025-09-09T13:16:46,552 adding 'RASPA2/share/raspa/forcefield/CoreShellSchroderSauer/force_field_mixing_rules.def' 2025-09-09T13:16:46,553 adding 'RASPA2/share/raspa/forcefield/CoreShellSchroderSauer/pseudo_atoms.def' 2025-09-09T13:16:46,554 adding 'RASPA2/share/raspa/forcefield/CrystalGenerator/force_field.def' 2025-09-09T13:16:46,555 adding 'RASPA2/share/raspa/forcefield/CrystalGenerator/force_field_mixing_rules.def' 2025-09-09T13:16:46,556 adding 'RASPA2/share/raspa/forcefield/CrystalGenerator/pseudo_atoms.def' 2025-09-09T13:16:46,556 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field.def' 2025-09-09T13:16:46,557 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field_mixing_rules.def' 2025-09-09T13:16:46,558 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1/pseudo_atoms.def' 2025-09-09T13:16:46,559 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field.def' 2025-09-09T13:16:46,559 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field_mixing_rules.def' 2025-09-09T13:16:46,560 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10/pseudo_atoms.def' 2025-09-09T13:16:46,561 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field.def' 2025-09-09T13:16:46,561 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field_mixing_rules.def' 2025-09-09T13:16:46,562 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16/pseudo_atoms.def' 2025-09-09T13:16:46,563 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100/force_field.def' 2025-09-09T13:16:46,564 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100/force_field_mixing_rules.def' 2025-09-09T13:16:46,564 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100/pseudo_atoms.def' 2025-09-09T13:16:46,565 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101/force_field.def' 2025-09-09T13:16:46,566 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101/force_field_mixing_rules.def' 2025-09-09T13:16:46,566 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101/pseudo_atoms.def' 2025-09-09T13:16:46,567 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1/force_field.def' 2025-09-09T13:16:46,568 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1/force_field_mixing_rules.def' 2025-09-09T13:16:46,569 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1/pseudo_atoms.def' 2025-09-09T13:16:46,569 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74/force_field.def' 2025-09-09T13:16:46,570 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74/force_field_mixing_rules.def' 2025-09-09T13:16:46,571 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74/pseudo_atoms.def' 2025-09-09T13:16:46,572 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended/force_field.def' 2025-09-09T13:16:46,572 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended/force_field_mixing_rules.def' 2025-09-09T13:16:46,573 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended/pseudo_atoms.def' 2025-09-09T13:16:46,574 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74/force_field.def' 2025-09-09T13:16:46,575 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74/force_field_mixing_rules.def' 2025-09-09T13:16:46,575 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74/pseudo_atoms.def' 2025-09-09T13:16:46,576 adding 'RASPA2/share/raspa/forcefield/GarciaPerez2006/force_field.def' 2025-09-09T13:16:46,577 adding 'RASPA2/share/raspa/forcefield/GarciaPerez2006/force_field_mixing_rules.def' 2025-09-09T13:16:46,578 adding 'RASPA2/share/raspa/forcefield/GarciaPerez2006/pseudo_atoms.def' 2025-09-09T13:16:46,579 adding 'RASPA2/share/raspa/forcefield/GenericMOFs/force_field_mixing_rules.def' 2025-09-09T13:16:46,579 adding 'RASPA2/share/raspa/forcefield/GenericMOFs/pseudo_atoms.def' 2025-09-09T13:16:46,580 adding 'RASPA2/share/raspa/forcefield/GenericZeolites/force_field_mixing_rules.def' 2025-09-09T13:16:46,581 adding 'RASPA2/share/raspa/forcefield/GenericZeolites/pseudo_atoms.def' 2025-09-09T13:16:46,582 adding 'RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin/force_field.def' 2025-09-09T13:16:46,582 adding 'RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin/force_field_mixing_rules.def' 2025-09-09T13:16:46,583 adding 'RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin/pseudo_atoms.def' 2025-09-09T13:16:46,584 adding 'RASPA2/share/raspa/forcefield/Nicholas/force_field.def' 2025-09-09T13:16:46,585 adding 'RASPA2/share/raspa/forcefield/Nicholas/force_field_mixing_rules.def' 2025-09-09T13:16:46,585 adding 'RASPA2/share/raspa/forcefield/Nicholas/pseudo_atoms.def' 2025-09-09T13:16:46,586 adding 'RASPA2/share/raspa/forcefield/Pascual2004/force_field.def' 2025-09-09T13:16:46,586 adding 'RASPA2/share/raspa/forcefield/Pascual2004/force_field_mixing_rules.def' 2025-09-09T13:16:46,587 adding 'RASPA2/share/raspa/forcefield/Pascual2004/pseudo_atoms.def' 2025-09-09T13:16:46,588 adding 'RASPA2/share/raspa/forcefield/RigidIonKramer1991/force_field.def' 2025-09-09T13:16:46,588 adding 'RASPA2/share/raspa/forcefield/RigidIonKramer1991/force_field_mixing_rules.def' 2025-09-09T13:16:46,589 adding 'RASPA2/share/raspa/forcefield/RigidIonKramer1991/pseudo_atoms.def' 2025-09-09T13:16:46,590 adding 'RASPA2/share/raspa/forcefield/TraPPE/force_field.def' 2025-09-09T13:16:46,590 adding 'RASPA2/share/raspa/forcefield/TraPPE/force_field_mixing_rules.def' 2025-09-09T13:16:46,591 adding 'RASPA2/share/raspa/forcefield/TraPPE/pseudo_atoms.def' 2025-09-09T13:16:46,592 adding 'RASPA2/share/raspa/framework/AmirjalayerSchmid/framework.def' 2025-09-09T13:16:46,592 adding 'RASPA2/share/raspa/framework/CoreShellCatlow/framework.def' 2025-09-09T13:16:46,593 adding 'RASPA2/share/raspa/framework/CoreShellSastreGale2005/framework.def' 2025-09-09T13:16:46,594 adding 'RASPA2/share/raspa/framework/CoreShellSchroderSauer/framework.def' 2025-09-09T13:16:46,595 adding 'RASPA2/share/raspa/framework/Demontis/framework.def' 2025-09-09T13:16:46,595 adding 'RASPA2/share/raspa/framework/DemontisModified/framework.def' 2025-09-09T13:16:46,596 adding 'RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-1/framework.def' 2025-09-09T13:16:46,597 adding 'RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-10/framework.def' 2025-09-09T13:16:46,597 adding 'RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-16/framework.def' 2025-09-09T13:16:46,598 adding 'RASPA2/share/raspa/framework/Nicholas/framework.def' 2025-09-09T13:16:46,599 adding 'RASPA2/share/raspa/framework/NicholasModified/framework.def' 2025-09-09T13:16:46,600 adding 'RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/benzene.def' 2025-09-09T13:16:46,600 adding 'RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/m-xylene.def' 2025-09-09T13:16:46,601 adding 'RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/o-xylene.def' 2025-09-09T13:16:46,602 adding 'RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/p-xylene.def' 2025-09-09T13:16:46,602 adding 'RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/toluene.def' 2025-09-09T13:16:46,603 adding 'RASPA2/share/raspa/molecules/EPM2/CO2.def' 2025-09-09T13:16:46,604 adding 'RASPA2/share/raspa/molecules/Generic/CO2.def' 2025-09-09T13:16:46,604 adding 'RASPA2/share/raspa/molecules/Generic/N2.def' 2025-09-09T13:16:46,605 adding 'RASPA2/share/raspa/molecules/Generic/argon.def' 2025-09-09T13:16:46,606 adding 'RASPA2/share/raspa/molecules/Generic/helium.def' 2025-09-09T13:16:46,606 adding 'RASPA2/share/raspa/molecules/Generic/methane.def' 2025-09-09T13:16:46,607 adding 'RASPA2/share/raspa/molecules/TraPPE/1-butene.def' 2025-09-09T13:16:46,608 adding 'RASPA2/share/raspa/molecules/TraPPE/2-cis-butene.def' 2025-09-09T13:16:46,609 adding 'RASPA2/share/raspa/molecules/TraPPE/2-ethyl-2-hexenal-cis.def' 2025-09-09T13:16:46,609 adding 'RASPA2/share/raspa/molecules/TraPPE/2-ethyl-2-hexenal-trans.def' 2025-09-09T13:16:46,610 adding 'RASPA2/share/raspa/molecules/TraPPE/2-methylbutane.def' 2025-09-09T13:16:46,611 adding 'RASPA2/share/raspa/molecules/TraPPE/2-methylheptane.def' 2025-09-09T13:16:46,611 adding 'RASPA2/share/raspa/molecules/TraPPE/2-methylhexane.def' 2025-09-09T13:16:46,612 adding 'RASPA2/share/raspa/molecules/TraPPE/2-methylpentane.def' 2025-09-09T13:16:46,612 adding 'RASPA2/share/raspa/molecules/TraPPE/2-trans-butene.def' 2025-09-09T13:16:46,613 adding 'RASPA2/share/raspa/molecules/TraPPE/22-dimethylbutane.def' 2025-09-09T13:16:46,614 adding 'RASPA2/share/raspa/molecules/TraPPE/22-dimethylhexane.def' 2025-09-09T13:16:46,614 adding 'RASPA2/share/raspa/molecules/TraPPE/22-dimethylpentane.def' 2025-09-09T13:16:46,615 adding 'RASPA2/share/raspa/molecules/TraPPE/223-trimethylbutane.def' 2025-09-09T13:16:46,616 adding 'RASPA2/share/raspa/molecules/TraPPE/224-trimethylpentane.def' 2025-09-09T13:16:46,616 adding 'RASPA2/share/raspa/molecules/TraPPE/22dmC8.def' 2025-09-09T13:16:46,617 adding 'RASPA2/share/raspa/molecules/TraPPE/23-dimethylbutane.def' 2025-09-09T13:16:46,618 adding 'RASPA2/share/raspa/molecules/TraPPE/23-dimethylhexane.def' 2025-09-09T13:16:46,618 adding 'RASPA2/share/raspa/molecules/TraPPE/23-dimethylpentane.def' 2025-09-09T13:16:46,619 adding 'RASPA2/share/raspa/molecules/TraPPE/24-dimethylhexane.def' 2025-09-09T13:16:46,620 adding 'RASPA2/share/raspa/molecules/TraPPE/24-dimethylpentane.def' 2025-09-09T13:16:46,620 adding 'RASPA2/share/raspa/molecules/TraPPE/24dmC8.def' 2025-09-09T13:16:46,621 adding 'RASPA2/share/raspa/molecules/TraPPE/25-dimethylhexane.def' 2025-09-09T13:16:46,622 adding 'RASPA2/share/raspa/molecules/TraPPE/27dmC8.def' 2025-09-09T13:16:46,622 adding 'RASPA2/share/raspa/molecules/TraPPE/2mC9.def' 2025-09-09T13:16:46,623 adding 'RASPA2/share/raspa/molecules/TraPPE/3-methylheptane.def' 2025-09-09T13:16:46,624 adding 'RASPA2/share/raspa/molecules/TraPPE/3-methylhexane.def' 2025-09-09T13:16:46,624 adding 'RASPA2/share/raspa/molecules/TraPPE/3-methylpentane.def' 2025-09-09T13:16:46,625 adding 'RASPA2/share/raspa/molecules/TraPPE/33-dimethylhexane.def' 2025-09-09T13:16:46,626 adding 'RASPA2/share/raspa/molecules/TraPPE/33-dimethylpentane.def' 2025-09-09T13:16:46,626 adding 'RASPA2/share/raspa/molecules/TraPPE/3mC9.def' 2025-09-09T13:16:46,627 adding 'RASPA2/share/raspa/molecules/TraPPE/4-methylheptane.def' 2025-09-09T13:16:46,628 adding 'RASPA2/share/raspa/molecules/TraPPE/44methylethyloctane_L.def' 2025-09-09T13:16:46,628 adding 'RASPA2/share/raspa/molecules/TraPPE/44methylethyloctane_R.def' 2025-09-09T13:16:46,629 adding 'RASPA2/share/raspa/molecules/TraPPE/4mC9.def' 2025-09-09T13:16:46,630 adding 'RASPA2/share/raspa/molecules/TraPPE/AsH3.def' 2025-09-09T13:16:46,630 adding 'RASPA2/share/raspa/molecules/TraPPE/BDC.def' 2025-09-09T13:16:46,631 adding 'RASPA2/share/raspa/molecules/TraPPE/C1.def' 2025-09-09T13:16:46,632 adding 'RASPA2/share/raspa/molecules/TraPPE/C10.def' 2025-09-09T13:16:46,632 adding 'RASPA2/share/raspa/molecules/TraPPE/C11.def' 2025-09-09T13:16:46,633 adding 'RASPA2/share/raspa/molecules/TraPPE/C12.def' 2025-09-09T13:16:46,634 adding 'RASPA2/share/raspa/molecules/TraPPE/C13.def' 2025-09-09T13:16:46,634 adding 'RASPA2/share/raspa/molecules/TraPPE/C14.def' 2025-09-09T13:16:46,635 adding 'RASPA2/share/raspa/molecules/TraPPE/C15.def' 2025-09-09T13:16:46,636 adding 'RASPA2/share/raspa/molecules/TraPPE/C16.def' 2025-09-09T13:16:46,637 adding 'RASPA2/share/raspa/molecules/TraPPE/C17.def' 2025-09-09T13:16:46,637 adding 'RASPA2/share/raspa/molecules/TraPPE/C18.def' 2025-09-09T13:16:46,638 adding 'RASPA2/share/raspa/molecules/TraPPE/C19.def' 2025-09-09T13:16:46,639 adding 'RASPA2/share/raspa/molecules/TraPPE/C2.def' 2025-09-09T13:16:46,640 adding 'RASPA2/share/raspa/molecules/TraPPE/C20.def' 2025-09-09T13:16:46,640 adding 'RASPA2/share/raspa/molecules/TraPPE/C21.def' 2025-09-09T13:16:46,641 adding 'RASPA2/share/raspa/molecules/TraPPE/C22.def' 2025-09-09T13:16:46,642 adding 'RASPA2/share/raspa/molecules/TraPPE/C23.def' 2025-09-09T13:16:46,643 adding 'RASPA2/share/raspa/molecules/TraPPE/C24.def' 2025-09-09T13:16:46,644 adding 'RASPA2/share/raspa/molecules/TraPPE/C25.def' 2025-09-09T13:16:46,645 adding 'RASPA2/share/raspa/molecules/TraPPE/C26.def' 2025-09-09T13:16:46,645 adding 'RASPA2/share/raspa/molecules/TraPPE/C27.def' 2025-09-09T13:16:46,646 adding 'RASPA2/share/raspa/molecules/TraPPE/C28.def' 2025-09-09T13:16:46,647 adding 'RASPA2/share/raspa/molecules/TraPPE/C2H2.def' 2025-09-09T13:16:46,648 adding 'RASPA2/share/raspa/molecules/TraPPE/C3.def' 2025-09-09T13:16:46,648 adding 'RASPA2/share/raspa/molecules/TraPPE/C4.def' 2025-09-09T13:16:46,649 adding 'RASPA2/share/raspa/molecules/TraPPE/C5.def' 2025-09-09T13:16:46,650 adding 'RASPA2/share/raspa/molecules/TraPPE/C6.def' 2025-09-09T13:16:46,650 adding 'RASPA2/share/raspa/molecules/TraPPE/C7.def' 2025-09-09T13:16:46,651 adding 'RASPA2/share/raspa/molecules/TraPPE/C8.def' 2025-09-09T13:16:46,652 adding 'RASPA2/share/raspa/molecules/TraPPE/C9.def' 2025-09-09T13:16:46,652 adding 'RASPA2/share/raspa/molecules/TraPPE/CO.def' 2025-09-09T13:16:46,653 adding 'RASPA2/share/raspa/molecules/TraPPE/CO2.def' 2025-09-09T13:16:46,653 adding 'RASPA2/share/raspa/molecules/TraPPE/Cl.def' 2025-09-09T13:16:46,654 adding 'RASPA2/share/raspa/molecules/TraPPE/H2.def' 2025-09-09T13:16:46,655 adding 'RASPA2/share/raspa/molecules/TraPPE/H2S.def' 2025-09-09T13:16:46,655 adding 'RASPA2/share/raspa/molecules/TraPPE/IonN.def' 2025-09-09T13:16:46,656 adding 'RASPA2/share/raspa/molecules/TraPPE/IonP.def' 2025-09-09T13:16:46,656 adding 'RASPA2/share/raspa/molecules/TraPPE/LJ1.def' 2025-09-09T13:16:46,657 adding 'RASPA2/share/raspa/molecules/TraPPE/LJ2.def' 2025-09-09T13:16:46,658 adding 'RASPA2/share/raspa/molecules/TraPPE/N2.def' 2025-09-09T13:16:46,658 adding 'RASPA2/share/raspa/molecules/TraPPE/Na.def' 2025-09-09T13:16:46,659 adding 'RASPA2/share/raspa/molecules/TraPPE/NaCl.def' 2025-09-09T13:16:46,659 adding 'RASPA2/share/raspa/molecules/TraPPE/O2.def' 2025-09-09T13:16:46,660 adding 'RASPA2/share/raspa/molecules/TraPPE/PH3.def' 2025-09-09T13:16:46,661 adding 'RASPA2/share/raspa/molecules/TraPPE/argon.def' 2025-09-09T13:16:46,661 adding 'RASPA2/share/raspa/molecules/TraPPE/benzene.def' 2025-09-09T13:16:46,662 adding 'RASPA2/share/raspa/molecules/TraPPE/butane.def' 2025-09-09T13:16:46,662 adding 'RASPA2/share/raspa/molecules/TraPPE/calcium.def' 2025-09-09T13:16:46,663 adding 'RASPA2/share/raspa/molecules/TraPPE/chloride.def' 2025-09-09T13:16:46,664 adding 'RASPA2/share/raspa/molecules/TraPPE/chromene_R_flexible.def' 2025-09-09T13:16:46,665 adding 'RASPA2/share/raspa/molecules/TraPPE/decane.def' 2025-09-09T13:16:46,665 adding 'RASPA2/share/raspa/molecules/TraPPE/dimethylpropane.def' 2025-09-09T13:16:46,666 adding 'RASPA2/share/raspa/molecules/TraPPE/dodecane.def' 2025-09-09T13:16:46,667 adding 'RASPA2/share/raspa/molecules/TraPPE/ethane.def' 2025-09-09T13:16:46,667 adding 'RASPA2/share/raspa/molecules/TraPPE/ethanol.def' 2025-09-09T13:16:46,668 adding 'RASPA2/share/raspa/molecules/TraPPE/ethene.def' 2025-09-09T13:16:46,669 adding 'RASPA2/share/raspa/molecules/TraPPE/formaldehyde.def' 2025-09-09T13:16:46,669 adding 'RASPA2/share/raspa/molecules/TraPPE/helium.def' 2025-09-09T13:16:46,670 adding 'RASPA2/share/raspa/molecules/TraPPE/heptane.def' 2025-09-09T13:16:46,671 adding 'RASPA2/share/raspa/molecules/TraPPE/hexadecane.def' 2025-09-09T13:16:46,671 adding 'RASPA2/share/raspa/molecules/TraPPE/hexane.def' 2025-09-09T13:16:46,672 adding 'RASPA2/share/raspa/molecules/TraPPE/hydrogen.def' 2025-09-09T13:16:46,673 adding 'RASPA2/share/raspa/molecules/TraPPE/isobutane.def' 2025-09-09T13:16:46,673 adding 'RASPA2/share/raspa/molecules/TraPPE/isooctane.def' 2025-09-09T13:16:46,674 adding 'RASPA2/share/raspa/molecules/TraPPE/kalium.def' 2025-09-09T13:16:46,674 adding 'RASPA2/share/raspa/molecules/TraPPE/krypton.def' 2025-09-09T13:16:46,675 adding 'RASPA2/share/raspa/molecules/TraPPE/methane.def' 2025-09-09T13:16:46,675 adding 'RASPA2/share/raspa/molecules/TraPPE/methanol.def' 2025-09-09T13:16:46,676 adding 'RASPA2/share/raspa/molecules/TraPPE/neopentane.def' 2025-09-09T13:16:46,677 adding 'RASPA2/share/raspa/molecules/TraPPE/nonane.def' 2025-09-09T13:16:46,677 adding 'RASPA2/share/raspa/molecules/TraPPE/none.def' 2025-09-09T13:16:46,678 adding 'RASPA2/share/raspa/molecules/TraPPE/octane.def' 2025-09-09T13:16:46,679 adding 'RASPA2/share/raspa/molecules/TraPPE/pentane.def' 2025-09-09T13:16:46,679 adding 'RASPA2/share/raspa/molecules/TraPPE/propane.def' 2025-09-09T13:16:46,680 adding 'RASPA2/share/raspa/molecules/TraPPE/propene.def' 2025-09-09T13:16:46,680 adding 'RASPA2/share/raspa/molecules/TraPPE/sodium.def' 2025-09-09T13:16:46,681 adding 'RASPA2/share/raspa/molecules/TraPPE/undecane.def' 2025-09-09T13:16:46,682 adding 'RASPA2/share/raspa/molecules/TraPPE/water.def' 2025-09-09T13:16:46,682 adding 'RASPA2/share/raspa/molecules/TraPPE/xenon.def' 2025-09-09T13:16:46,683 adding 'RASPA2/share/raspa/molecules/TraPPE-EH/methane.def' 2025-09-09T13:16:46,684 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/2-methylbutane.def' 2025-09-09T13:16:46,684 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/2-methylpentane.def' 2025-09-09T13:16:46,685 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/CO2.def' 2025-09-09T13:16:46,686 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/butane.def' 2025-09-09T13:16:46,686 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/dimethylpropane.def' 2025-09-09T13:16:46,687 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/ethane.def' 2025-09-09T13:16:46,688 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/heptane.def' 2025-09-09T13:16:46,688 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/isobutane.def' 2025-09-09T13:16:46,689 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/methane.def' 2025-09-09T13:16:46,689 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/pentane.def' 2025-09-09T13:16:46,690 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/propane.def' 2025-09-09T13:16:46,691 adding 'RASPA2/share/raspa/structures/block/ATS.block' 2025-09-09T13:16:46,691 adding 'RASPA2/share/raspa/structures/block/BOG_SI.block' 2025-09-09T13:16:46,692 adding 'RASPA2/share/raspa/structures/block/CHA_SI.block' 2025-09-09T13:16:46,692 adding 'RASPA2/share/raspa/structures/block/DDR.block' 2025-09-09T13:16:46,693 adding 'RASPA2/share/raspa/structures/block/DDR_ortho.block' 2025-09-09T13:16:46,694 adding 'RASPA2/share/raspa/structures/block/ERI_SI.block' 2025-09-09T13:16:46,694 adding 'RASPA2/share/raspa/structures/block/FAU.block' 2025-09-09T13:16:46,695 adding 'RASPA2/share/raspa/structures/block/FER.block' 2025-09-09T13:16:46,695 adding 'RASPA2/share/raspa/structures/block/GME.block' 2025-09-09T13:16:46,696 adding 'RASPA2/share/raspa/structures/block/ITQ-12.block' 2025-09-09T13:16:46,696 adding 'RASPA2/share/raspa/structures/block/ITQ-29-2x2x2.block' 2025-09-09T13:16:46,697 adding 'RASPA2/share/raspa/structures/block/ITQ-29.block' 2025-09-09T13:16:46,697 adding 'RASPA2/share/raspa/structures/block/ITQ-3.block' 2025-09-09T13:16:46,698 adding 'RASPA2/share/raspa/structures/block/LTA_SI.block' 2025-09-09T13:16:46,698 adding 'RASPA2/share/raspa/structures/block/LTL_SI.block' 2025-09-09T13:16:46,699 adding 'RASPA2/share/raspa/structures/block/MFI_Olson.block' 2025-09-09T13:16:46,699 adding 'RASPA2/share/raspa/structures/block/MFI_SI.block' 2025-09-09T13:16:46,700 adding 'RASPA2/share/raspa/structures/block/MFI_mono.block' 2025-09-09T13:16:46,700 adding 'RASPA2/share/raspa/structures/block/MOR_SI.block' 2025-09-09T13:16:46,701 adding 'RASPA2/share/raspa/structures/block/MTW.block' 2025-09-09T13:16:46,701 adding 'RASPA2/share/raspa/structures/block/TON.block' 2025-09-09T13:16:46,702 adding 'RASPA2/share/raspa/structures/block/test.block' 2025-09-09T13:16:46,703 adding 'RASPA2/share/raspa/structures/cif/AEL.cif' 2025-09-09T13:16:46,704 adding 'RASPA2/share/raspa/structures/cif/AFI_SI.cif' 2025-09-09T13:16:46,705 adding 'RASPA2/share/raspa/structures/cif/AFX_SI.cif' 2025-09-09T13:16:46,705 adding 'RASPA2/share/raspa/structures/cif/ATS.cif' 2025-09-09T13:16:46,706 adding 'RASPA2/share/raspa/structures/cif/AlPO-17.cif' 2025-09-09T13:16:46,707 adding 'RASPA2/share/raspa/structures/cif/AlPO-5.cif' 2025-09-09T13:16:46,708 adding 'RASPA2/share/raspa/structures/cif/BEA.cif' 2025-09-09T13:16:46,708 adding 'RASPA2/share/raspa/structures/cif/BOG_SI.cif' 2025-09-09T13:16:46,710 adding 'RASPA2/share/raspa/structures/cif/CAN-12.cif' 2025-09-09T13:16:46,711 adding 'RASPA2/share/raspa/structures/cif/CFI.cif' 2025-09-09T13:16:46,711 adding 'RASPA2/share/raspa/structures/cif/CHA_SI.cif' 2025-09-09T13:16:46,712 adding 'RASPA2/share/raspa/structures/cif/CHA_SI_mono.cif' 2025-09-09T13:16:46,713 adding 'RASPA2/share/raspa/structures/cif/COF-1.cif' 2025-09-09T13:16:46,713 adding 'RASPA2/share/raspa/structures/cif/COF-102.cif' 2025-09-09T13:16:46,714 adding 'RASPA2/share/raspa/structures/cif/COF-103.cif' 2025-09-09T13:16:46,715 adding 'RASPA2/share/raspa/structures/cif/COF-105.cif' 2025-09-09T13:16:46,716 adding 'RASPA2/share/raspa/structures/cif/COF-108.cif' 2025-09-09T13:16:46,717 adding 'RASPA2/share/raspa/structures/cif/COF-202.cif' 2025-09-09T13:16:46,718 adding 'RASPA2/share/raspa/structures/cif/COF-300.cif' 2025-09-09T13:16:46,718 adding 'RASPA2/share/raspa/structures/cif/COF-5.cif' 2025-09-09T13:16:46,719 adding 'RASPA2/share/raspa/structures/cif/CON.cif' 2025-09-09T13:16:46,720 adding 'RASPA2/share/raspa/structures/cif/Cd3BTB2.cif' 2025-09-09T13:16:46,721 adding 'RASPA2/share/raspa/structures/cif/Co(2,6-NDP).cif' 2025-09-09T13:16:46,721 adding 'RASPA2/share/raspa/structures/cif/Co-DOBDC.cif' 2025-09-09T13:16:46,722 adding 'RASPA2/share/raspa/structures/cif/CoBDP-Dubbeldam.cif' 2025-09-09T13:16:46,723 adding 'RASPA2/share/raspa/structures/cif/CoBDP.cif' 2025-09-09T13:16:46,724 adding 'RASPA2/share/raspa/structures/cif/Cu-BTC.cif' 2025-09-09T13:16:46,725 adding 'RASPA2/share/raspa/structures/cif/DDR.cif' 2025-09-09T13:16:46,726 adding 'RASPA2/share/raspa/structures/cif/DON.cif' 2025-09-09T13:16:46,727 adding 'RASPA2/share/raspa/structures/cif/EMT.cif' 2025-09-09T13:16:46,728 adding 'RASPA2/share/raspa/structures/cif/ERI_SI.cif' 2025-09-09T13:16:46,729 adding 'RASPA2/share/raspa/structures/cif/FAU_SI.cif' 2025-09-09T13:16:46,729 adding 'RASPA2/share/raspa/structures/cif/FER.cif' 2025-09-09T13:16:46,730 adding 'RASPA2/share/raspa/structures/cif/GME.cif' 2025-09-09T13:16:46,731 adding 'RASPA2/share/raspa/structures/cif/IRMOF-1-Ar.cif' 2025-09-09T13:16:46,732 adding 'RASPA2/share/raspa/structures/cif/IRMOF-1.cif' 2025-09-09T13:16:46,733 adding 'RASPA2/share/raspa/structures/cif/IRMOF-10.cif' 2025-09-09T13:16:46,743 adding 'RASPA2/share/raspa/structures/cif/IRMOF-11.cif' 2025-09-09T13:16:46,747 adding 'RASPA2/share/raspa/structures/cif/IRMOF-12.cif' 2025-09-09T13:16:46,749 adding 'RASPA2/share/raspa/structures/cif/IRMOF-13.cif' 2025-09-09T13:16:46,750 adding 'RASPA2/share/raspa/structures/cif/IRMOF-14.cif' 2025-09-09T13:16:46,751 adding 'RASPA2/share/raspa/structures/cif/IRMOF-15.cif' 2025-09-09T13:16:46,754 adding 'RASPA2/share/raspa/structures/cif/IRMOF-16.cif' 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'RASPA2/share/raspa/structures/cif/ITQ-29.cif' 2025-09-09T13:16:46,781 adding 'RASPA2/share/raspa/structures/cif/ITQ-3.cif' 2025-09-09T13:16:46,782 adding 'RASPA2/share/raspa/structures/cif/ITQ-7.cif' 2025-09-09T13:16:46,783 adding 'RASPA2/share/raspa/structures/cif/KFI.cif' 2025-09-09T13:16:46,783 adding 'RASPA2/share/raspa/structures/cif/LAU.cif' 2025-09-09T13:16:46,784 adding 'RASPA2/share/raspa/structures/cif/LEV.cif' 2025-09-09T13:16:46,785 adding 'RASPA2/share/raspa/structures/cif/LTA4A.cif' 2025-09-09T13:16:46,786 adding 'RASPA2/share/raspa/structures/cif/LTA5A.cif' 2025-09-09T13:16:46,787 adding 'RASPA2/share/raspa/structures/cif/LTA_SI.cif' 2025-09-09T13:16:46,788 adding 'RASPA2/share/raspa/structures/cif/LTL_SI.cif' 2025-09-09T13:16:46,789 adding 'RASPA2/share/raspa/structures/cif/MAF-X8.cif' 2025-09-09T13:16:46,790 adding 'RASPA2/share/raspa/structures/cif/MAZ.cif' 2025-09-09T13:16:46,791 adding 'RASPA2/share/raspa/structures/cif/MEI.cif' 2025-09-09T13:16:46,792 adding 'RASPA2/share/raspa/structures/cif/MEL.cif' 2025-09-09T13:16:46,792 adding 'RASPA2/share/raspa/structures/cif/MFI_SI.cif' 2025-09-09T13:16:46,793 adding 'RASPA2/share/raspa/structures/cif/MFI_SI_Olson.cif' 2025-09-09T13:16:46,794 adding 'RASPA2/share/raspa/structures/cif/MFI_SI_mono.cif' 2025-09-09T13:16:46,795 adding 'RASPA2/share/raspa/structures/cif/MFI_para.cif' 2025-09-09T13:16:46,796 adding 'RASPA2/share/raspa/structures/cif/MFS.cif' 2025-09-09T13:16:46,810 adding 'RASPA2/share/raspa/structures/cif/MIL-100-primitive.cif' 2025-09-09T13:16:46,852 adding 'RASPA2/share/raspa/structures/cif/MIL-100.cif' 2025-09-09T13:16:46,875 adding 'RASPA2/share/raspa/structures/cif/MIL-101-primitive.cif' 2025-09-09T13:16:46,929 adding 'RASPA2/share/raspa/structures/cif/MIL-101.cif' 2025-09-09T13:16:46,935 adding 'RASPA2/share/raspa/structures/cif/MIL-140A-DFT.cif' 2025-09-09T13:16:46,936 adding 'RASPA2/share/raspa/structures/cif/MIL-140B-DFT.cif' 2025-09-09T13:16:46,937 adding 'RASPA2/share/raspa/structures/cif/MIL-140C-DFT.cif' 2025-09-09T13:16:46,938 adding 'RASPA2/share/raspa/structures/cif/MIL-140D-DFT.cif' 2025-09-09T13:16:46,938 adding 'RASPA2/share/raspa/structures/cif/MIL-47.cif' 2025-09-09T13:16:46,939 adding 'RASPA2/share/raspa/structures/cif/MIL-53(Cr)ht.cif' 2025-09-09T13:16:46,940 adding 'RASPA2/share/raspa/structures/cif/MIL-53(Cr)lt.cif' 2025-09-09T13:16:46,941 adding 'RASPA2/share/raspa/structures/cif/MIL-88A-dry.cif' 2025-09-09T13:16:46,941 adding 'RASPA2/share/raspa/structures/cif/MIL-88A-open.cif' 2025-09-09T13:16:46,942 adding 'RASPA2/share/raspa/structures/cif/MIL-88B-dry.cif' 2025-09-09T13:16:46,943 adding 'RASPA2/share/raspa/structures/cif/MIL-88B-open.cif' 2025-09-09T13:16:46,943 adding 'RASPA2/share/raspa/structures/cif/MIL-88C-dry.cif' 2025-09-09T13:16:46,944 adding 'RASPA2/share/raspa/structures/cif/MIL-88C-open.cif' 2025-09-09T13:16:46,945 adding 'RASPA2/share/raspa/structures/cif/MIL-88D-dry.cif' 2025-09-09T13:16:46,946 adding 'RASPA2/share/raspa/structures/cif/MIL-88D-open.cif' 2025-09-09T13:16:46,946 adding 'RASPA2/share/raspa/structures/cif/MOF-1-Dybtsev-dmol.cif' 2025-09-09T13:16:46,948 adding 'RASPA2/share/raspa/structures/cif/MOF-177.cif' 2025-09-09T13:16:46,954 adding 'RASPA2/share/raspa/structures/cif/MOF-177_ortho.cif' 2025-09-09T13:16:46,961 adding 'RASPA2/share/raspa/structures/cif/MOF-200.cif' 2025-09-09T13:16:46,964 adding 'RASPA2/share/raspa/structures/cif/MOF-205.cif' 2025-09-09T13:16:46,967 adding 'RASPA2/share/raspa/structures/cif/MOF-210-primitive.cif' 2025-09-09T13:16:46,969 adding 'RASPA2/share/raspa/structures/cif/MOF-210.cif' 2025-09-09T13:16:46,970 adding 'RASPA2/share/raspa/structures/cif/MOF-69c.cif' 2025-09-09T13:16:46,971 adding 'RASPA2/share/raspa/structures/cif/MOF-70.cif' 2025-09-09T13:16:46,972 adding 'RASPA2/share/raspa/structures/cif/MOF-72.cif' 2025-09-09T13:16:46,973 adding 'RASPA2/share/raspa/structures/cif/MOR_SI.cif' 2025-09-09T13:16:46,973 adding 'RASPA2/share/raspa/structures/cif/MTW_SI.cif' 2025-09-09T13:16:46,974 adding 'RASPA2/share/raspa/structures/cif/Mg-DOBDC.cif' 2025-09-09T13:16:46,975 adding 'RASPA2/share/raspa/structures/cif/MgMOF-74-VASP.cif' 2025-09-09T13:16:46,975 adding 'RASPA2/share/raspa/structures/cif/MgMOF-74-extended-VASP.cif' 2025-09-09T13:16:46,976 adding 'RASPA2/share/raspa/structures/cif/MgMOF-74.cif' 2025-09-09T13:16:46,978 adding 'RASPA2/share/raspa/structures/cif/NU-100SP-primitive.cif' 2025-09-09T13:16:46,988 adding 'RASPA2/share/raspa/structures/cif/NU-100SP.cif' 2025-09-09T13:16:46,992 adding 'RASPA2/share/raspa/structures/cif/NU-108-Cu-primitive.cif' 2025-09-09T13:16:46,993 adding 'RASPA2/share/raspa/structures/cif/NU-108-Cu.cif' 2025-09-09T13:16:46,997 adding 'RASPA2/share/raspa/structures/cif/NU-108-Zn.cif' 2025-09-09T13:16:46,998 adding 'RASPA2/share/raspa/structures/cif/NaX.cif' 2025-09-09T13:16:46,999 adding 'RASPA2/share/raspa/structures/cif/Ni-DOBDC.cif' 2025-09-09T13:16:47,000 adding 'RASPA2/share/raspa/structures/cif/OFF.cif' 2025-09-09T13:16:47,001 adding 'RASPA2/share/raspa/structures/cif/PAU.cif' 2025-09-09T13:16:47,002 adding 'RASPA2/share/raspa/structures/cif/PCN-60.cif' 2025-09-09T13:16:47,003 adding 'RASPA2/share/raspa/structures/cif/PCN-61.cif' 2025-09-09T13:16:47,005 adding 'RASPA2/share/raspa/structures/cif/PCN-68-primitive.cif' 2025-09-09T13:16:47,006 adding 'RASPA2/share/raspa/structures/cif/PCN-68.cif' 2025-09-09T13:16:47,007 adding 'RASPA2/share/raspa/structures/cif/RHO.cif' 2025-09-09T13:16:47,008 adding 'RASPA2/share/raspa/structures/cif/SAPO-47.cif' 2025-09-09T13:16:47,009 adding 'RASPA2/share/raspa/structures/cif/SAPO-56.cif' 2025-09-09T13:16:47,009 adding 'RASPA2/share/raspa/structures/cif/SFF.cif' 2025-09-09T13:16:47,010 adding 'RASPA2/share/raspa/structures/cif/SOD.cif' 2025-09-09T13:16:47,011 adding 'RASPA2/share/raspa/structures/cif/STF.cif' 2025-09-09T13:16:47,015 adding 'RASPA2/share/raspa/structures/cif/SWNT-1-14.cif' 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'RASPA2/share/raspa/structures/cif/ZIF-1.cif' 2025-09-09T13:16:47,081 adding 'RASPA2/share/raspa/structures/cif/ZIF-10.cif' 2025-09-09T13:16:47,092 adding 'RASPA2/share/raspa/structures/cif/ZIF-11.cif' 2025-09-09T13:16:47,103 adding 'RASPA2/share/raspa/structures/cif/ZIF-12.cif' 2025-09-09T13:16:47,104 adding 'RASPA2/share/raspa/structures/cif/ZIF-2.cif' 2025-09-09T13:16:47,127 adding 'RASPA2/share/raspa/structures/cif/ZIF-20.cif' 2025-09-09T13:16:47,129 adding 'RASPA2/share/raspa/structures/cif/ZIF-3.cif' 2025-09-09T13:16:47,131 adding 'RASPA2/share/raspa/structures/cif/ZIF-4.cif' 2025-09-09T13:16:47,132 adding 'RASPA2/share/raspa/structures/cif/ZIF-5.cif' 2025-09-09T13:16:47,133 adding 'RASPA2/share/raspa/structures/cif/ZIF-6.cif' 2025-09-09T13:16:47,134 adding 'RASPA2/share/raspa/structures/cif/ZIF-68.cif' 2025-09-09T13:16:47,136 adding 'RASPA2/share/raspa/structures/cif/ZIF-69-crystal.cif' 2025-09-09T13:16:47,139 adding 'RASPA2/share/raspa/structures/cif/ZIF-69.cif' 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'RASPA2/share/raspa/structures/cif/ZnBDCdabco.cif' 2025-09-09T13:16:47,152 adding 'RASPA2/share/raspa/structures/cif/ZnHBDC.cif' 2025-09-09T13:16:47,152 adding 'RASPA2/share/raspa/structures/cif/ZnMOF-74-VASP.cif' 2025-09-09T13:16:47,153 adding 'RASPA2/share/raspa/structures/cif/ZnMOF-74.cif' 2025-09-09T13:16:47,156 adding 'RASPA2/share/raspa/structures/cif/Zr-TPDC.cif' 2025-09-09T13:16:47,157 adding 'RASPA2/share/raspa/structures/cif/alpha-quartz.cif' 2025-09-09T13:16:47,158 adding 'RASPA2/share/raspa/structures/cif/coesite.cif' 2025-09-09T13:16:47,162 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-10.25A.cif' 2025-09-09T13:16:47,166 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-10.65A.cif' 2025-09-09T13:16:47,171 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-11.0A.cif' 2025-09-09T13:16:47,175 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-11.36A.cif' 2025-09-09T13:16:47,180 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-12.0A.cif' 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'RASPA2/share/raspa/structures/cif/graphite-sheet-9.0A.cif' 2025-09-09T13:16:47,248 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-9.5A.cif' 2025-09-09T13:16:47,252 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-9.94A.cif' 2025-09-09T13:16:47,264 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-11.36A.cif' 2025-09-09T13:16:47,278 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-12.78A.cif' 2025-09-09T13:16:47,290 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-14.2A.cif' 2025-09-09T13:16:47,307 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-15.62A.cif' 2025-09-09T13:16:47,324 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-17.04A.cif' 2025-09-09T13:16:47,344 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-18.46A.cif' 2025-09-09T13:16:47,365 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-19.88A.cif' 2025-09-09T13:16:47,375 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-8.52A.cif' 2025-09-09T13:16:47,385 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-9.94A.cif' 2025-09-09T13:16:47,387 adding 'RASPA2/share/raspa/structures/cif/graphite.cif' 2025-09-09T13:16:47,388 adding 'RASPA2/share/raspa/structures/cif/graphite_ortho.cif' 2025-09-09T13:16:47,388 adding 'RASPA2/share/raspa/structures/cif/quartz.cif' 2025-09-09T13:16:47,389 adding 'RASPA2/share/raspa/structures/ions/IRMOF-1-Ar.ions' 2025-09-09T13:16:49,812 adding 'RASPA2/simulations/lib/libraspa2.cpython-313-arm-linux-gnueabihf.so' 2025-09-09T13:16:49,936 adding 'raspa2-2.0.4.dist-info/METADATA' 2025-09-09T13:16:49,936 adding 'raspa2-2.0.4.dist-info/WHEEL' 2025-09-09T13:16:49,937 adding 'raspa2-2.0.4.dist-info/entry_points.txt' 2025-09-09T13:16:49,937 adding 'raspa2-2.0.4.dist-info/top_level.txt' 2025-09-09T13:16:49,945 adding 'raspa2-2.0.4.dist-info/RECORD' 2025-09-09T13:16:49,950 removing build/bdist.linux-armv7l/wheel 2025-09-09T13:16:50,134 Building wheel for raspa2 (setup.py): finished with status 'done' 2025-09-09T13:16:50,202 Created wheel for raspa2: filename=raspa2-2.0.4-cp313-cp313-linux_armv7l.whl size=6573264 sha256=fdbdda4624686dce45a52fbd3ad81e9982d7d789b81547b1eedd45a94c730917 2025-09-09T13:16:50,203 Stored in directory: /tmp/pip-ephem-wheel-cache-6ww2_xil/wheels/73/06/35/ba0d1dce191121c6731dde868ac24270cbb752dcd95b0fa27e 2025-09-09T13:16:50,220 Successfully built raspa2 2025-09-09T13:16:50,235 Removed build tracker: '/tmp/pip-build-tracker-_3bx53jj'