2023-09-08T21:24:20,971 Created temporary directory: /tmp/pip-build-tracker-vub40iv0 2023-09-08T21:24:20,973 Initialized build tracking at /tmp/pip-build-tracker-vub40iv0 2023-09-08T21:24:20,973 Created build tracker: /tmp/pip-build-tracker-vub40iv0 2023-09-08T21:24:20,974 Entered build tracker: /tmp/pip-build-tracker-vub40iv0 2023-09-08T21:24:20,974 Created temporary directory: /tmp/pip-wheel-hwv9x1rv 2023-09-08T21:24:20,977 Created temporary directory: /tmp/pip-ephem-wheel-cache-55mjdxfl 2023-09-08T21:24:20,999 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2023-09-08T21:24:21,003 2 location(s) to search for versions of raspa2: 2023-09-08T21:24:21,003 * https://pypi.org/simple/raspa2/ 2023-09-08T21:24:21,003 * https://www.piwheels.org/simple/raspa2/ 2023-09-08T21:24:21,004 Fetching project page and analyzing links: https://pypi.org/simple/raspa2/ 2023-09-08T21:24:21,004 Getting page https://pypi.org/simple/raspa2/ 2023-09-08T21:24:21,006 Found index url https://pypi.org/simple/ 2023-09-08T21:24:21,144 Fetched page https://pypi.org/simple/raspa2/ as application/vnd.pypi.simple.v1+json 2023-09-08T21:24:21,147 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 2023-09-08T21:24:21,148 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 2023-09-08T21:24:21,148 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 2023-09-08T21:24:21,149 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/) 2023-09-08T21:24:21,150 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 2023-09-08T21:24:21,150 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/) 2023-09-08T21:24:21,151 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/) 2023-09-08T21:24:21,152 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 2023-09-08T21:24:21,153 Fetching project page and analyzing links: https://www.piwheels.org/simple/raspa2/ 2023-09-08T21:24:21,153 Getting page https://www.piwheels.org/simple/raspa2/ 2023-09-08T21:24:21,155 Found index url https://www.piwheels.org/simple/ 2023-09-08T21:24:21,468 Fetched page https://www.piwheels.org/simple/raspa2/ as text/html 2023-09-08T21:24:21,473 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.2-cp34-cp34m-linux_armv6l.whl#sha256=145d3b17f0414283b7341581ef85c23156473548ef20114155b1ba0b8c4dbbce (from https://www.piwheels.org/simple/raspa2/) 2023-09-08T21:24:21,474 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.2-cp34-cp34m-linux_armv7l.whl#sha256=145d3b17f0414283b7341581ef85c23156473548ef20114155b1ba0b8c4dbbce (from https://www.piwheels.org/simple/raspa2/) 2023-09-08T21:24:21,474 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.2-cp35-cp35m-linux_armv6l.whl#sha256=a28853c58c0d4db78218d34325b4507e2e61d10c2ac02aef1210d75d3e032a7e (from https://www.piwheels.org/simple/raspa2/) 2023-09-08T21:24:21,475 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.2-cp35-cp35m-linux_armv7l.whl#sha256=a28853c58c0d4db78218d34325b4507e2e61d10c2ac02aef1210d75d3e032a7e (from https://www.piwheels.org/simple/raspa2/) 2023-09-08T21:24:21,476 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.2-cp39-cp39-linux_armv6l.whl#sha256=4931693023f00bdc19259fdaa6ca6047a5e39cb0cc4d7b2c72506ef16c6880e8 (from https://www.piwheels.org/simple/raspa2/) 2023-09-08T21:24:21,476 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.2-cp39-cp39-linux_armv7l.whl#sha256=4931693023f00bdc19259fdaa6ca6047a5e39cb0cc4d7b2c72506ef16c6880e8 (from https://www.piwheels.org/simple/raspa2/) 2023-09-08T21:24:21,477 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.3-cp34-cp34m-linux_armv6l.whl#sha256=d46c1d171046c7643720cdac365443173f1cc39abf1804652a157d2681f4e91d (from https://www.piwheels.org/simple/raspa2/) 2023-09-08T21:24:21,477 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.3-cp34-cp34m-linux_armv7l.whl#sha256=d46c1d171046c7643720cdac365443173f1cc39abf1804652a157d2681f4e91d (from https://www.piwheels.org/simple/raspa2/) 2023-09-08T21:24:21,478 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.3-cp35-cp35m-linux_armv6l.whl#sha256=5358b694dded9a878c55a227dc5c4aaf9fab7b2f79c287ed912ba97591882f12 (from https://www.piwheels.org/simple/raspa2/) 2023-09-08T21:24:21,478 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.3-cp35-cp35m-linux_armv7l.whl#sha256=5358b694dded9a878c55a227dc5c4aaf9fab7b2f79c287ed912ba97591882f12 (from https://www.piwheels.org/simple/raspa2/) 2023-09-08T21:24:21,479 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.4-cp35-cp35m-linux_armv6l.whl#sha256=ec2a374667f2350cc206bf9b00ed6cd65e9f9ebc044c913099a4112700a3ec0f (from https://www.piwheels.org/simple/raspa2/) 2023-09-08T21:24:21,479 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.4-cp35-cp35m-linux_armv7l.whl#sha256=ec2a374667f2350cc206bf9b00ed6cd65e9f9ebc044c913099a4112700a3ec0f (from https://www.piwheels.org/simple/raspa2/) 2023-09-08T21:24:21,480 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.4-cp37-cp37m-linux_armv6l.whl#sha256=3c3310f5920964da463b848531c27ddaabe18597c629ad93fa208207f37a7182 (from https://www.piwheels.org/simple/raspa2/) 2023-09-08T21:24:21,481 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.4-cp37-cp37m-linux_armv7l.whl#sha256=3c3310f5920964da463b848531c27ddaabe18597c629ad93fa208207f37a7182 (from https://www.piwheels.org/simple/raspa2/) 2023-09-08T21:24:21,481 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.4-cp39-cp39-linux_armv6l.whl#sha256=29c51dee509800d0af7ecfa22f50d5bc89c31983e3fa7479206ec0b8c71b3fd0 (from https://www.piwheels.org/simple/raspa2/) 2023-09-08T21:24:21,482 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.4-cp39-cp39-linux_armv7l.whl#sha256=29c51dee509800d0af7ecfa22f50d5bc89c31983e3fa7479206ec0b8c71b3fd0 (from https://www.piwheels.org/simple/raspa2/) 2023-09-08T21:24:21,482 Skipping link: not a file: https://www.piwheels.org/simple/raspa2/ 2023-09-08T21:24:21,483 Skipping link: not a file: https://pypi.org/simple/raspa2/ 2023-09-08T21:24:21,504 Given no hashes to check 1 links for project 'raspa2': discarding no candidates 2023-09-08T21:24:21,522 Collecting raspa2==2.0.3 2023-09-08T21:24:21,524 Created temporary directory: /tmp/pip-unpack-9knnd1jj 2023-09-08T21:24:21,746 Downloading RASPA2-2.0.3.tar.gz (3.2 MB) 2023-09-08T21:24:24,540 Added raspa2==2.0.3 from https://files.pythonhosted.org/packages/98/0d/b750772608f1727fcc1ab455f538d4aa3631943bccecc0309d7bbe7bdd92/RASPA2-2.0.3.tar.gz to build tracker '/tmp/pip-build-tracker-vub40iv0' 2023-09-08T21:24:24,541 Running setup.py (path:/tmp/pip-wheel-hwv9x1rv/raspa2_860ef1146056457fa92048bf8374d7d2/setup.py) egg_info for package raspa2 2023-09-08T21:24:24,542 Created temporary directory: /tmp/pip-pip-egg-info-iteks8ls 2023-09-08T21:24:24,543 Preparing metadata (setup.py): started 2023-09-08T21:24:24,544 Running command python setup.py egg_info 2023-09-08T21:24:26,297 running egg_info 2023-09-08T21:24:26,298 creating /tmp/pip-pip-egg-info-iteks8ls/RASPA2.egg-info 2023-09-08T21:24:26,324 writing /tmp/pip-pip-egg-info-iteks8ls/RASPA2.egg-info/PKG-INFO 2023-09-08T21:24:26,327 writing dependency_links to /tmp/pip-pip-egg-info-iteks8ls/RASPA2.egg-info/dependency_links.txt 2023-09-08T21:24:26,328 writing entry points to /tmp/pip-pip-egg-info-iteks8ls/RASPA2.egg-info/entry_points.txt 2023-09-08T21:24:26,330 writing top-level names to /tmp/pip-pip-egg-info-iteks8ls/RASPA2.egg-info/top_level.txt 2023-09-08T21:24:26,331 writing manifest file '/tmp/pip-pip-egg-info-iteks8ls/RASPA2.egg-info/SOURCES.txt' 2023-09-08T21:24:26,481 reading manifest file '/tmp/pip-pip-egg-info-iteks8ls/RASPA2.egg-info/SOURCES.txt' 2023-09-08T21:24:26,483 reading manifest template 'MANIFEST.in' 2023-09-08T21:24:27,032 writing manifest file '/tmp/pip-pip-egg-info-iteks8ls/RASPA2.egg-info/SOURCES.txt' 2023-09-08T21:24:27,194 Preparing metadata (setup.py): finished with status 'done' 2023-09-08T21:24:27,198 Source in /tmp/pip-wheel-hwv9x1rv/raspa2_860ef1146056457fa92048bf8374d7d2 has version 2.0.3, which satisfies requirement raspa2==2.0.3 from https://files.pythonhosted.org/packages/98/0d/b750772608f1727fcc1ab455f538d4aa3631943bccecc0309d7bbe7bdd92/RASPA2-2.0.3.tar.gz 2023-09-08T21:24:27,199 Removed raspa2==2.0.3 from https://files.pythonhosted.org/packages/98/0d/b750772608f1727fcc1ab455f538d4aa3631943bccecc0309d7bbe7bdd92/RASPA2-2.0.3.tar.gz from build tracker '/tmp/pip-build-tracker-vub40iv0' 2023-09-08T21:24:27,203 Created temporary directory: /tmp/pip-unpack-z2rnl30i 2023-09-08T21:24:27,204 Created temporary directory: /tmp/pip-unpack-ebju28s5 2023-09-08T21:24:27,207 Building wheels for collected packages: raspa2 2023-09-08T21:24:27,211 Created temporary directory: /tmp/pip-wheel-ncl75d40 2023-09-08T21:24:27,211 Building wheel for raspa2 (setup.py): started 2023-09-08T21:24:27,213 Destination directory: /tmp/pip-wheel-ncl75d40 2023-09-08T21:24:27,213 Running command python setup.py bdist_wheel 2023-09-08T21:24:28,700 running bdist_wheel 2023-09-08T21:24:28,795 running build 2023-09-08T21:24:28,796 running build_py 2023-09-08T21:24:28,822 creating build 2023-09-08T21:24:28,823 creating build/lib.linux-armv7l-cpython-311 2023-09-08T21:24:28,823 creating build/lib.linux-armv7l-cpython-311/RASPA2 2023-09-08T21:24:28,825 copying python/__init__.py -> build/lib.linux-armv7l-cpython-311/RASPA2 2023-09-08T21:24:28,827 copying python/raspa2.py -> build/lib.linux-armv7l-cpython-311/RASPA2 2023-09-08T21:24:28,829 copying python/output_parser.py -> build/lib.linux-armv7l-cpython-311/RASPA2 2023-09-08T21:24:28,832 running egg_info 2023-09-08T21:24:28,887 writing RASPA2.egg-info/PKG-INFO 2023-09-08T21:24:28,890 writing dependency_links to RASPA2.egg-info/dependency_links.txt 2023-09-08T21:24:28,892 writing entry points to RASPA2.egg-info/entry_points.txt 2023-09-08T21:24:28,893 writing top-level names to RASPA2.egg-info/top_level.txt 2023-09-08T21:24:28,974 reading manifest file 'RASPA2.egg-info/SOURCES.txt' 2023-09-08T21:24:29,000 reading manifest template 'MANIFEST.in' 2023-09-08T21:24:29,536 writing manifest file 'RASPA2.egg-info/SOURCES.txt' 2023-09-08T21:24:29,539 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.forcefield.AmirjalayerSchmid' is absent from the `packages` configuration. 2023-09-08T21:24:29,540 !! 2023-09-08T21:24:29,541 ******************************************************************************** 2023-09-08T21:24:29,541 ############################ 2023-09-08T21:24:29,542 # Package would be ignored # 2023-09-08T21:24:29,542 ############################ 2023-09-08T21:24:29,543 Python recognizes 'RASPA2.share.raspa.forcefield.AmirjalayerSchmid' as an importable package[^1], 2023-09-08T21:24:29,543 but it is absent from setuptools' `packages` configuration. 2023-09-08T21:24:29,544 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T21:24:29,544 package, please make sure that 'RASPA2.share.raspa.forcefield.AmirjalayerSchmid' is explicitly added 2023-09-08T21:24:29,545 to the `packages` configuration field. 2023-09-08T21:24:29,546 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T21:24:29,546 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T21:24:29,546 instead of `find_packages(...)`/`find:`). 2023-09-08T21:24:29,547 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T21:24:29,548 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T21:24:29,549 If you don't want 'RASPA2.share.raspa.forcefield.AmirjalayerSchmid' to be distributed and are 2023-09-08T21:24:29,550 already explicitly excluding 'RASPA2.share.raspa.forcefield.AmirjalayerSchmid' via 2023-09-08T21:24:29,550 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T21:24:29,551 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T21:24:29,551 combination with a more fine grained `package-data` configuration. 2023-09-08T21:24:29,552 You can read more about "package data files" on setuptools documentation page: 2023-09-08T21:24:29,553 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T21:24:29,554 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T21:24:29,555 even if it does not contain any `.py` files. 2023-09-08T21:24:29,555 On the other hand, currently there is no concept of package data 2023-09-08T21:24:29,556 directory, all directories are treated like packages. 2023-09-08T21:24:29,556 ******************************************************************************** 2023-09-08T21:24:29,557 !! 2023-09-08T21:24:29,558 check.warn(importable) 2023-09-08T21:24:29,558 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.forcefield.CastilloVlugtCalero2009' is absent from the `packages` configuration. 2023-09-08T21:24:29,559 !! 2023-09-08T21:24:29,560 ******************************************************************************** 2023-09-08T21:24:29,560 ############################ 2023-09-08T21:24:29,561 # Package would be ignored # 2023-09-08T21:24:29,561 ############################ 2023-09-08T21:24:29,562 Python recognizes 'RASPA2.share.raspa.forcefield.CastilloVlugtCalero2009' as an importable package[^1], 2023-09-08T21:24:29,562 but it is absent from setuptools' `packages` configuration. 2023-09-08T21:24:29,563 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T21:24:29,564 package, please make sure that 'RASPA2.share.raspa.forcefield.CastilloVlugtCalero2009' is explicitly added 2023-09-08T21:24:29,564 to the `packages` configuration field. 2023-09-08T21:24:29,565 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T21:24:29,566 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T21:24:29,567 instead of `find_packages(...)`/`find:`). 2023-09-08T21:24:29,568 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T21:24:29,568 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T21:24:29,569 If you don't want 'RASPA2.share.raspa.forcefield.CastilloVlugtCalero2009' to be distributed and are 2023-09-08T21:24:29,569 already explicitly excluding 'RASPA2.share.raspa.forcefield.CastilloVlugtCalero2009' via 2023-09-08T21:24:29,570 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T21:24:29,570 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T21:24:29,570 combination with a more fine grained `package-data` configuration. 2023-09-08T21:24:29,571 You can read more about "package data files" on setuptools documentation page: 2023-09-08T21:24:29,572 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T21:24:29,573 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T21:24:29,573 even if it does not contain any `.py` files. 2023-09-08T21:24:29,574 On the other hand, currently there is no concept of package data 2023-09-08T21:24:29,574 directory, all directories are treated like packages. 2023-09-08T21:24:29,574 ******************************************************************************** 2023-09-08T21:24:29,575 !! 2023-09-08T21:24:29,575 check.warn(importable) 2023-09-08T21:24:29,576 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.forcefield.CoreShellCatlow' is absent from the `packages` configuration. 2023-09-08T21:24:29,576 !! 2023-09-08T21:24:29,577 ******************************************************************************** 2023-09-08T21:24:29,578 ############################ 2023-09-08T21:24:29,578 # Package would be ignored # 2023-09-08T21:24:29,578 ############################ 2023-09-08T21:24:29,579 Python recognizes 'RASPA2.share.raspa.forcefield.CoreShellCatlow' as an importable package[^1], 2023-09-08T21:24:29,579 but it is absent from setuptools' `packages` configuration. 2023-09-08T21:24:29,581 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T21:24:29,581 package, please make sure that 'RASPA2.share.raspa.forcefield.CoreShellCatlow' is explicitly added 2023-09-08T21:24:29,582 to the `packages` configuration field. 2023-09-08T21:24:29,583 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T21:24:29,583 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T21:24:29,583 instead of `find_packages(...)`/`find:`). 2023-09-08T21:24:29,584 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T21:24:29,585 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T21:24:29,586 If you don't want 'RASPA2.share.raspa.forcefield.CoreShellCatlow' to be distributed and are 2023-09-08T21:24:29,587 already explicitly excluding 'RASPA2.share.raspa.forcefield.CoreShellCatlow' via 2023-09-08T21:24:29,587 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T21:24:29,588 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T21:24:29,588 combination with a more fine grained `package-data` configuration. 2023-09-08T21:24:29,589 You can read more about "package data files" on setuptools documentation page: 2023-09-08T21:24:29,590 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T21:24:29,591 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T21:24:29,592 even if it does not contain any `.py` files. 2023-09-08T21:24:29,592 On the other hand, currently there is no concept of package data 2023-09-08T21:24:29,593 directory, all directories are treated like packages. 2023-09-08T21:24:29,593 ******************************************************************************** 2023-09-08T21:24:29,594 !! 2023-09-08T21:24:29,594 check.warn(importable) 2023-09-08T21:24:29,594 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.forcefield.CoreShellSastreGale2005' is absent from the `packages` configuration. 2023-09-08T21:24:29,595 !! 2023-09-08T21:24:29,595 ******************************************************************************** 2023-09-08T21:24:29,596 ############################ 2023-09-08T21:24:29,596 # Package would be ignored # 2023-09-08T21:24:29,597 ############################ 2023-09-08T21:24:29,597 Python recognizes 'RASPA2.share.raspa.forcefield.CoreShellSastreGale2005' as an importable package[^1], 2023-09-08T21:24:29,597 but it is absent from setuptools' `packages` configuration. 2023-09-08T21:24:29,598 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T21:24:29,598 package, please make sure that 'RASPA2.share.raspa.forcefield.CoreShellSastreGale2005' is explicitly added 2023-09-08T21:24:29,599 to the `packages` configuration field. 2023-09-08T21:24:29,599 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T21:24:29,600 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T21:24:29,600 instead of `find_packages(...)`/`find:`). 2023-09-08T21:24:29,601 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T21:24:29,602 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T21:24:29,603 If you don't want 'RASPA2.share.raspa.forcefield.CoreShellSastreGale2005' to be distributed and are 2023-09-08T21:24:29,604 already explicitly excluding 'RASPA2.share.raspa.forcefield.CoreShellSastreGale2005' via 2023-09-08T21:24:29,604 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T21:24:29,605 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T21:24:29,605 combination with a more fine grained `package-data` configuration. 2023-09-08T21:24:29,606 You can read more about "package data files" on setuptools documentation page: 2023-09-08T21:24:29,607 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T21:24:29,608 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T21:24:29,609 even if it does not contain any `.py` files. 2023-09-08T21:24:29,609 On the other hand, currently there is no concept of package data 2023-09-08T21:24:29,610 directory, all directories are treated like packages. 2023-09-08T21:24:29,610 ******************************************************************************** 2023-09-08T21:24:29,611 !! 2023-09-08T21:24:29,611 check.warn(importable) 2023-09-08T21:24:29,612 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.forcefield.CoreShellSchroderSauer' is absent from the `packages` configuration. 2023-09-08T21:24:29,612 !! 2023-09-08T21:24:29,613 ******************************************************************************** 2023-09-08T21:24:29,614 ############################ 2023-09-08T21:24:29,614 # Package would be ignored # 2023-09-08T21:24:29,615 ############################ 2023-09-08T21:24:29,616 Python recognizes 'RASPA2.share.raspa.forcefield.CoreShellSchroderSauer' as an importable package[^1], 2023-09-08T21:24:29,616 but it is absent from setuptools' `packages` configuration. 2023-09-08T21:24:29,617 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T21:24:29,617 package, please make sure that 'RASPA2.share.raspa.forcefield.CoreShellSchroderSauer' is explicitly added 2023-09-08T21:24:29,618 to the `packages` configuration field. 2023-09-08T21:24:29,618 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T21:24:29,619 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T21:24:29,619 instead of `find_packages(...)`/`find:`). 2023-09-08T21:24:29,620 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T21:24:29,620 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T21:24:29,621 If you don't want 'RASPA2.share.raspa.forcefield.CoreShellSchroderSauer' to be distributed and are 2023-09-08T21:24:29,621 already explicitly excluding 'RASPA2.share.raspa.forcefield.CoreShellSchroderSauer' via 2023-09-08T21:24:29,622 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T21:24:29,622 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T21:24:29,623 combination with a more fine grained `package-data` configuration. 2023-09-08T21:24:29,624 You can read more about "package data files" on setuptools documentation page: 2023-09-08T21:24:29,625 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T21:24:29,626 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T21:24:29,627 even if it does not contain any `.py` files. 2023-09-08T21:24:29,627 On the other hand, currently there is no concept of package data 2023-09-08T21:24:29,628 directory, all directories are treated like packages. 2023-09-08T21:24:29,628 ******************************************************************************** 2023-09-08T21:24:29,629 !! 2023-09-08T21:24:29,630 check.warn(importable) 2023-09-08T21:24:29,630 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.forcefield.CrystalGenerator' is absent from the `packages` configuration. 2023-09-08T21:24:29,631 !! 2023-09-08T21:24:29,632 ******************************************************************************** 2023-09-08T21:24:29,632 ############################ 2023-09-08T21:24:29,633 # Package would be ignored # 2023-09-08T21:24:29,633 ############################ 2023-09-08T21:24:29,634 Python recognizes 'RASPA2.share.raspa.forcefield.CrystalGenerator' as an importable package[^1], 2023-09-08T21:24:29,634 but it is absent from setuptools' `packages` configuration. 2023-09-08T21:24:29,635 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T21:24:29,636 package, please make sure that 'RASPA2.share.raspa.forcefield.CrystalGenerator' is explicitly added 2023-09-08T21:24:29,636 to the `packages` configuration field. 2023-09-08T21:24:29,637 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T21:24:29,638 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T21:24:29,638 instead of `find_packages(...)`/`find:`). 2023-09-08T21:24:29,639 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T21:24:29,640 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T21:24:29,641 If you don't want 'RASPA2.share.raspa.forcefield.CrystalGenerator' to be distributed and are 2023-09-08T21:24:29,642 already explicitly excluding 'RASPA2.share.raspa.forcefield.CrystalGenerator' via 2023-09-08T21:24:29,643 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T21:24:29,643 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T21:24:29,643 combination with a more fine grained `package-data` configuration. 2023-09-08T21:24:29,644 You can read more about "package data files" on setuptools documentation page: 2023-09-08T21:24:29,645 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T21:24:29,646 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T21:24:29,646 even if it does not contain any `.py` files. 2023-09-08T21:24:29,646 On the other hand, currently there is no concept of package data 2023-09-08T21:24:29,647 directory, all directories are treated like packages. 2023-09-08T21:24:29,647 ******************************************************************************** 2023-09-08T21:24:29,648 !! 2023-09-08T21:24:29,648 check.warn(importable) 2023-09-08T21:24:29,649 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.forcefield' is absent from the `packages` configuration. 2023-09-08T21:24:29,649 !! 2023-09-08T21:24:29,650 ******************************************************************************** 2023-09-08T21:24:29,650 ############################ 2023-09-08T21:24:29,651 # Package would be ignored # 2023-09-08T21:24:29,651 ############################ 2023-09-08T21:24:29,652 Python recognizes 'RASPA2.share.raspa.forcefield' as an importable package[^1], 2023-09-08T21:24:29,652 but it is absent from setuptools' `packages` configuration. 2023-09-08T21:24:29,653 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T21:24:29,654 package, please make sure that 'RASPA2.share.raspa.forcefield' is explicitly added 2023-09-08T21:24:29,654 to the `packages` configuration field. 2023-09-08T21:24:29,655 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T21:24:29,656 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T21:24:29,656 instead of `find_packages(...)`/`find:`). 2023-09-08T21:24:29,657 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T21:24:29,658 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T21:24:29,659 If you don't want 'RASPA2.share.raspa.forcefield' to be distributed and are 2023-09-08T21:24:29,660 already explicitly excluding 'RASPA2.share.raspa.forcefield' via 2023-09-08T21:24:29,660 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T21:24:29,660 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T21:24:29,661 combination with a more fine grained `package-data` configuration. 2023-09-08T21:24:29,662 You can read more about "package data files" on setuptools documentation page: 2023-09-08T21:24:29,663 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T21:24:29,664 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T21:24:29,665 even if it does not contain any `.py` files. 2023-09-08T21:24:29,665 On the other hand, currently there is no concept of package data 2023-09-08T21:24:29,665 directory, all directories are treated like packages. 2023-09-08T21:24:29,666 ******************************************************************************** 2023-09-08T21:24:29,667 !! 2023-09-08T21:24:29,667 check.warn(importable) 2023-09-08T21:24:29,668 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.forcefield.GarciaPerez2006' is absent from the `packages` configuration. 2023-09-08T21:24:29,668 !! 2023-09-08T21:24:29,669 ******************************************************************************** 2023-09-08T21:24:29,669 ############################ 2023-09-08T21:24:29,669 # Package would be ignored # 2023-09-08T21:24:29,670 ############################ 2023-09-08T21:24:29,670 Python recognizes 'RASPA2.share.raspa.forcefield.GarciaPerez2006' as an importable package[^1], 2023-09-08T21:24:29,670 but it is absent from setuptools' `packages` configuration. 2023-09-08T21:24:29,671 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T21:24:29,671 package, please make sure that 'RASPA2.share.raspa.forcefield.GarciaPerez2006' is explicitly added 2023-09-08T21:24:29,671 to the `packages` configuration field. 2023-09-08T21:24:29,672 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T21:24:29,673 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T21:24:29,673 instead of `find_packages(...)`/`find:`). 2023-09-08T21:24:29,674 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T21:24:29,674 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T21:24:29,675 If you don't want 'RASPA2.share.raspa.forcefield.GarciaPerez2006' to be distributed and are 2023-09-08T21:24:29,676 already explicitly excluding 'RASPA2.share.raspa.forcefield.GarciaPerez2006' via 2023-09-08T21:24:29,676 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T21:24:29,677 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T21:24:29,677 combination with a more fine grained `package-data` configuration. 2023-09-08T21:24:29,678 You can read more about "package data files" on setuptools documentation page: 2023-09-08T21:24:29,679 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T21:24:29,681 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T21:24:29,681 even if it does not contain any `.py` files. 2023-09-08T21:24:29,682 On the other hand, currently there is no concept of package data 2023-09-08T21:24:29,682 directory, all directories are treated like packages. 2023-09-08T21:24:29,683 ******************************************************************************** 2023-09-08T21:24:29,684 !! 2023-09-08T21:24:29,684 check.warn(importable) 2023-09-08T21:24:29,684 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.forcefield.GenericMOFs' is absent from the `packages` configuration. 2023-09-08T21:24:29,685 !! 2023-09-08T21:24:29,686 ******************************************************************************** 2023-09-08T21:24:29,686 ############################ 2023-09-08T21:24:29,687 # Package would be ignored # 2023-09-08T21:24:29,687 ############################ 2023-09-08T21:24:29,688 Python recognizes 'RASPA2.share.raspa.forcefield.GenericMOFs' as an importable package[^1], 2023-09-08T21:24:29,688 but it is absent from setuptools' `packages` configuration. 2023-09-08T21:24:29,689 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T21:24:29,690 package, please make sure that 'RASPA2.share.raspa.forcefield.GenericMOFs' is explicitly added 2023-09-08T21:24:29,690 to the `packages` configuration field. 2023-09-08T21:24:29,692 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T21:24:29,692 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T21:24:29,692 instead of `find_packages(...)`/`find:`). 2023-09-08T21:24:29,693 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T21:24:29,704 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T21:24:29,705 If you don't want 'RASPA2.share.raspa.forcefield.GenericMOFs' to be distributed and are 2023-09-08T21:24:29,705 already explicitly excluding 'RASPA2.share.raspa.forcefield.GenericMOFs' via 2023-09-08T21:24:29,706 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T21:24:29,706 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T21:24:29,706 combination with a more fine grained `package-data` configuration. 2023-09-08T21:24:29,707 You can read more about "package data files" on setuptools documentation page: 2023-09-08T21:24:29,708 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T21:24:29,709 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T21:24:29,709 even if it does not contain any `.py` files. 2023-09-08T21:24:29,710 On the other hand, currently there is no concept of package data 2023-09-08T21:24:29,710 directory, all directories are treated like packages. 2023-09-08T21:24:29,711 ******************************************************************************** 2023-09-08T21:24:29,711 !! 2023-09-08T21:24:29,712 check.warn(importable) 2023-09-08T21:24:29,712 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.forcefield.GenericZeolites' is absent from the `packages` configuration. 2023-09-08T21:24:29,713 !! 2023-09-08T21:24:29,714 ******************************************************************************** 2023-09-08T21:24:29,714 ############################ 2023-09-08T21:24:29,715 # Package would be ignored # 2023-09-08T21:24:29,715 ############################ 2023-09-08T21:24:29,716 Python recognizes 'RASPA2.share.raspa.forcefield.GenericZeolites' as an importable package[^1], 2023-09-08T21:24:29,716 but it is absent from setuptools' `packages` configuration. 2023-09-08T21:24:29,717 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T21:24:29,718 package, please make sure that 'RASPA2.share.raspa.forcefield.GenericZeolites' is explicitly added 2023-09-08T21:24:29,718 to the `packages` configuration field. 2023-09-08T21:24:29,719 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T21:24:29,719 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T21:24:29,720 instead of `find_packages(...)`/`find:`). 2023-09-08T21:24:29,721 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T21:24:29,722 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T21:24:29,723 If you don't want 'RASPA2.share.raspa.forcefield.GenericZeolites' to be distributed and are 2023-09-08T21:24:29,723 already explicitly excluding 'RASPA2.share.raspa.forcefield.GenericZeolites' via 2023-09-08T21:24:29,723 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T21:24:29,724 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T21:24:29,725 combination with a more fine grained `package-data` configuration. 2023-09-08T21:24:29,726 You can read more about "package data files" on setuptools documentation page: 2023-09-08T21:24:29,727 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T21:24:29,728 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T21:24:29,728 even if it does not contain any `.py` files. 2023-09-08T21:24:29,729 On the other hand, currently there is no concept of package data 2023-09-08T21:24:29,729 directory, all directories are treated like packages. 2023-09-08T21:24:29,729 ******************************************************************************** 2023-09-08T21:24:29,730 !! 2023-09-08T21:24:29,730 check.warn(importable) 2023-09-08T21:24:29,730 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.forcefield.Nicholas' is absent from the `packages` configuration. 2023-09-08T21:24:29,731 !! 2023-09-08T21:24:29,731 ******************************************************************************** 2023-09-08T21:24:29,732 ############################ 2023-09-08T21:24:29,732 # Package would be ignored # 2023-09-08T21:24:29,733 ############################ 2023-09-08T21:24:29,733 Python recognizes 'RASPA2.share.raspa.forcefield.Nicholas' as an importable package[^1], 2023-09-08T21:24:29,733 but it is absent from setuptools' `packages` configuration. 2023-09-08T21:24:29,734 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T21:24:29,734 package, please make sure that 'RASPA2.share.raspa.forcefield.Nicholas' is explicitly added 2023-09-08T21:24:29,735 to the `packages` configuration field. 2023-09-08T21:24:29,736 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T21:24:29,736 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T21:24:29,737 instead of `find_packages(...)`/`find:`). 2023-09-08T21:24:29,737 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T21:24:29,739 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T21:24:29,740 If you don't want 'RASPA2.share.raspa.forcefield.Nicholas' to be distributed and are 2023-09-08T21:24:29,740 already explicitly excluding 'RASPA2.share.raspa.forcefield.Nicholas' via 2023-09-08T21:24:29,741 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T21:24:29,741 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T21:24:29,742 combination with a more fine grained `package-data` configuration. 2023-09-08T21:24:29,743 You can read more about "package data files" on setuptools documentation page: 2023-09-08T21:24:29,744 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T21:24:29,745 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T21:24:29,745 even if it does not contain any `.py` files. 2023-09-08T21:24:29,746 On the other hand, currently there is no concept of package data 2023-09-08T21:24:29,746 directory, all directories are treated like packages. 2023-09-08T21:24:29,747 ******************************************************************************** 2023-09-08T21:24:29,747 !! 2023-09-08T21:24:29,748 check.warn(importable) 2023-09-08T21:24:29,748 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.forcefield.Pascual2004' is absent from the `packages` configuration. 2023-09-08T21:24:29,749 !! 2023-09-08T21:24:29,750 ******************************************************************************** 2023-09-08T21:24:29,751 ############################ 2023-09-08T21:24:29,751 # Package would be ignored # 2023-09-08T21:24:29,752 ############################ 2023-09-08T21:24:29,752 Python recognizes 'RASPA2.share.raspa.forcefield.Pascual2004' as an importable package[^1], 2023-09-08T21:24:29,753 but it is absent from setuptools' `packages` configuration. 2023-09-08T21:24:29,753 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T21:24:29,754 package, please make sure that 'RASPA2.share.raspa.forcefield.Pascual2004' is explicitly added 2023-09-08T21:24:29,754 to the `packages` configuration field. 2023-09-08T21:24:29,754 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T21:24:29,755 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T21:24:29,755 instead of `find_packages(...)`/`find:`). 2023-09-08T21:24:29,756 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T21:24:29,756 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T21:24:29,757 If you don't want 'RASPA2.share.raspa.forcefield.Pascual2004' to be distributed and are 2023-09-08T21:24:29,757 already explicitly excluding 'RASPA2.share.raspa.forcefield.Pascual2004' via 2023-09-08T21:24:29,758 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T21:24:29,758 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T21:24:29,759 combination with a more fine grained `package-data` configuration. 2023-09-08T21:24:29,759 You can read more about "package data files" on setuptools documentation page: 2023-09-08T21:24:29,760 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T21:24:29,762 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T21:24:29,762 even if it does not contain any `.py` files. 2023-09-08T21:24:29,763 On the other hand, currently there is no concept of package data 2023-09-08T21:24:29,763 directory, all directories are treated like packages. 2023-09-08T21:24:29,764 ******************************************************************************** 2023-09-08T21:24:29,765 !! 2023-09-08T21:24:29,765 check.warn(importable) 2023-09-08T21:24:29,766 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.forcefield.RigidIonKramer1991' is absent from the `packages` configuration. 2023-09-08T21:24:29,766 !! 2023-09-08T21:24:29,767 ******************************************************************************** 2023-09-08T21:24:29,768 ############################ 2023-09-08T21:24:29,768 # Package would be ignored # 2023-09-08T21:24:29,769 ############################ 2023-09-08T21:24:29,769 Python recognizes 'RASPA2.share.raspa.forcefield.RigidIonKramer1991' as an importable package[^1], 2023-09-08T21:24:29,770 but it is absent from setuptools' `packages` configuration. 2023-09-08T21:24:29,771 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T21:24:29,774 package, please make sure that 'RASPA2.share.raspa.forcefield.RigidIonKramer1991' is explicitly added 2023-09-08T21:24:29,774 to the `packages` configuration field. 2023-09-08T21:24:29,775 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T21:24:29,776 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T21:24:29,776 instead of `find_packages(...)`/`find:`). 2023-09-08T21:24:29,778 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T21:24:29,779 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T21:24:29,780 If you don't want 'RASPA2.share.raspa.forcefield.RigidIonKramer1991' to be distributed and are 2023-09-08T21:24:29,781 already explicitly excluding 'RASPA2.share.raspa.forcefield.RigidIonKramer1991' via 2023-09-08T21:24:29,781 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T21:24:29,782 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T21:24:29,782 combination with a more fine grained `package-data` configuration. 2023-09-08T21:24:29,783 You can read more about "package data files" on setuptools documentation page: 2023-09-08T21:24:29,784 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T21:24:29,785 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T21:24:29,786 even if it does not contain any `.py` files. 2023-09-08T21:24:29,786 On the other hand, currently there is no concept of package data 2023-09-08T21:24:29,786 directory, all directories are treated like packages. 2023-09-08T21:24:29,787 ******************************************************************************** 2023-09-08T21:24:29,788 !! 2023-09-08T21:24:29,788 check.warn(importable) 2023-09-08T21:24:29,788 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.forcefield.TraPPE' is absent from the `packages` configuration. 2023-09-08T21:24:29,789 !! 2023-09-08T21:24:29,790 ******************************************************************************** 2023-09-08T21:24:29,790 ############################ 2023-09-08T21:24:29,790 # Package would be ignored # 2023-09-08T21:24:29,791 ############################ 2023-09-08T21:24:29,791 Python recognizes 'RASPA2.share.raspa.forcefield.TraPPE' as an importable package[^1], 2023-09-08T21:24:29,792 but it is absent from setuptools' `packages` configuration. 2023-09-08T21:24:29,793 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T21:24:29,794 package, please make sure that 'RASPA2.share.raspa.forcefield.TraPPE' is explicitly added 2023-09-08T21:24:29,794 to the `packages` configuration field. 2023-09-08T21:24:29,795 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T21:24:29,796 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T21:24:29,797 instead of `find_packages(...)`/`find:`). 2023-09-08T21:24:29,798 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T21:24:29,799 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T21:24:29,800 If you don't want 'RASPA2.share.raspa.forcefield.TraPPE' to be distributed and are 2023-09-08T21:24:29,800 already explicitly excluding 'RASPA2.share.raspa.forcefield.TraPPE' via 2023-09-08T21:24:29,800 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T21:24:29,801 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T21:24:29,801 combination with a more fine grained `package-data` configuration. 2023-09-08T21:24:29,802 You can read more about "package data files" on setuptools documentation page: 2023-09-08T21:24:29,804 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T21:24:29,805 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T21:24:29,806 even if it does not contain any `.py` files. 2023-09-08T21:24:29,806 On the other hand, currently there is no concept of package data 2023-09-08T21:24:29,807 directory, all directories are treated like packages. 2023-09-08T21:24:29,808 ******************************************************************************** 2023-09-08T21:24:29,809 !! 2023-09-08T21:24:29,809 check.warn(importable) 2023-09-08T21:24:29,810 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.framework.AmirjalayerSchmid' is absent from the `packages` configuration. 2023-09-08T21:24:29,810 !! 2023-09-08T21:24:29,811 ******************************************************************************** 2023-09-08T21:24:29,811 ############################ 2023-09-08T21:24:29,811 # Package would be ignored # 2023-09-08T21:24:29,812 ############################ 2023-09-08T21:24:29,812 Python recognizes 'RASPA2.share.raspa.framework.AmirjalayerSchmid' as an importable package[^1], 2023-09-08T21:24:29,813 but it is absent from setuptools' `packages` configuration. 2023-09-08T21:24:29,823 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T21:24:29,824 package, please make sure that 'RASPA2.share.raspa.framework.AmirjalayerSchmid' is explicitly added 2023-09-08T21:24:29,824 to the `packages` configuration field. 2023-09-08T21:24:29,825 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T21:24:29,825 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T21:24:29,826 instead of `find_packages(...)`/`find:`). 2023-09-08T21:24:29,827 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T21:24:29,828 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T21:24:29,829 If you don't want 'RASPA2.share.raspa.framework.AmirjalayerSchmid' to be distributed and are 2023-09-08T21:24:29,829 already explicitly excluding 'RASPA2.share.raspa.framework.AmirjalayerSchmid' via 2023-09-08T21:24:29,830 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T21:24:29,830 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T21:24:29,831 combination with a more fine grained `package-data` configuration. 2023-09-08T21:24:29,832 You can read more about "package data files" on setuptools documentation page: 2023-09-08T21:24:29,833 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T21:24:29,835 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T21:24:29,836 even if it does not contain any `.py` files. 2023-09-08T21:24:29,836 On the other hand, currently there is no concept of package data 2023-09-08T21:24:29,837 directory, all directories are treated like packages. 2023-09-08T21:24:29,837 ******************************************************************************** 2023-09-08T21:24:29,838 !! 2023-09-08T21:24:29,839 check.warn(importable) 2023-09-08T21:24:29,839 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.framework.CoreShellCatlow' is absent from the `packages` configuration. 2023-09-08T21:24:29,840 !! 2023-09-08T21:24:29,841 ******************************************************************************** 2023-09-08T21:24:29,841 ############################ 2023-09-08T21:24:29,842 # Package would be ignored # 2023-09-08T21:24:29,842 ############################ 2023-09-08T21:24:29,843 Python recognizes 'RASPA2.share.raspa.framework.CoreShellCatlow' as an importable package[^1], 2023-09-08T21:24:29,843 but it is absent from setuptools' `packages` configuration. 2023-09-08T21:24:29,845 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T21:24:29,845 package, please make sure that 'RASPA2.share.raspa.framework.CoreShellCatlow' is explicitly added 2023-09-08T21:24:29,846 to the `packages` configuration field. 2023-09-08T21:24:29,847 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T21:24:29,847 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T21:24:29,847 instead of `find_packages(...)`/`find:`). 2023-09-08T21:24:29,848 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T21:24:29,849 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T21:24:29,849 If you don't want 'RASPA2.share.raspa.framework.CoreShellCatlow' to be distributed and are 2023-09-08T21:24:29,850 already explicitly excluding 'RASPA2.share.raspa.framework.CoreShellCatlow' via 2023-09-08T21:24:29,850 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T21:24:29,851 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T21:24:29,851 combination with a more fine grained `package-data` configuration. 2023-09-08T21:24:29,852 You can read more about "package data files" on setuptools documentation page: 2023-09-08T21:24:29,853 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T21:24:29,854 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T21:24:29,854 even if it does not contain any `.py` files. 2023-09-08T21:24:29,855 On the other hand, currently there is no concept of package data 2023-09-08T21:24:29,855 directory, all directories are treated like packages. 2023-09-08T21:24:29,856 ******************************************************************************** 2023-09-08T21:24:29,857 !! 2023-09-08T21:24:29,858 check.warn(importable) 2023-09-08T21:24:29,858 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.framework.CoreShellSastreGale2005' is absent from the `packages` configuration. 2023-09-08T21:24:29,859 !! 2023-09-08T21:24:29,860 ******************************************************************************** 2023-09-08T21:24:29,861 ############################ 2023-09-08T21:24:29,861 # Package would be ignored # 2023-09-08T21:24:29,862 ############################ 2023-09-08T21:24:29,863 Python recognizes 'RASPA2.share.raspa.framework.CoreShellSastreGale2005' as an importable package[^1], 2023-09-08T21:24:29,863 but it is absent from setuptools' `packages` configuration. 2023-09-08T21:24:29,864 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T21:24:29,865 package, please make sure that 'RASPA2.share.raspa.framework.CoreShellSastreGale2005' is explicitly added 2023-09-08T21:24:29,866 to the `packages` configuration field. 2023-09-08T21:24:29,867 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T21:24:29,867 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T21:24:29,868 instead of `find_packages(...)`/`find:`). 2023-09-08T21:24:29,869 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T21:24:29,870 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T21:24:29,872 If you don't want 'RASPA2.share.raspa.framework.CoreShellSastreGale2005' to be distributed and are 2023-09-08T21:24:29,872 already explicitly excluding 'RASPA2.share.raspa.framework.CoreShellSastreGale2005' via 2023-09-08T21:24:29,873 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T21:24:29,874 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T21:24:29,874 combination with a more fine grained `package-data` configuration. 2023-09-08T21:24:29,876 You can read more about "package data files" on setuptools documentation page: 2023-09-08T21:24:29,876 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T21:24:29,878 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T21:24:29,878 even if it does not contain any `.py` files. 2023-09-08T21:24:29,879 On the other hand, currently there is no concept of package data 2023-09-08T21:24:29,879 directory, all directories are treated like packages. 2023-09-08T21:24:29,880 ******************************************************************************** 2023-09-08T21:24:29,881 !! 2023-09-08T21:24:29,882 check.warn(importable) 2023-09-08T21:24:29,882 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.framework.CoreShellSchroderSauer' is absent from the `packages` configuration. 2023-09-08T21:24:29,883 !! 2023-09-08T21:24:29,884 ******************************************************************************** 2023-09-08T21:24:29,885 ############################ 2023-09-08T21:24:29,885 # Package would be ignored # 2023-09-08T21:24:29,886 ############################ 2023-09-08T21:24:29,886 Python recognizes 'RASPA2.share.raspa.framework.CoreShellSchroderSauer' as an importable package[^1], 2023-09-08T21:24:29,887 but it is absent from setuptools' `packages` configuration. 2023-09-08T21:24:29,888 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T21:24:29,889 package, please make sure that 'RASPA2.share.raspa.framework.CoreShellSchroderSauer' is explicitly added 2023-09-08T21:24:29,889 to the `packages` configuration field. 2023-09-08T21:24:29,891 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T21:24:29,891 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T21:24:29,892 instead of `find_packages(...)`/`find:`). 2023-09-08T21:24:29,893 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T21:24:29,895 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T21:24:29,896 If you don't want 'RASPA2.share.raspa.framework.CoreShellSchroderSauer' to be distributed and are 2023-09-08T21:24:29,897 already explicitly excluding 'RASPA2.share.raspa.framework.CoreShellSchroderSauer' via 2023-09-08T21:24:29,897 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T21:24:29,898 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T21:24:29,899 combination with a more fine grained `package-data` configuration. 2023-09-08T21:24:29,900 You can read more about "package data files" on setuptools documentation page: 2023-09-08T21:24:29,901 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T21:24:29,903 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T21:24:29,904 even if it does not contain any `.py` files. 2023-09-08T21:24:29,904 On the other hand, currently there is no concept of package data 2023-09-08T21:24:29,905 directory, all directories are treated like packages. 2023-09-08T21:24:29,906 ******************************************************************************** 2023-09-08T21:24:29,907 !! 2023-09-08T21:24:29,908 check.warn(importable) 2023-09-08T21:24:29,908 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.framework.Demontis' is absent from the `packages` configuration. 2023-09-08T21:24:29,909 !! 2023-09-08T21:24:29,910 ******************************************************************************** 2023-09-08T21:24:29,911 ############################ 2023-09-08T21:24:29,911 # Package would be ignored # 2023-09-08T21:24:29,912 ############################ 2023-09-08T21:24:29,913 Python recognizes 'RASPA2.share.raspa.framework.Demontis' as an importable package[^1], 2023-09-08T21:24:29,913 but it is absent from setuptools' `packages` configuration. 2023-09-08T21:24:29,915 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T21:24:29,915 package, please make sure that 'RASPA2.share.raspa.framework.Demontis' is explicitly added 2023-09-08T21:24:29,916 to the `packages` configuration field. 2023-09-08T21:24:29,917 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T21:24:29,917 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T21:24:29,918 instead of `find_packages(...)`/`find:`). 2023-09-08T21:24:29,919 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T21:24:29,920 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T21:24:29,921 If you don't want 'RASPA2.share.raspa.framework.Demontis' to be distributed and are 2023-09-08T21:24:29,921 already explicitly excluding 'RASPA2.share.raspa.framework.Demontis' via 2023-09-08T21:24:29,922 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T21:24:29,923 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T21:24:29,923 combination with a more fine grained `package-data` configuration. 2023-09-08T21:24:29,924 You can read more about "package data files" on setuptools documentation page: 2023-09-08T21:24:29,926 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T21:24:29,928 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T21:24:29,928 even if it does not contain any `.py` files. 2023-09-08T21:24:29,929 On the other hand, currently there is no concept of package data 2023-09-08T21:24:29,929 directory, all directories are treated like packages. 2023-09-08T21:24:29,930 ******************************************************************************** 2023-09-08T21:24:29,931 !! 2023-09-08T21:24:29,932 check.warn(importable) 2023-09-08T21:24:29,932 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.framework.DemontisModified' is absent from the `packages` configuration. 2023-09-08T21:24:29,933 !! 2023-09-08T21:24:29,934 ******************************************************************************** 2023-09-08T21:24:29,935 ############################ 2023-09-08T21:24:29,935 # Package would be ignored # 2023-09-08T21:24:29,936 ############################ 2023-09-08T21:24:29,936 Python recognizes 'RASPA2.share.raspa.framework.DemontisModified' as an importable package[^1], 2023-09-08T21:24:29,937 but it is absent from setuptools' `packages` configuration. 2023-09-08T21:24:29,938 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T21:24:29,939 package, please make sure that 'RASPA2.share.raspa.framework.DemontisModified' is explicitly added 2023-09-08T21:24:29,940 to the `packages` configuration field. 2023-09-08T21:24:29,941 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T21:24:29,941 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T21:24:29,942 instead of `find_packages(...)`/`find:`). 2023-09-08T21:24:29,944 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T21:24:29,945 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T21:24:29,946 If you don't want 'RASPA2.share.raspa.framework.DemontisModified' to be distributed and are 2023-09-08T21:24:29,947 already explicitly excluding 'RASPA2.share.raspa.framework.DemontisModified' via 2023-09-08T21:24:29,947 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T21:24:29,948 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T21:24:29,949 combination with a more fine grained `package-data` configuration. 2023-09-08T21:24:29,950 You can read more about "package data files" on setuptools documentation page: 2023-09-08T21:24:29,951 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T21:24:29,953 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T21:24:29,954 even if it does not contain any `.py` files. 2023-09-08T21:24:29,954 On the other hand, currently there is no concept of package data 2023-09-08T21:24:29,955 directory, all directories are treated like packages. 2023-09-08T21:24:29,956 ******************************************************************************** 2023-09-08T21:24:29,957 !! 2023-09-08T21:24:29,957 check.warn(importable) 2023-09-08T21:24:29,958 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.framework' is absent from the `packages` configuration. 2023-09-08T21:24:29,958 !! 2023-09-08T21:24:29,959 ******************************************************************************** 2023-09-08T21:24:29,960 ############################ 2023-09-08T21:24:29,960 # Package would be ignored # 2023-09-08T21:24:29,961 ############################ 2023-09-08T21:24:29,961 Python recognizes 'RASPA2.share.raspa.framework' as an importable package[^1], 2023-09-08T21:24:29,962 but it is absent from setuptools' `packages` configuration. 2023-09-08T21:24:29,963 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T21:24:29,963 package, please make sure that 'RASPA2.share.raspa.framework' is explicitly added 2023-09-08T21:24:29,964 to the `packages` configuration field. 2023-09-08T21:24:29,965 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T21:24:29,966 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T21:24:29,966 instead of `find_packages(...)`/`find:`). 2023-09-08T21:24:29,967 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T21:24:29,968 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T21:24:29,969 If you don't want 'RASPA2.share.raspa.framework' to be distributed and are 2023-09-08T21:24:29,970 already explicitly excluding 'RASPA2.share.raspa.framework' via 2023-09-08T21:24:29,970 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T21:24:29,971 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T21:24:29,971 combination with a more fine grained `package-data` configuration. 2023-09-08T21:24:29,972 You can read more about "package data files" on setuptools documentation page: 2023-09-08T21:24:29,973 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T21:24:29,975 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T21:24:29,975 even if it does not contain any `.py` files. 2023-09-08T21:24:29,976 On the other hand, currently there is no concept of package data 2023-09-08T21:24:29,977 directory, all directories are treated like packages. 2023-09-08T21:24:29,977 ******************************************************************************** 2023-09-08T21:24:29,978 !! 2023-09-08T21:24:29,978 check.warn(importable) 2023-09-08T21:24:29,978 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.framework.Nicholas' is absent from the `packages` configuration. 2023-09-08T21:24:29,979 !! 2023-09-08T21:24:29,980 ******************************************************************************** 2023-09-08T21:24:29,980 ############################ 2023-09-08T21:24:29,980 # Package would be ignored # 2023-09-08T21:24:29,981 ############################ 2023-09-08T21:24:29,981 Python recognizes 'RASPA2.share.raspa.framework.Nicholas' as an importable package[^1], 2023-09-08T21:24:29,982 but it is absent from setuptools' `packages` configuration. 2023-09-08T21:24:29,983 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T21:24:29,983 package, please make sure that 'RASPA2.share.raspa.framework.Nicholas' is explicitly added 2023-09-08T21:24:29,983 to the `packages` configuration field. 2023-09-08T21:24:29,984 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T21:24:29,985 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T21:24:29,985 instead of `find_packages(...)`/`find:`). 2023-09-08T21:24:29,986 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T21:24:29,987 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T21:24:29,988 If you don't want 'RASPA2.share.raspa.framework.Nicholas' to be distributed and are 2023-09-08T21:24:29,989 already explicitly excluding 'RASPA2.share.raspa.framework.Nicholas' via 2023-09-08T21:24:29,989 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T21:24:29,990 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T21:24:29,990 combination with a more fine grained `package-data` configuration. 2023-09-08T21:24:29,991 You can read more about "package data files" on setuptools documentation page: 2023-09-08T21:24:29,992 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T21:24:29,994 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T21:24:29,994 even if it does not contain any `.py` files. 2023-09-08T21:24:29,995 On the other hand, currently there is no concept of package data 2023-09-08T21:24:29,995 directory, all directories are treated like packages. 2023-09-08T21:24:29,996 ******************************************************************************** 2023-09-08T21:24:29,997 !! 2023-09-08T21:24:29,997 check.warn(importable) 2023-09-08T21:24:29,997 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.framework.NicholasModified' is absent from the `packages` configuration. 2023-09-08T21:24:29,998 !! 2023-09-08T21:24:29,999 ******************************************************************************** 2023-09-08T21:24:30,000 ############################ 2023-09-08T21:24:30,000 # Package would be ignored # 2023-09-08T21:24:30,001 ############################ 2023-09-08T21:24:30,001 Python recognizes 'RASPA2.share.raspa.framework.NicholasModified' as an importable package[^1], 2023-09-08T21:24:30,002 but it is absent from setuptools' `packages` configuration. 2023-09-08T21:24:30,003 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T21:24:30,003 package, please make sure that 'RASPA2.share.raspa.framework.NicholasModified' is explicitly added 2023-09-08T21:24:30,004 to the `packages` configuration field. 2023-09-08T21:24:30,005 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T21:24:30,005 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T21:24:30,005 instead of `find_packages(...)`/`find:`). 2023-09-08T21:24:30,006 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T21:24:30,007 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T21:24:30,008 If you don't want 'RASPA2.share.raspa.framework.NicholasModified' to be distributed and are 2023-09-08T21:24:30,008 already explicitly excluding 'RASPA2.share.raspa.framework.NicholasModified' via 2023-09-08T21:24:30,009 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T21:24:30,009 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T21:24:30,010 combination with a more fine grained `package-data` configuration. 2023-09-08T21:24:30,010 You can read more about "package data files" on setuptools documentation page: 2023-09-08T21:24:30,011 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T21:24:30,013 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T21:24:30,013 even if it does not contain any `.py` files. 2023-09-08T21:24:30,013 On the other hand, currently there is no concept of package data 2023-09-08T21:24:30,014 directory, all directories are treated like packages. 2023-09-08T21:24:30,015 ******************************************************************************** 2023-09-08T21:24:30,016 !! 2023-09-08T21:24:30,016 check.warn(importable) 2023-09-08T21:24:30,017 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.molecules.CastilloVlugtCalero2009' is absent from the `packages` configuration. 2023-09-08T21:24:30,017 !! 2023-09-08T21:24:30,018 ******************************************************************************** 2023-09-08T21:24:30,018 ############################ 2023-09-08T21:24:30,019 # Package would be ignored # 2023-09-08T21:24:30,019 ############################ 2023-09-08T21:24:30,020 Python recognizes 'RASPA2.share.raspa.molecules.CastilloVlugtCalero2009' as an importable package[^1], 2023-09-08T21:24:30,020 but it is absent from setuptools' `packages` configuration. 2023-09-08T21:24:30,021 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T21:24:30,022 package, please make sure that 'RASPA2.share.raspa.molecules.CastilloVlugtCalero2009' is explicitly added 2023-09-08T21:24:30,022 to the `packages` configuration field. 2023-09-08T21:24:30,023 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T21:24:30,024 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T21:24:30,024 instead of `find_packages(...)`/`find:`). 2023-09-08T21:24:30,025 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T21:24:30,026 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T21:24:30,027 If you don't want 'RASPA2.share.raspa.molecules.CastilloVlugtCalero2009' to be distributed and are 2023-09-08T21:24:30,028 already explicitly excluding 'RASPA2.share.raspa.molecules.CastilloVlugtCalero2009' via 2023-09-08T21:24:30,028 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T21:24:30,029 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T21:24:30,030 combination with a more fine grained `package-data` configuration. 2023-09-08T21:24:30,030 You can read more about "package data files" on setuptools documentation page: 2023-09-08T21:24:30,031 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T21:24:30,033 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T21:24:30,033 even if it does not contain any `.py` files. 2023-09-08T21:24:30,033 On the other hand, currently there is no concept of package data 2023-09-08T21:24:30,034 directory, all directories are treated like packages. 2023-09-08T21:24:30,034 ******************************************************************************** 2023-09-08T21:24:30,035 !! 2023-09-08T21:24:30,036 check.warn(importable) 2023-09-08T21:24:30,036 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.molecules.EPM2' is absent from the `packages` configuration. 2023-09-08T21:24:30,036 !! 2023-09-08T21:24:30,037 ******************************************************************************** 2023-09-08T21:24:30,038 ############################ 2023-09-08T21:24:30,038 # Package would be ignored # 2023-09-08T21:24:30,039 ############################ 2023-09-08T21:24:30,039 Python recognizes 'RASPA2.share.raspa.molecules.EPM2' as an importable package[^1], 2023-09-08T21:24:30,039 but it is absent from setuptools' `packages` configuration. 2023-09-08T21:24:30,040 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T21:24:30,041 package, please make sure that 'RASPA2.share.raspa.molecules.EPM2' is explicitly added 2023-09-08T21:24:30,041 to the `packages` configuration field. 2023-09-08T21:24:30,042 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T21:24:30,043 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T21:24:30,043 instead of `find_packages(...)`/`find:`). 2023-09-08T21:24:30,044 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T21:24:30,045 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T21:24:30,046 If you don't want 'RASPA2.share.raspa.molecules.EPM2' to be distributed and are 2023-09-08T21:24:30,047 already explicitly excluding 'RASPA2.share.raspa.molecules.EPM2' via 2023-09-08T21:24:30,047 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T21:24:30,047 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T21:24:30,048 combination with a more fine grained `package-data` configuration. 2023-09-08T21:24:30,049 You can read more about "package data files" on setuptools documentation page: 2023-09-08T21:24:30,050 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T21:24:30,051 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T21:24:30,052 even if it does not contain any `.py` files. 2023-09-08T21:24:30,052 On the other hand, currently there is no concept of package data 2023-09-08T21:24:30,053 directory, all directories are treated like packages. 2023-09-08T21:24:30,053 ******************************************************************************** 2023-09-08T21:24:30,054 !! 2023-09-08T21:24:30,055 check.warn(importable) 2023-09-08T21:24:30,055 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.molecules.TraPPE' is absent from the `packages` configuration. 2023-09-08T21:24:30,056 !! 2023-09-08T21:24:30,057 ******************************************************************************** 2023-09-08T21:24:30,057 ############################ 2023-09-08T21:24:30,058 # Package would be ignored # 2023-09-08T21:24:30,058 ############################ 2023-09-08T21:24:30,058 Python recognizes 'RASPA2.share.raspa.molecules.TraPPE' as an importable package[^1], 2023-09-08T21:24:30,059 but it is absent from setuptools' `packages` configuration. 2023-09-08T21:24:30,060 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T21:24:30,060 package, please make sure that 'RASPA2.share.raspa.molecules.TraPPE' is explicitly added 2023-09-08T21:24:30,060 to the `packages` configuration field. 2023-09-08T21:24:30,061 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T21:24:30,061 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T21:24:30,062 instead of `find_packages(...)`/`find:`). 2023-09-08T21:24:30,063 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T21:24:30,064 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T21:24:30,064 If you don't want 'RASPA2.share.raspa.molecules.TraPPE' to be distributed and are 2023-09-08T21:24:30,065 already explicitly excluding 'RASPA2.share.raspa.molecules.TraPPE' via 2023-09-08T21:24:30,065 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T21:24:30,066 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T21:24:30,066 combination with a more fine grained `package-data` configuration. 2023-09-08T21:24:30,067 You can read more about "package data files" on setuptools documentation page: 2023-09-08T21:24:30,068 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T21:24:30,069 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T21:24:30,070 even if it does not contain any `.py` files. 2023-09-08T21:24:30,070 On the other hand, currently there is no concept of package data 2023-09-08T21:24:30,071 directory, all directories are treated like packages. 2023-09-08T21:24:30,071 ******************************************************************************** 2023-09-08T21:24:30,072 !! 2023-09-08T21:24:30,073 check.warn(importable) 2023-09-08T21:24:30,073 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.molecules' is absent from the `packages` configuration. 2023-09-08T21:24:30,074 !! 2023-09-08T21:24:30,075 ******************************************************************************** 2023-09-08T21:24:30,075 ############################ 2023-09-08T21:24:30,076 # Package would be ignored # 2023-09-08T21:24:30,076 ############################ 2023-09-08T21:24:30,077 Python recognizes 'RASPA2.share.raspa.molecules' as an importable package[^1], 2023-09-08T21:24:30,077 but it is absent from setuptools' `packages` configuration. 2023-09-08T21:24:30,078 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T21:24:30,078 package, please make sure that 'RASPA2.share.raspa.molecules' is explicitly added 2023-09-08T21:24:30,079 to the `packages` configuration field. 2023-09-08T21:24:30,080 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T21:24:30,081 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T21:24:30,081 instead of `find_packages(...)`/`find:`). 2023-09-08T21:24:30,082 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T21:24:30,083 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T21:24:30,084 If you don't want 'RASPA2.share.raspa.molecules' to be distributed and are 2023-09-08T21:24:30,084 already explicitly excluding 'RASPA2.share.raspa.molecules' via 2023-09-08T21:24:30,085 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T21:24:30,085 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T21:24:30,086 combination with a more fine grained `package-data` configuration. 2023-09-08T21:24:30,086 You can read more about "package data files" on setuptools documentation page: 2023-09-08T21:24:30,087 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T21:24:30,089 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T21:24:30,089 even if it does not contain any `.py` files. 2023-09-08T21:24:30,089 On the other hand, currently there is no concept of package data 2023-09-08T21:24:30,090 directory, all directories are treated like packages. 2023-09-08T21:24:30,090 ******************************************************************************** 2023-09-08T21:24:30,091 !! 2023-09-08T21:24:30,091 check.warn(importable) 2023-09-08T21:24:30,092 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.src' is absent from the `packages` configuration. 2023-09-08T21:24:30,092 !! 2023-09-08T21:24:30,093 ******************************************************************************** 2023-09-08T21:24:30,094 ############################ 2023-09-08T21:24:30,094 # Package would be ignored # 2023-09-08T21:24:30,095 ############################ 2023-09-08T21:24:30,095 Python recognizes 'RASPA2.share.raspa.src' as an importable package[^1], 2023-09-08T21:24:30,096 but it is absent from setuptools' `packages` configuration. 2023-09-08T21:24:30,096 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T21:24:30,097 package, please make sure that 'RASPA2.share.raspa.src' is explicitly added 2023-09-08T21:24:30,097 to the `packages` configuration field. 2023-09-08T21:24:30,098 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T21:24:30,099 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T21:24:30,099 instead of `find_packages(...)`/`find:`). 2023-09-08T21:24:30,100 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T21:24:30,101 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T21:24:30,102 If you don't want 'RASPA2.share.raspa.src' to be distributed and are 2023-09-08T21:24:30,103 already explicitly excluding 'RASPA2.share.raspa.src' via 2023-09-08T21:24:30,103 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T21:24:30,104 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T21:24:30,104 combination with a more fine grained `package-data` configuration. 2023-09-08T21:24:30,105 You can read more about "package data files" on setuptools documentation page: 2023-09-08T21:24:30,106 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T21:24:30,108 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T21:24:30,108 even if it does not contain any `.py` files. 2023-09-08T21:24:30,109 On the other hand, currently there is no concept of package data 2023-09-08T21:24:30,109 directory, all directories are treated like packages. 2023-09-08T21:24:30,110 ******************************************************************************** 2023-09-08T21:24:30,111 !! 2023-09-08T21:24:30,111 check.warn(importable) 2023-09-08T21:24:30,112 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.structures.block' is absent from the `packages` configuration. 2023-09-08T21:24:30,112 !! 2023-09-08T21:24:30,113 ******************************************************************************** 2023-09-08T21:24:30,114 ############################ 2023-09-08T21:24:30,114 # Package would be ignored # 2023-09-08T21:24:30,114 ############################ 2023-09-08T21:24:30,115 Python recognizes 'RASPA2.share.raspa.structures.block' as an importable package[^1], 2023-09-08T21:24:30,115 but it is absent from setuptools' `packages` configuration. 2023-09-08T21:24:30,116 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T21:24:30,117 package, please make sure that 'RASPA2.share.raspa.structures.block' is explicitly added 2023-09-08T21:24:30,117 to the `packages` configuration field. 2023-09-08T21:24:30,118 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T21:24:30,118 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T21:24:30,119 instead of `find_packages(...)`/`find:`). 2023-09-08T21:24:30,119 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T21:24:30,120 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T21:24:30,121 If you don't want 'RASPA2.share.raspa.structures.block' to be distributed and are 2023-09-08T21:24:30,122 already explicitly excluding 'RASPA2.share.raspa.structures.block' via 2023-09-08T21:24:30,122 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T21:24:30,123 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T21:24:30,123 combination with a more fine grained `package-data` configuration. 2023-09-08T21:24:30,124 You can read more about "package data files" on setuptools documentation page: 2023-09-08T21:24:30,125 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T21:24:30,127 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T21:24:30,127 even if it does not contain any `.py` files. 2023-09-08T21:24:30,128 On the other hand, currently there is no concept of package data 2023-09-08T21:24:30,128 directory, all directories are treated like packages. 2023-09-08T21:24:30,129 ******************************************************************************** 2023-09-08T21:24:30,130 !! 2023-09-08T21:24:30,130 check.warn(importable) 2023-09-08T21:24:30,131 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.structures.cif' is absent from the `packages` configuration. 2023-09-08T21:24:30,131 !! 2023-09-08T21:24:30,132 ******************************************************************************** 2023-09-08T21:24:30,133 ############################ 2023-09-08T21:24:30,133 # Package would be ignored # 2023-09-08T21:24:30,134 ############################ 2023-09-08T21:24:30,134 Python recognizes 'RASPA2.share.raspa.structures.cif' as an importable package[^1], 2023-09-08T21:24:30,135 but it is absent from setuptools' `packages` configuration. 2023-09-08T21:24:30,136 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T21:24:30,136 package, please make sure that 'RASPA2.share.raspa.structures.cif' is explicitly added 2023-09-08T21:24:30,137 to the `packages` configuration field. 2023-09-08T21:24:30,138 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T21:24:30,138 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T21:24:30,139 instead of `find_packages(...)`/`find:`). 2023-09-08T21:24:30,140 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T21:24:30,140 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T21:24:30,141 If you don't want 'RASPA2.share.raspa.structures.cif' to be distributed and are 2023-09-08T21:24:30,142 already explicitly excluding 'RASPA2.share.raspa.structures.cif' via 2023-09-08T21:24:30,142 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T21:24:30,143 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T21:24:30,143 combination with a more fine grained `package-data` configuration. 2023-09-08T21:24:30,144 You can read more about "package data files" on setuptools documentation page: 2023-09-08T21:24:30,145 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T21:24:30,146 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T21:24:30,147 even if it does not contain any `.py` files. 2023-09-08T21:24:30,147 On the other hand, currently there is no concept of package data 2023-09-08T21:24:30,147 directory, all directories are treated like packages. 2023-09-08T21:24:30,148 ******************************************************************************** 2023-09-08T21:24:30,149 !! 2023-09-08T21:24:30,149 check.warn(importable) 2023-09-08T21:24:30,150 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.structures.ions' is absent from the `packages` configuration. 2023-09-08T21:24:30,150 !! 2023-09-08T21:24:30,151 ******************************************************************************** 2023-09-08T21:24:30,152 ############################ 2023-09-08T21:24:30,152 # Package would be ignored # 2023-09-08T21:24:30,153 ############################ 2023-09-08T21:24:30,153 Python recognizes 'RASPA2.share.raspa.structures.ions' as an importable package[^1], 2023-09-08T21:24:30,154 but it is absent from setuptools' `packages` configuration. 2023-09-08T21:24:30,155 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T21:24:30,155 package, please make sure that 'RASPA2.share.raspa.structures.ions' is explicitly added 2023-09-08T21:24:30,156 to the `packages` configuration field. 2023-09-08T21:24:30,157 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T21:24:30,157 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T21:24:30,158 instead of `find_packages(...)`/`find:`). 2023-09-08T21:24:30,159 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T21:24:30,160 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T21:24:30,161 If you don't want 'RASPA2.share.raspa.structures.ions' to be distributed and are 2023-09-08T21:24:30,161 already explicitly excluding 'RASPA2.share.raspa.structures.ions' via 2023-09-08T21:24:30,162 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T21:24:30,162 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T21:24:30,163 combination with a more fine grained `package-data` configuration. 2023-09-08T21:24:30,164 You can read more about "package data files" on setuptools documentation page: 2023-09-08T21:24:30,165 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T21:24:30,166 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T21:24:30,166 even if it does not contain any `.py` files. 2023-09-08T21:24:30,167 On the other hand, currently there is no concept of package data 2023-09-08T21:24:30,167 directory, all directories are treated like packages. 2023-09-08T21:24:30,167 ******************************************************************************** 2023-09-08T21:24:30,168 !! 2023-09-08T21:24:30,169 check.warn(importable) 2023-09-08T21:24:30,169 creating build/lib.linux-armv7l-cpython-311/RASPA2/share 2023-09-08T21:24:30,169 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa 2023-09-08T21:24:30,170 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield 2023-09-08T21:24:30,170 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2023-09-08T21:24:30,171 copying ./forcefield/AmirjalayerSchmid/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2023-09-08T21:24:30,171 copying ./forcefield/AmirjalayerSchmid/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2023-09-08T21:24:30,172 copying ./forcefield/AmirjalayerSchmid/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2023-09-08T21:24:30,172 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2023-09-08T21:24:30,173 copying ./forcefield/CastilloVlugtCalero2009/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2023-09-08T21:24:30,173 copying ./forcefield/CastilloVlugtCalero2009/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2023-09-08T21:24:30,174 copying ./forcefield/CastilloVlugtCalero2009/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2023-09-08T21:24:30,174 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CoreShellCatlow 2023-09-08T21:24:30,175 copying ./forcefield/CoreShellCatlow/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CoreShellCatlow 2023-09-08T21:24:30,175 copying ./forcefield/CoreShellCatlow/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CoreShellCatlow 2023-09-08T21:24:30,176 copying ./forcefield/CoreShellCatlow/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CoreShellCatlow 2023-09-08T21:24:30,176 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2023-09-08T21:24:30,177 copying ./forcefield/CoreShellSastreGale2005/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2023-09-08T21:24:30,177 copying ./forcefield/CoreShellSastreGale2005/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2023-09-08T21:24:30,178 copying ./forcefield/CoreShellSastreGale2005/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2023-09-08T21:24:30,178 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2023-09-08T21:24:30,179 copying ./forcefield/CoreShellSchroderSauer/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2023-09-08T21:24:30,179 copying ./forcefield/CoreShellSchroderSauer/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2023-09-08T21:24:30,180 copying ./forcefield/CoreShellSchroderSauer/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2023-09-08T21:24:30,181 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CrystalGenerator 2023-09-08T21:24:30,181 copying ./forcefield/CrystalGenerator/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CrystalGenerator 2023-09-08T21:24:30,181 copying ./forcefield/CrystalGenerator/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CrystalGenerator 2023-09-08T21:24:30,182 copying ./forcefield/CrystalGenerator/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CrystalGenerator 2023-09-08T21:24:30,182 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2023-09-08T21:24:30,183 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2023-09-08T21:24:30,183 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2023-09-08T21:24:30,183 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-1/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2023-09-08T21:24:30,184 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2023-09-08T21:24:30,184 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2023-09-08T21:24:30,185 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2023-09-08T21:24:30,185 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-10/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2023-09-08T21:24:30,186 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2023-09-08T21:24:30,186 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2023-09-08T21:24:30,187 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2023-09-08T21:24:30,187 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-16/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2023-09-08T21:24:30,188 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2023-09-08T21:24:30,188 copying ./forcefield/Dubbeldam2012MIL-100/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2023-09-08T21:24:30,189 copying ./forcefield/Dubbeldam2012MIL-100/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2023-09-08T21:24:30,189 copying ./forcefield/Dubbeldam2012MIL-100/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2023-09-08T21:24:30,190 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2023-09-08T21:24:30,190 copying ./forcefield/Dubbeldam2012MIL-101/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2023-09-08T21:24:30,191 copying ./forcefield/Dubbeldam2012MIL-101/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2023-09-08T21:24:30,192 copying ./forcefield/Dubbeldam2012MIL-101/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2023-09-08T21:24:30,192 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2023-09-08T21:24:30,193 copying ./forcefield/Dzubak2012-IRMOF-1/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2023-09-08T21:24:30,193 copying ./forcefield/Dzubak2012-IRMOF-1/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2023-09-08T21:24:30,194 copying ./forcefield/Dzubak2012-IRMOF-1/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2023-09-08T21:24:30,194 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2023-09-08T21:24:30,195 copying ./forcefield/Dzubak2012-MgMOF-74/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2023-09-08T21:24:30,195 copying ./forcefield/Dzubak2012-MgMOF-74/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2023-09-08T21:24:30,196 copying ./forcefield/Dzubak2012-MgMOF-74/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2023-09-08T21:24:30,196 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2023-09-08T21:24:30,197 copying ./forcefield/Dzubak2012-MgMOF-74-extended/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2023-09-08T21:24:30,197 copying ./forcefield/Dzubak2012-MgMOF-74-extended/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2023-09-08T21:24:30,197 copying ./forcefield/Dzubak2012-MgMOF-74-extended/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2023-09-08T21:24:30,198 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2023-09-08T21:24:30,198 copying ./forcefield/Dzubak2012-ZnMOF-74/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2023-09-08T21:24:30,199 copying ./forcefield/Dzubak2012-ZnMOF-74/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2023-09-08T21:24:30,199 copying ./forcefield/Dzubak2012-ZnMOF-74/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2023-09-08T21:24:30,200 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/GarciaPerez2006 2023-09-08T21:24:30,200 copying ./forcefield/GarciaPerez2006/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/GarciaPerez2006 2023-09-08T21:24:30,201 copying ./forcefield/GarciaPerez2006/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/GarciaPerez2006 2023-09-08T21:24:30,201 copying ./forcefield/GarciaPerez2006/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/GarciaPerez2006 2023-09-08T21:24:30,202 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/GenericMOFs 2023-09-08T21:24:30,202 copying ./forcefield/GenericMOFs/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/GenericMOFs 2023-09-08T21:24:30,203 copying ./forcefield/GenericMOFs/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/GenericMOFs 2023-09-08T21:24:30,203 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/GenericZeolites 2023-09-08T21:24:30,204 copying ./forcefield/GenericZeolites/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/GenericZeolites 2023-09-08T21:24:30,205 copying ./forcefield/GenericZeolites/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/GenericZeolites 2023-09-08T21:24:30,205 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2023-09-08T21:24:30,206 copying ./forcefield/MgMOF-74-Yazaydin/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2023-09-08T21:24:30,206 copying ./forcefield/MgMOF-74-Yazaydin/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2023-09-08T21:24:30,206 copying ./forcefield/MgMOF-74-Yazaydin/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2023-09-08T21:24:30,207 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Nicholas 2023-09-08T21:24:30,207 copying ./forcefield/Nicholas/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Nicholas 2023-09-08T21:24:30,207 copying ./forcefield/Nicholas/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Nicholas 2023-09-08T21:24:30,208 copying ./forcefield/Nicholas/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Nicholas 2023-09-08T21:24:30,208 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Pascual2004 2023-09-08T21:24:30,209 copying ./forcefield/Pascual2004/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Pascual2004 2023-09-08T21:24:30,209 copying ./forcefield/Pascual2004/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Pascual2004 2023-09-08T21:24:30,210 copying ./forcefield/Pascual2004/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Pascual2004 2023-09-08T21:24:30,210 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2023-09-08T21:24:30,211 copying ./forcefield/RigidIonKramer1991/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2023-09-08T21:24:30,211 copying ./forcefield/RigidIonKramer1991/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2023-09-08T21:24:30,212 copying ./forcefield/RigidIonKramer1991/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2023-09-08T21:24:30,212 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/TraPPE 2023-09-08T21:24:30,213 copying ./forcefield/TraPPE/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/TraPPE 2023-09-08T21:24:30,213 copying ./forcefield/TraPPE/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/TraPPE 2023-09-08T21:24:30,214 copying ./forcefield/TraPPE/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/TraPPE 2023-09-08T21:24:30,214 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework 2023-09-08T21:24:30,215 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/AmirjalayerSchmid 2023-09-08T21:24:30,216 copying ./framework/AmirjalayerSchmid/framework.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/AmirjalayerSchmid 2023-09-08T21:24:30,217 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/CoreShellCatlow 2023-09-08T21:24:30,218 copying ./framework/CoreShellCatlow/framework.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/CoreShellCatlow 2023-09-08T21:24:30,218 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/CoreShellSastreGale2005 2023-09-08T21:24:30,219 copying ./framework/CoreShellSastreGale2005/framework.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/CoreShellSastreGale2005 2023-09-08T21:24:30,220 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/CoreShellSchroderSauer 2023-09-08T21:24:30,220 copying ./framework/CoreShellSchroderSauer/framework.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/CoreShellSchroderSauer 2023-09-08T21:24:30,220 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/Demontis 2023-09-08T21:24:30,221 copying ./framework/Demontis/framework.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/Demontis 2023-09-08T21:24:30,221 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/DemontisModified 2023-09-08T21:24:30,222 copying ./framework/DemontisModified/framework.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/DemontisModified 2023-09-08T21:24:30,222 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-1 2023-09-08T21:24:30,223 copying ./framework/Dubbeldam2007FlexibleIRMOF-1/framework.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-1 2023-09-08T21:24:30,223 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-10 2023-09-08T21:24:30,223 copying ./framework/Dubbeldam2007FlexibleIRMOF-10/framework.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-10 2023-09-08T21:24:30,224 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-16 2023-09-08T21:24:30,224 copying ./framework/Dubbeldam2007FlexibleIRMOF-16/framework.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-16 2023-09-08T21:24:30,225 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/Nicholas 2023-09-08T21:24:30,225 copying ./framework/Nicholas/framework.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/Nicholas 2023-09-08T21:24:30,226 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/NicholasModified 2023-09-08T21:24:30,226 copying ./framework/NicholasModified/framework.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/NicholasModified 2023-09-08T21:24:30,227 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules 2023-09-08T21:24:30,227 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2023-09-08T21:24:30,227 copying ./molecules/CastilloVlugtCalero2009/benzene.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2023-09-08T21:24:30,228 copying ./molecules/CastilloVlugtCalero2009/m-xylene.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2023-09-08T21:24:30,228 copying ./molecules/CastilloVlugtCalero2009/o-xylene.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2023-09-08T21:24:30,229 copying ./molecules/CastilloVlugtCalero2009/p-xylene.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2023-09-08T21:24:30,230 copying ./molecules/CastilloVlugtCalero2009/toluene.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2023-09-08T21:24:30,230 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/EPM2 2023-09-08T21:24:30,231 copying ./molecules/EPM2/CO2.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/EPM2 2023-09-08T21:24:30,231 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,232 copying ./molecules/TraPPE/1-butene.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,232 copying ./molecules/TraPPE/2-cis-butene.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,233 copying ./molecules/TraPPE/2-ethyl-2-hexenal-cis.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,234 copying ./molecules/TraPPE/2-ethyl-2-hexenal-trans.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,234 copying ./molecules/TraPPE/2-methylbutane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,235 copying ./molecules/TraPPE/2-methylheptane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,235 copying ./molecules/TraPPE/2-methylhexane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,236 copying ./molecules/TraPPE/2-methylpentane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,236 copying ./molecules/TraPPE/2-trans-butene.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,237 copying ./molecules/TraPPE/22-dimethylbutane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,237 copying ./molecules/TraPPE/22-dimethylhexane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,238 copying ./molecules/TraPPE/22-dimethylpentane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,238 copying ./molecules/TraPPE/223-trimethylbutane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,239 copying ./molecules/TraPPE/224-trimethylpentane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,239 copying ./molecules/TraPPE/22dmC8.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,240 copying ./molecules/TraPPE/23-dimethylbutane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,240 copying ./molecules/TraPPE/23-dimethylhexane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,241 copying ./molecules/TraPPE/23-dimethylpentane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,241 copying ./molecules/TraPPE/24-dimethylhexane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,242 copying ./molecules/TraPPE/24-dimethylpentane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,242 copying ./molecules/TraPPE/24dmC8.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,243 copying ./molecules/TraPPE/25-dimethylhexane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,243 copying ./molecules/TraPPE/27dmC8.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,244 copying ./molecules/TraPPE/2mC9.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,244 copying ./molecules/TraPPE/3-methylheptane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,245 copying ./molecules/TraPPE/3-methylhexane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,245 copying ./molecules/TraPPE/3-methylpentane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,246 copying ./molecules/TraPPE/33-dimethylhexane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,246 copying ./molecules/TraPPE/33-dimethylpentane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,247 copying ./molecules/TraPPE/3mC9.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,247 copying ./molecules/TraPPE/4-methylheptane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,248 copying ./molecules/TraPPE/44methylethyloctane_L.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,248 copying ./molecules/TraPPE/44methylethyloctane_R.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,249 copying ./molecules/TraPPE/4mC9.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,249 copying ./molecules/TraPPE/AsH3.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,249 copying ./molecules/TraPPE/BDC.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,250 copying ./molecules/TraPPE/C1.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,250 copying ./molecules/TraPPE/C10.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,251 copying ./molecules/TraPPE/C11.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,251 copying ./molecules/TraPPE/C12.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,252 copying ./molecules/TraPPE/C13.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,252 copying ./molecules/TraPPE/C14.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,252 copying ./molecules/TraPPE/C15.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,253 copying ./molecules/TraPPE/C16.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,253 copying ./molecules/TraPPE/C17.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,254 copying ./molecules/TraPPE/C18.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,254 copying ./molecules/TraPPE/C19.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,255 copying ./molecules/TraPPE/C2.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,255 copying ./molecules/TraPPE/C20.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,256 copying ./molecules/TraPPE/C21.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,256 copying ./molecules/TraPPE/C22.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,257 copying ./molecules/TraPPE/C23.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,257 copying ./molecules/TraPPE/C24.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,258 copying ./molecules/TraPPE/C25.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,258 copying ./molecules/TraPPE/C26.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,259 copying ./molecules/TraPPE/C27.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,259 copying ./molecules/TraPPE/C28.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,259 copying ./molecules/TraPPE/C2H2.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,260 copying ./molecules/TraPPE/C3.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,260 copying ./molecules/TraPPE/C4.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,261 copying ./molecules/TraPPE/C5.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,261 copying ./molecules/TraPPE/C6.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,262 copying ./molecules/TraPPE/C7.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,262 copying ./molecules/TraPPE/C8.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,263 copying ./molecules/TraPPE/C9.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,263 copying ./molecules/TraPPE/CO2.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,264 copying ./molecules/TraPPE/Cl.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,265 copying ./molecules/TraPPE/H2.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,267 copying ./molecules/TraPPE/H2S.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,269 copying ./molecules/TraPPE/IonN.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,271 copying ./molecules/TraPPE/IonP.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,273 copying ./molecules/TraPPE/LJ1.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,275 copying ./molecules/TraPPE/LJ2.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,277 copying ./molecules/TraPPE/N2.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,279 copying ./molecules/TraPPE/Na.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,280 copying ./molecules/TraPPE/NaCl.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,282 copying ./molecules/TraPPE/O2.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,284 copying ./molecules/TraPPE/PH3.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,286 copying ./molecules/TraPPE/argon.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,288 copying ./molecules/TraPPE/benzene.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,290 copying ./molecules/TraPPE/butane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,292 copying ./molecules/TraPPE/calcium.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,294 copying ./molecules/TraPPE/chloride.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,296 copying ./molecules/TraPPE/chromene_R_flexible.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,299 copying ./molecules/TraPPE/decane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,301 copying ./molecules/TraPPE/dimethylpropane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,303 copying ./molecules/TraPPE/dodecane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,305 copying ./molecules/TraPPE/ethane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,307 copying ./molecules/TraPPE/ethanol.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,309 copying ./molecules/TraPPE/ethene.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,311 copying ./molecules/TraPPE/formaldehyde.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,313 copying ./molecules/TraPPE/helium.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,314 copying ./molecules/TraPPE/heptane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,316 copying ./molecules/TraPPE/hexadecane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,318 copying ./molecules/TraPPE/hexane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,320 copying ./molecules/TraPPE/hydrogen.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,322 copying ./molecules/TraPPE/isobutane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,324 copying ./molecules/TraPPE/isooctane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,326 copying ./molecules/TraPPE/kalium.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,328 copying ./molecules/TraPPE/krypton.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,330 copying ./molecules/TraPPE/methane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,332 copying ./molecules/TraPPE/methanol.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,333 copying ./molecules/TraPPE/neopentane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,335 copying ./molecules/TraPPE/nonane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,337 copying ./molecules/TraPPE/none.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,339 copying ./molecules/TraPPE/octane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,341 copying ./molecules/TraPPE/pentane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,343 copying ./molecules/TraPPE/propane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,345 copying ./molecules/TraPPE/propene.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,347 copying ./molecules/TraPPE/sodium.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,349 copying ./molecules/TraPPE/undecane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,351 copying ./molecules/TraPPE/water.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,353 copying ./molecules/TraPPE/xenon.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T21:24:30,355 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE-EH 2023-09-08T21:24:30,356 copying ./molecules/TraPPE-EH/methane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE-EH 2023-09-08T21:24:30,358 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE-UA 2023-09-08T21:24:30,359 copying ./molecules/TraPPE-UA/2-methylbutane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE-UA 2023-09-08T21:24:30,361 copying ./molecules/TraPPE-UA/2-methylpentane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE-UA 2023-09-08T21:24:30,363 copying ./molecules/TraPPE-UA/CO2.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE-UA 2023-09-08T21:24:30,365 copying ./molecules/TraPPE-UA/butane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE-UA 2023-09-08T21:24:30,367 copying ./molecules/TraPPE-UA/dimethylpropane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE-UA 2023-09-08T21:24:30,369 copying ./molecules/TraPPE-UA/ethane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE-UA 2023-09-08T21:24:30,371 copying ./molecules/TraPPE-UA/heptane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE-UA 2023-09-08T21:24:30,373 copying ./molecules/TraPPE-UA/isobutane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE-UA 2023-09-08T21:24:30,375 copying ./molecules/TraPPE-UA/methane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE-UA 2023-09-08T21:24:30,376 copying ./molecules/TraPPE-UA/pentane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE-UA 2023-09-08T21:24:30,378 copying ./molecules/TraPPE-UA/propane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE-UA 2023-09-08T21:24:30,380 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,381 copying ./src/cbmc.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,386 copying ./src/cbmc.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,388 copying ./src/charge_equilibration.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,391 copying ./src/charge_equilibration.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,393 copying ./src/complex.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,395 copying ./src/complex.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,398 copying ./src/constants.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,400 copying ./src/constants.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,402 copying ./src/cubic_spline_1d.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,405 copying ./src/cubic_spline_1d.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,407 copying ./src/equations_of_state.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,410 copying ./src/equations_of_state.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,412 copying ./src/ewald.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,429 copying ./src/ewald.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,431 copying ./src/framework.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,445 copying ./src/framework.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,448 copying ./src/framework_born.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,454 copying ./src/framework_born.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,456 copying ./src/framework_energy.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,465 copying ./src/framework_energy.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,467 copying ./src/framework_force.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,476 copying ./src/framework_force.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,478 copying ./src/framework_hessian.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,490 copying ./src/framework_hessian.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,492 copying ./src/grids.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,496 copying ./src/grids.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,498 copying ./src/input.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,507 copying ./src/input.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,509 copying ./src/integrate.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,511 copying ./src/integrate.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,513 copying ./src/integration.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,517 copying ./src/integration.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,520 copying ./src/inter_born.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,523 copying ./src/inter_born.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,525 copying ./src/inter_energy.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,532 copying ./src/inter_energy.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,534 copying ./src/inter_force.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,540 copying ./src/inter_force.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,542 copying ./src/inter_hessian.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,551 copying ./src/inter_hessian.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,554 copying ./src/internal_born.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,562 copying ./src/internal_born.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,564 copying ./src/internal_energy.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,571 copying ./src/internal_energy.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,574 copying ./src/internal_force.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,582 copying ./src/internal_force.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,585 copying ./src/internal_hessian.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,599 copying ./src/internal_hessian.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,602 copying ./src/linear_equations.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,604 copying ./src/linear_equations.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,607 copying ./src/main.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,609 copying ./src/matrix.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,612 copying ./src/matrix.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,615 copying ./src/mc_moves.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,644 copying ./src/mc_moves.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,647 copying ./src/minimization.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,656 copying ./src/minimization.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,659 copying ./src/minimization_simulation.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,662 copying ./src/minimization_simulation.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,665 copying ./src/molecular_dynamics.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,669 copying ./src/molecular_dynamics.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,673 copying ./src/molecule.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,687 copying ./src/molecule.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,691 copying ./src/molecule_properties.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,694 copying ./src/molecule_properties.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,697 copying ./src/monte_carlo.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,703 copying ./src/monte_carlo.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,706 copying ./src/movies.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,712 copying ./src/movies.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,715 copying ./src/numerical.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,730 copying ./src/numerical.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,733 copying ./src/output.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,750 copying ./src/output.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,753 copying ./src/potentials.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,771 copying ./src/potentials.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,774 copying ./src/recrossing.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,777 copying ./src/recrossing.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,778 copying ./src/rigid.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,785 copying ./src/rigid.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,787 copying ./src/run.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,789 copying ./src/run.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,791 copying ./src/sample.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,802 copying ./src/sample.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,805 copying ./src/scattering_factors.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,809 copying ./src/scattering_factors.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,811 copying ./src/simulation.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,815 copying ./src/simulation.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,817 copying ./src/spacegroup.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,867 copying ./src/spacegroup.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,869 copying ./src/spectra.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,874 copying ./src/spectra.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,876 copying ./src/statistics.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,883 copying ./src/statistics.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,885 copying ./src/status.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,894 copying ./src/status.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,896 copying ./src/thermo_baro_stats.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,901 copying ./src/thermo_baro_stats.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,903 copying ./src/utils.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,906 copying ./src/utils.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,908 copying ./src/vector.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,910 copying ./src/vector.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,912 copying ./src/warnings.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,914 copying ./src/warnings.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T21:24:30,916 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures 2023-09-08T21:24:30,917 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T21:24:30,917 copying ./structures/block/ATS.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T21:24:30,920 copying ./structures/block/BOG_SI.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T21:24:30,922 copying ./structures/block/CHA_SI.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T21:24:30,923 copying ./structures/block/DDR.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T21:24:30,925 copying ./structures/block/DDR_ortho.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T21:24:30,927 copying ./structures/block/ERI_SI.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T21:24:30,929 copying ./structures/block/FAU.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T21:24:30,931 copying ./structures/block/FER.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T21:24:30,934 copying ./structures/block/GME.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T21:24:30,935 copying ./structures/block/ITQ-12.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T21:24:30,937 copying ./structures/block/ITQ-29.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T21:24:30,939 copying ./structures/block/ITQ-3.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T21:24:30,941 copying ./structures/block/LTA_SI.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T21:24:30,944 copying ./structures/block/LTL_SI.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T21:24:30,945 copying ./structures/block/MFI_Olson.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T21:24:30,947 copying ./structures/block/MFI_SI.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T21:24:30,949 copying ./structures/block/MFI_mono.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T21:24:30,951 copying ./structures/block/MOR_SI.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T21:24:30,954 copying ./structures/block/MTW.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T21:24:30,956 copying ./structures/block/TON.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T21:24:30,958 copying ./structures/block/test.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T21:24:30,960 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:30,961 copying ./structures/cif/AEL.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:30,963 copying ./structures/cif/AFI_SI.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:30,965 copying ./structures/cif/AFX_SI.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:30,967 copying ./structures/cif/ATS.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:30,969 copying ./structures/cif/AlPO-17.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:30,971 copying ./structures/cif/AlPO-5.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:30,973 copying ./structures/cif/BEA.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:30,975 copying ./structures/cif/BOG_SI.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:30,977 copying ./structures/cif/CAN-12.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:30,979 copying ./structures/cif/CFI.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:30,981 copying ./structures/cif/CHA_SI.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:30,983 copying ./structures/cif/CHA_SI_mono.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:30,985 copying ./structures/cif/COF-1.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:30,987 copying ./structures/cif/COF-102.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:30,989 copying ./structures/cif/COF-103.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:30,991 copying ./structures/cif/COF-105.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:30,993 copying ./structures/cif/COF-108.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:30,995 copying ./structures/cif/COF-202.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:30,997 copying ./structures/cif/COF-300.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,000 copying ./structures/cif/COF-5.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,002 copying ./structures/cif/CON.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,004 copying ./structures/cif/Cd3BTB2.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,006 copying ./structures/cif/Co(2,6-NDP).cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,008 copying ./structures/cif/Co-DOBDC.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,010 copying ./structures/cif/CoBDP-Dubbeldam.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,013 copying ./structures/cif/CoBDP.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,015 copying ./structures/cif/Cu-BTC.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,017 copying ./structures/cif/DDR.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,020 copying ./structures/cif/DON.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,022 copying ./structures/cif/EMT.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,024 copying ./structures/cif/ERI_SI.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,026 copying ./structures/cif/FAU_SI.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,029 copying ./structures/cif/FER.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,031 copying ./structures/cif/GME.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,033 copying ./structures/cif/IRMOF-1-Ar.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,035 copying ./structures/cif/IRMOF-1.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,037 copying ./structures/cif/IRMOF-10.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,040 copying ./structures/cif/IRMOF-11.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,045 copying ./structures/cif/IRMOF-12.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,048 copying ./structures/cif/IRMOF-13.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,050 copying ./structures/cif/IRMOF-14.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,053 copying ./structures/cif/IRMOF-15.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,055 copying ./structures/cif/IRMOF-16.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,058 copying ./structures/cif/IRMOF-2.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,061 copying ./structures/cif/IRMOF-3.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,064 copying ./structures/cif/IRMOF-4.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,067 copying ./structures/cif/IRMOF-5.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,071 copying ./structures/cif/IRMOF-6.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,074 copying ./structures/cif/IRMOF-7.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,077 copying ./structures/cif/IRMOF-8.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,080 copying ./structures/cif/IRMOF-9.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,082 copying ./structures/cif/ISV.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,085 copying ./structures/cif/ITQ-1.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,087 copying ./structures/cif/ITQ-12.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,089 copying ./structures/cif/ITQ-29.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,091 copying ./structures/cif/ITQ-3.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,093 copying ./structures/cif/ITQ-7.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,095 copying ./structures/cif/KFI.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,098 copying ./structures/cif/LAU.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,100 copying ./structures/cif/LEV.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,103 copying ./structures/cif/LTA4A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,105 copying ./structures/cif/LTA5A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,108 copying ./structures/cif/LTA_SI.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,110 copying ./structures/cif/LTL_SI.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,112 copying ./structures/cif/MAF-X8.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,115 copying ./structures/cif/MAZ.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,117 copying ./structures/cif/MEI.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,119 copying ./structures/cif/MEL.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,121 copying ./structures/cif/MFI_SI.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,123 copying ./structures/cif/MFI_SI_Olson.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,125 copying ./structures/cif/MFI_SI_mono.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,127 copying ./structures/cif/MFI_para.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,130 copying ./structures/cif/MFS.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,132 copying ./structures/cif/MIL-100-primitive.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,137 copying ./structures/cif/MIL-100.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,150 copying ./structures/cif/MIL-101-primitive.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,156 copying ./structures/cif/MIL-101.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,177 copying ./structures/cif/MIL-140A-DFT.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,179 copying ./structures/cif/MIL-140B-DFT.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,181 copying ./structures/cif/MIL-140C-DFT.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,183 copying ./structures/cif/MIL-140D-DFT.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,185 copying ./structures/cif/MIL-47.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,187 copying ./structures/cif/MIL-53(Cr)ht.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,189 copying ./structures/cif/MIL-53(Cr)lt.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,191 copying ./structures/cif/MIL-88A-dry.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,194 copying ./structures/cif/MIL-88A-open.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,196 copying ./structures/cif/MIL-88B-dry.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,198 copying ./structures/cif/MIL-88B-open.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,200 copying ./structures/cif/MIL-88C-dry.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,202 copying ./structures/cif/MIL-88C-open.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,204 copying ./structures/cif/MIL-88D-dry.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,206 copying ./structures/cif/MIL-88D-open.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,208 copying ./structures/cif/MOF-1-Dybtsev-dmol.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,210 copying ./structures/cif/MOF-177.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,212 copying ./structures/cif/MOF-177_ortho.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,216 copying ./structures/cif/MOF-200.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,219 copying ./structures/cif/MOF-205.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,222 copying ./structures/cif/MOF-210-primitive.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,224 copying ./structures/cif/MOF-210.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,227 copying ./structures/cif/MOF-69c.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,229 copying ./structures/cif/MOF-70.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,231 copying ./structures/cif/MOF-72.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,233 copying ./structures/cif/MOR_SI.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,235 copying ./structures/cif/MTW_SI.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,237 copying ./structures/cif/Mg-DOBDC.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,239 copying ./structures/cif/MgMOF-74-VASP.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,241 copying ./structures/cif/MgMOF-74-extended-VASP.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,243 copying ./structures/cif/MgMOF-74.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,245 copying ./structures/cif/NU-100SP-primitive.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,248 copying ./structures/cif/NU-100SP.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,253 copying ./structures/cif/NU-108-Cu-primitive.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,256 copying ./structures/cif/NU-108-Cu.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,258 copying ./structures/cif/NU-108-Zn.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,261 copying ./structures/cif/NaX.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,263 copying ./structures/cif/Ni-DOBDC.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,265 copying ./structures/cif/OFF.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,267 copying ./structures/cif/PAU.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,270 copying ./structures/cif/PCN-60.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,272 copying ./structures/cif/PCN-61.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,274 copying ./structures/cif/PCN-68-primitive.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,277 copying ./structures/cif/PCN-68.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,279 copying ./structures/cif/RHO.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,282 copying ./structures/cif/SAPO-47.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,284 copying ./structures/cif/SAPO-56.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,286 copying ./structures/cif/SFF.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,288 copying ./structures/cif/SOD.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,290 copying ./structures/cif/STF.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,292 copying ./structures/cif/SWNT-1-14.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,294 copying ./structures/cif/SWNT-1-23.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,299 copying ./structures/cif/SWNT-10-11.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,303 copying ./structures/cif/SWNT-10-13.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,307 copying ./structures/cif/SWNT-11-18.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,311 copying ./structures/cif/SWNT-3-11.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,314 copying ./structures/cif/SWNT-3-20.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,318 copying ./structures/cif/SWNT-3-9.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,321 copying ./structures/cif/SWNT-4-14.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,323 copying ./structures/cif/TON.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,325 copying ./structures/cif/UIO-66.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,328 copying ./structures/cif/UMCM-1.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,331 copying ./structures/cif/VFI.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,333 copying ./structures/cif/ZIF-1.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,335 copying ./structures/cif/ZIF-10.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,338 copying ./structures/cif/ZIF-11.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,341 copying ./structures/cif/ZIF-12.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,345 copying ./structures/cif/ZIF-2.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,347 copying ./structures/cif/ZIF-20.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,353 copying ./structures/cif/ZIF-3.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,355 copying ./structures/cif/ZIF-4.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,357 copying ./structures/cif/ZIF-5.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,359 copying ./structures/cif/ZIF-6.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,361 copying ./structures/cif/ZIF-68.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,363 copying ./structures/cif/ZIF-69-crystal.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,366 copying ./structures/cif/ZIF-69.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,369 copying ./structures/cif/ZIF-7.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,371 copying ./structures/cif/ZIF-71.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,373 copying ./structures/cif/ZIF-77.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,375 copying ./structures/cif/ZIF-8.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,377 copying ./structures/cif/ZIF-80.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,379 copying ./structures/cif/ZIF-9.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,381 copying ./structures/cif/ZIF-90.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,383 copying ./structures/cif/ZIF-93.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,385 copying ./structures/cif/ZIF-96.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,387 copying ./structures/cif/ZIF-97.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,390 copying ./structures/cif/Zn-DOBDC.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,392 copying ./structures/cif/ZnBDC.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,394 copying ./structures/cif/ZnBDCdabco.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,395 copying ./structures/cif/ZnHBDC.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,398 copying ./structures/cif/ZnMOF-74-VASP.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,399 copying ./structures/cif/ZnMOF-74.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,401 copying ./structures/cif/Zr-TPDC.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,405 copying ./structures/cif/alpha-quartz.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,406 copying ./structures/cif/coesite.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,408 copying ./structures/cif/graphite-sheet-10.25A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,412 copying ./structures/cif/graphite-sheet-10.65A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,415 copying ./structures/cif/graphite-sheet-11.0A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,419 copying ./structures/cif/graphite-sheet-11.36A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,422 copying ./structures/cif/graphite-sheet-12.0A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,426 copying ./structures/cif/graphite-sheet-12.78A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,429 copying ./structures/cif/graphite-sheet-13.25A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,433 copying ./structures/cif/graphite-sheet-13.75A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,437 copying ./structures/cif/graphite-sheet-14.2A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,441 copying ./structures/cif/graphite-sheet-15.0A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,444 copying ./structures/cif/graphite-sheet-15.62A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,448 copying ./structures/cif/graphite-sheet-17.04A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,452 copying ./structures/cif/graphite-sheet-18.46A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,456 copying ./structures/cif/graphite-sheet-19.88A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,461 copying ./structures/cif/graphite-sheet-8.52A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,464 copying ./structures/cif/graphite-sheet-9.0A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,469 copying ./structures/cif/graphite-sheet-9.5A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,474 copying ./structures/cif/graphite-sheet-9.94A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,478 copying ./structures/cif/graphite-square-channel-11.36A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,487 copying ./structures/cif/graphite-square-channel-12.78A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,497 copying ./structures/cif/graphite-square-channel-14.2A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,506 copying ./structures/cif/graphite-square-channel-15.62A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,516 copying ./structures/cif/graphite-square-channel-17.04A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,526 copying ./structures/cif/graphite-square-channel-18.46A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,535 copying ./structures/cif/graphite-square-channel-19.88A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,545 copying ./structures/cif/graphite-square-channel-8.52A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,553 copying ./structures/cif/graphite-square-channel-9.94A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,560 copying ./structures/cif/graphite.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,563 copying ./structures/cif/graphite_ortho.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,565 copying ./structures/cif/quartz.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T21:24:31,568 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/ions 2023-09-08T21:24:31,569 copying ./structures/ions/IRMOF-1-Ar.ions -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/ions 2023-09-08T21:24:31,575 running build_ext 2023-09-08T21:24:32,111 building 'RASPA2.simulations.lib.libraspa2' extension 2023-09-08T21:24:32,113 creating build/temp.linux-armv7l-cpython-311 2023-09-08T21:24:32,113 creating build/temp.linux-armv7l-cpython-311/src 2023-09-08T21:24:32,115 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/cbmc.c -o build/temp.linux-armv7l-cpython-311/src/cbmc.o 2023-09-08T21:24:32,408 src/cbmc.c: In function ‘GrowReservoirMolecule’: 2023-09-08T21:24:32,411 src/cbmc.c:3184:7: warning: unused variable ‘StartingBead’ [-Wunused-variable] 2023-09-08T21:24:32,412 3184 | int StartingBead; 2023-09-08T21:24:32,413 | ^~~~~~~~~~~~ 2023-09-08T21:24:32,414 src/cbmc.c:3182:8: warning: unused variable ‘PreFactor’ [-Wunused-variable] 2023-09-08T21:24:32,415 3182 | REAL PreFactor; 2023-09-08T21:24:32,415 | ^~~~~~~~~ 2023-09-08T21:24:32,418 src/cbmc.c: In function ‘GrowReservoirMolecules’: 2023-09-08T21:24:32,421 src/cbmc.c:3285:7: warning: unused variable ‘StartingBead’ [-Wunused-variable] 2023-09-08T21:24:32,421 3285 | int StartingBead,mol_index; 2023-09-08T21:24:32,422 | ^~~~~~~~~~~~ 2023-09-08T21:24:32,424 src/cbmc.c:3283:8: warning: unused variable ‘PreFactor’ [-Wunused-variable] 2023-09-08T21:24:32,425 3283 | REAL PreFactor; 2023-09-08T21:24:32,425 | ^~~~~~~~~ 2023-09-08T21:24:32,428 src/cbmc.c: In function ‘GrowReservoirMolecules2’: 2023-09-08T21:24:32,431 src/cbmc.c:3395:7: warning: unused variable ‘StartingBead’ [-Wunused-variable] 2023-09-08T21:24:32,431 3395 | int StartingBead,mol_index; 2023-09-08T21:24:32,432 | ^~~~~~~~~~~~ 2023-09-08T21:24:32,434 src/cbmc.c:3393:8: warning: unused variable ‘PreFactor’ [-Wunused-variable] 2023-09-08T21:24:32,435 3393 | REAL PreFactor; 2023-09-08T21:24:32,435 | ^~~~~~~~~ 2023-09-08T21:24:32,583 src/cbmc.c: At top level: 2023-09-08T21:24:32,583 src/cbmc.c:326:13: warning: ‘EnergyCationPermanentDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2023-09-08T21:24:32,584 326 | static REAL EnergyCationPermanentDipolePermanentDipoleFirstBead; 2023-09-08T21:24:32,584 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:24:32,585 src/cbmc.c:325:13: warning: ‘EnergyAdsorbatePermanentDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2023-09-08T21:24:32,586 325 | static REAL EnergyAdsorbatePermanentDipolePermanentDipoleFirstBead; 2023-09-08T21:24:32,587 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:24:32,588 src/cbmc.c:324:13: warning: ‘EnergyHostPermanentDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2023-09-08T21:24:32,588 324 | static REAL EnergyHostPermanentDipolePermanentDipoleFirstBead; 2023-09-08T21:24:32,589 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:24:32,590 src/cbmc.c:323:13: warning: ‘EnergyCationBondDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2023-09-08T21:24:32,591 323 | static REAL EnergyCationBondDipolePermanentDipoleFirstBead; 2023-09-08T21:24:32,591 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:24:32,592 src/cbmc.c:322:13: warning: ‘EnergyAdsorbateBondDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2023-09-08T21:24:32,593 322 | static REAL EnergyAdsorbateBondDipolePermanentDipoleFirstBead; 2023-09-08T21:24:32,593 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:24:32,594 src/cbmc.c:321:13: warning: ‘EnergyHostBondDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2023-09-08T21:24:32,594 321 | static REAL EnergyHostBondDipolePermanentDipoleFirstBead; 2023-09-08T21:24:32,595 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:24:32,595 src/cbmc.c:317:13: warning: ‘EnergyCationChargePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2023-09-08T21:24:32,596 317 | static REAL EnergyCationChargePermanentDipoleFirstBead; 2023-09-08T21:24:32,596 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:24:32,597 src/cbmc.c:316:13: warning: ‘EnergyAdsorbateChargePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2023-09-08T21:24:32,597 316 | static REAL EnergyAdsorbateChargePermanentDipoleFirstBead; 2023-09-08T21:24:32,598 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:24:32,599 src/cbmc.c:315:13: warning: ‘EnergyHostChargePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2023-09-08T21:24:32,599 315 | static REAL EnergyHostChargePermanentDipoleFirstBead; 2023-09-08T21:24:32,600 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:24:32,600 src/cbmc.c:187:13: warning: ‘IntraPermanentDipoles’ defined but not used [-Wunused-variable] 2023-09-08T21:24:32,601 187 | static int *IntraPermanentDipoles; 2023-09-08T21:24:32,601 | ^~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:24:32,601 src/cbmc.c:186:12: warning: ‘NumberOfIntraPermanentDipoles’ defined but not used [-Wunused-variable] 2023-09-08T21:24:32,602 186 | static int NumberOfIntraPermanentDipoles; 2023-09-08T21:24:32,602 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:24:41,463 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/charge_equilibration.c -o build/temp.linux-armv7l-cpython-311/src/charge_equilibration.o 2023-09-08T21:24:41,681 src/charge_equilibration.c: In function ‘SolveMatrix’: 2023-09-08T21:24:41,682 src/charge_equilibration.c:634:8: warning: variable ‘aii’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:41,682 634 | REAL aii,alpha,f,ak; 2023-09-08T21:24:41,683 | ^~~ 2023-09-08T21:24:42,909 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/complex.c -o build/temp.linux-armv7l-cpython-311/src/complex.o 2023-09-08T21:24:43,191 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/constants.c -o build/temp.linux-armv7l-cpython-311/src/constants.o 2023-09-08T21:24:43,573 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/cubic_spline_1d.c -o build/temp.linux-armv7l-cpython-311/src/cubic_spline_1d.o 2023-09-08T21:24:43,710 src/cubic_spline_1d.c: In function ‘Trapezoidal’: 2023-09-08T21:24:43,710 src/cubic_spline_1d.c:157:18: warning: variable ‘tmp3’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:43,711 157 | REAL tmp1,tmp2,tmp3; 2023-09-08T21:24:43,712 | ^~~~ 2023-09-08T21:24:43,712 src/cubic_spline_1d.c:157:13: warning: variable ‘tmp2’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:43,713 157 | REAL tmp1,tmp2,tmp3; 2023-09-08T21:24:43,714 | ^~~~ 2023-09-08T21:24:43,714 src/cubic_spline_1d.c: In function ‘TrapezoidalWeight’: 2023-09-08T21:24:43,715 src/cubic_spline_1d.c:236:18: warning: variable ‘tmp3’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:43,716 236 | REAL tmp1,tmp2,tmp3; 2023-09-08T21:24:43,716 | ^~~~ 2023-09-08T21:24:43,717 src/cubic_spline_1d.c:236:13: warning: variable ‘tmp2’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:43,718 236 | REAL tmp1,tmp2,tmp3; 2023-09-08T21:24:43,718 | ^~~~ 2023-09-08T21:24:43,719 src/cubic_spline_1d.c:235:15: warning: variable ‘valueb’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:43,720 235 | REAL valuea,valueb; 2023-09-08T21:24:43,720 | ^~~~~~ 2023-09-08T21:24:43,721 src/cubic_spline_1d.c:235:8: warning: variable ‘valuea’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:43,722 235 | REAL valuea,valueb; 2023-09-08T21:24:43,722 | ^~~~~~ 2023-09-08T21:24:43,743 src/cubic_spline_1d.c: In function ‘CreateCubicFittingSpline’: 2023-09-08T21:24:43,744 src/cubic_spline_1d.c:891:7: warning: variable ‘error’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:43,745 891 | int error=7,i; 2023-09-08T21:24:43,745 | ^~~~~ 2023-09-08T21:24:45,639 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/equations_of_state.c -o build/temp.linux-armv7l-cpython-311/src/equations_of_state.o 2023-09-08T21:24:46,917 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/ewald.c -o build/temp.linux-armv7l-cpython-311/src/ewald.o 2023-09-08T21:24:47,119 src/ewald.c: In function ‘EwaldEnergyIon’: 2023-09-08T21:24:47,120 src/ewald.c:617:11: warning: variable ‘kvecs’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:47,121 617 | VECTOR *kvecs; 2023-09-08T21:24:47,121 | ^~~~~ 2023-09-08T21:24:47,140 src/ewald.c: In function ‘PrecomputeFixedEwaldContributions’: 2023-09-08T21:24:47,141 src/ewald.c:746:29: warning: variable ‘nr_of_coulombic_sites_framework’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:47,141 746 | int nr_of_coulombic_sites,nr_of_coulombic_sites_framework,nr_of_coulombic_sites_adsorbate,nr_of_coulombic_sites_cation; 2023-09-08T21:24:47,142 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:24:47,142 src/ewald.c:741:13: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:47,143 741 | REAL temp,alpha,charge; 2023-09-08T21:24:47,143 | ^~~~~ 2023-09-08T21:24:47,160 src/ewald.c: In function ‘PrecomputeTotalEwaldContributions’: 2023-09-08T21:24:47,162 src/ewald.c:1286:13: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:47,162 1286 | REAL temp,alpha,ksqr,recip_cutoff,charge; 2023-09-08T21:24:47,163 | ^~~~~ 2023-09-08T21:24:47,200 src/ewald.c: In function ‘EwaldFourierEnergy’: 2023-09-08T21:24:47,202 src/ewald.c:1780:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:47,202 1780 | REAL Bt0,Bt1,Bt2,cosA,cosB,cosAB,scaling,scalingA,scalingB; 2023-09-08T21:24:47,203 | ^~~ 2023-09-08T21:24:47,204 src/ewald.c:1758:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:47,205 1758 | int nvec,type_mol,type,typeA,typeB; 2023-09-08T21:24:47,205 | ^~~~~ 2023-09-08T21:24:47,206 src/ewald.c:1758:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:47,207 1758 | int nvec,type_mol,type,typeA,typeB; 2023-09-08T21:24:47,208 | ^~~~~ 2023-09-08T21:24:47,276 src/ewald.c: In function ‘EwaldFourierForce’: 2023-09-08T21:24:47,279 src/ewald.c:2813:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:47,280 2813 | int nvec,type_mol,type,typeA,typeB; 2023-09-08T21:24:47,280 | ^~~~~ 2023-09-08T21:24:47,283 src/ewald.c:2813:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:47,283 2813 | int nvec,type_mol,type,typeA,typeB; 2023-09-08T21:24:47,284 | ^~~~~ 2023-09-08T21:24:47,368 src/ewald.c: In function ‘EwaldFourierBornTerm’: 2023-09-08T21:24:47,373 src/ewald.c:4752:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:47,373 4752 | int nvec,type_mol,type,typeA,typeB; 2023-09-08T21:24:47,374 | ^~~~~ 2023-09-08T21:24:47,378 src/ewald.c:4752:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:47,379 4752 | int nvec,type_mol,type,typeA,typeB; 2023-09-08T21:24:47,380 | ^~~~~ 2023-09-08T21:24:47,416 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbate’: 2023-09-08T21:24:47,423 src/ewald.c:6853:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:47,423 6853 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2023-09-08T21:24:47,424 | ^~~ 2023-09-08T21:24:47,459 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbateRXMC’: 2023-09-08T21:24:47,467 src/ewald.c:7588:7: warning: unused variable ‘typeA’ [-Wunused-variable] 2023-09-08T21:24:47,468 7588 | int typeA; 2023-09-08T21:24:47,468 | ^~~~~ 2023-09-08T21:24:47,476 src/ewald.c:7582:7: warning: variable ‘considered_charged’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:47,476 7582 | int considered_charged; 2023-09-08T21:24:47,477 | ^~~~~~~~~~~~~~~~~~ 2023-09-08T21:24:47,484 src/ewald.c:7581:9: warning: unused variable ‘atom_pointer’ [-Wunused-variable] 2023-09-08T21:24:47,485 7581 | ATOM *atom_pointer; 2023-09-08T21:24:47,485 | ^~~~~~~~~~~~ 2023-09-08T21:24:47,493 src/ewald.c:7580:8: warning: unused variable ‘pair’ [-Wunused-variable] 2023-09-08T21:24:47,493 7580 | PAIR pair; 2023-09-08T21:24:47,494 | ^~~~ 2023-09-08T21:24:47,501 src/ewald.c:7577:28: warning: unused variable ‘posB2’ [-Wunused-variable] 2023-09-08T21:24:47,502 7577 | VECTOR posA1,posA2,posB1,posB2; 2023-09-08T21:24:47,502 | ^~~~~ 2023-09-08T21:24:47,509 src/ewald.c:7577:22: warning: unused variable ‘posB1’ [-Wunused-variable] 2023-09-08T21:24:47,510 7577 | VECTOR posA1,posA2,posB1,posB2; 2023-09-08T21:24:47,511 | ^~~~~ 2023-09-08T21:24:47,518 src/ewald.c:7577:16: warning: unused variable ‘posA2’ [-Wunused-variable] 2023-09-08T21:24:47,518 7577 | VECTOR posA1,posA2,posB1,posB2; 2023-09-08T21:24:47,519 | ^~~~~ 2023-09-08T21:24:47,526 src/ewald.c:7577:10: warning: unused variable ‘posA1’ [-Wunused-variable] 2023-09-08T21:24:47,527 7577 | VECTOR posA1,posA2,posB1,posB2; 2023-09-08T21:24:47,527 | ^~~~~ 2023-09-08T21:24:47,535 src/ewald.c:7576:25: warning: unused variable ‘dipoleB’ [-Wunused-variable] 2023-09-08T21:24:47,535 7576 | VECTOR dipole,dipoleA,dipoleB,rk; 2023-09-08T21:24:47,536 | ^~~~~~~ 2023-09-08T21:24:47,543 src/ewald.c:7576:17: warning: unused variable ‘dipoleA’ [-Wunused-variable] 2023-09-08T21:24:47,544 7576 | VECTOR dipole,dipoleA,dipoleB,rk; 2023-09-08T21:24:47,544 | ^~~~~~~ 2023-09-08T21:24:47,552 src/ewald.c:7568:32: warning: unused variable ‘Bt2’ [-Wunused-variable] 2023-09-08T21:24:47,552 7568 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2023-09-08T21:24:47,553 | ^~~ 2023-09-08T21:24:47,560 src/ewald.c:7568:28: warning: unused variable ‘Bt1’ [-Wunused-variable] 2023-09-08T21:24:47,560 7568 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2023-09-08T21:24:47,561 | ^~~ 2023-09-08T21:24:47,568 src/ewald.c:7568:18: warning: unused variable ‘cosAB’ [-Wunused-variable] 2023-09-08T21:24:47,568 7568 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2023-09-08T21:24:47,569 | ^~~~~ 2023-09-08T21:24:47,576 src/ewald.c:7568:13: warning: unused variable ‘cosB’ [-Wunused-variable] 2023-09-08T21:24:47,576 7568 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2023-09-08T21:24:47,577 | ^~~~ 2023-09-08T21:24:47,583 src/ewald.c:7568:8: warning: unused variable ‘cosA’ [-Wunused-variable] 2023-09-08T21:24:47,584 7568 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2023-09-08T21:24:47,585 | ^~~~ 2023-09-08T21:24:47,591 src/ewald.c:7567:25: warning: unused variable ‘scalingB’ [-Wunused-variable] 2023-09-08T21:24:47,592 7567 | REAL scaling,scalingA,scalingB; 2023-09-08T21:24:47,592 | ^~~~~~~~ 2023-09-08T21:24:47,599 src/ewald.c:7567:16: warning: unused variable ‘scalingA’ [-Wunused-variable] 2023-09-08T21:24:47,600 7567 | REAL scaling,scalingA,scalingB; 2023-09-08T21:24:47,600 | ^~~~~~~~ 2023-09-08T21:24:47,607 src/ewald.c:7567:8: warning: unused variable ‘scaling’ [-Wunused-variable] 2023-09-08T21:24:47,608 7567 | REAL scaling,scalingA,scalingB; 2023-09-08T21:24:47,608 | ^~~~~~~ 2023-09-08T21:24:47,615 src/ewald.c:7564:39: warning: unused variable ‘rr’ [-Wunused-variable] 2023-09-08T21:24:47,615 7564 | REAL alpha,chargeA,chargeB,charge,r,rr; 2023-09-08T21:24:47,616 | ^~ 2023-09-08T21:24:47,623 src/ewald.c:7564:30: warning: unused variable ‘charge’ [-Wunused-variable] 2023-09-08T21:24:47,623 7564 | REAL alpha,chargeA,chargeB,charge,r,rr; 2023-09-08T21:24:47,624 | ^~~~~~ 2023-09-08T21:24:47,631 src/ewald.c:7562:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:47,631 7562 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2023-09-08T21:24:47,631 | ^~~ 2023-09-08T21:24:47,638 src/ewald.c:7557:30: warning: unused variable ‘nr_of_bonddipoles’ [-Wunused-variable] 2023-09-08T21:24:47,639 7557 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2023-09-08T21:24:47,639 | ^~~~~~~~~~~~~~~~~ 2023-09-08T21:24:47,646 src/ewald.c:7557:16: warning: unused variable ‘nr_atoms’ [-Wunused-variable] 2023-09-08T21:24:47,647 7557 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2023-09-08T21:24:47,647 | ^~~~~~~~ 2023-09-08T21:24:47,654 src/ewald.c:7557:7: warning: unused variable ‘type_mol’ [-Wunused-variable] 2023-09-08T21:24:47,655 7557 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2023-09-08T21:24:47,656 | ^~~~~~~~ 2023-09-08T21:24:47,687 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbateRXMC2’: 2023-09-08T21:24:47,695 src/ewald.c:9160:8: warning: unused variable ‘scalingB_old’ [-Wunused-variable] 2023-09-08T21:24:47,696 9160 | REAL scalingB_old; 2023-09-08T21:24:47,697 | ^~~~~~~~~~~~ 2023-09-08T21:24:47,704 src/ewald.c:8464:20: warning: unused variable ‘chargeA_old’ [-Wunused-variable] 2023-09-08T21:24:47,705 8464 | REAL chargeA_new,chargeA_old; 2023-09-08T21:24:47,705 | ^~~~~~~~~~~ 2023-09-08T21:24:47,713 src/ewald.c:8463:21: warning: unused variable ‘scalingA_old’ [-Wunused-variable] 2023-09-08T21:24:47,714 8463 | REAL scalingA_new,scalingA_old; 2023-09-08T21:24:47,714 | ^~~~~~~~~~~~ 2023-09-08T21:24:47,722 src/ewald.c:8462:7: warning: unused variable ‘typeA’ [-Wunused-variable] 2023-09-08T21:24:47,722 8462 | int typeA; 2023-09-08T21:24:47,723 | ^~~~~ 2023-09-08T21:24:47,731 src/ewald.c:8460:7: warning: variable ‘RXMCMoleculeNumbers’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:47,731 8460 | int RXMCMoleculeNumbers[256]; 2023-09-08T21:24:47,732 | ^~~~~~~~~~~~~~~~~~~ 2023-09-08T21:24:47,740 src/ewald.c:8456:7: warning: unused variable ‘considered_charged’ [-Wunused-variable] 2023-09-08T21:24:47,740 8456 | int considered_charged; 2023-09-08T21:24:47,741 | ^~~~~~~~~~~~~~~~~~ 2023-09-08T21:24:47,748 src/ewald.c:8455:9: warning: unused variable ‘atom_pointer’ [-Wunused-variable] 2023-09-08T21:24:47,749 8455 | ATOM *atom_pointer; 2023-09-08T21:24:47,750 | ^~~~~~~~~~~~ 2023-09-08T21:24:47,757 src/ewald.c:8454:8: warning: unused variable ‘pair’ [-Wunused-variable] 2023-09-08T21:24:47,758 8454 | PAIR pair; 2023-09-08T21:24:47,759 | ^~~~ 2023-09-08T21:24:47,766 src/ewald.c:8451:28: warning: unused variable ‘posB2’ [-Wunused-variable] 2023-09-08T21:24:47,767 8451 | VECTOR posA1,posA2,posB1,posB2; 2023-09-08T21:24:47,767 | ^~~~~ 2023-09-08T21:24:47,775 src/ewald.c:8451:22: warning: unused variable ‘posB1’ [-Wunused-variable] 2023-09-08T21:24:47,775 8451 | VECTOR posA1,posA2,posB1,posB2; 2023-09-08T21:24:47,776 | ^~~~~ 2023-09-08T21:24:47,784 src/ewald.c:8451:16: warning: unused variable ‘posA2’ [-Wunused-variable] 2023-09-08T21:24:47,784 8451 | VECTOR posA1,posA2,posB1,posB2; 2023-09-08T21:24:47,785 | ^~~~~ 2023-09-08T21:24:47,792 src/ewald.c:8451:10: warning: unused variable ‘posA1’ [-Wunused-variable] 2023-09-08T21:24:47,793 8451 | VECTOR posA1,posA2,posB1,posB2; 2023-09-08T21:24:47,793 | ^~~~~ 2023-09-08T21:24:47,801 src/ewald.c:8450:25: warning: unused variable ‘dipoleB’ [-Wunused-variable] 2023-09-08T21:24:47,802 8450 | VECTOR dipole,dipoleA,dipoleB,rk; 2023-09-08T21:24:47,802 | ^~~~~~~ 2023-09-08T21:24:47,810 src/ewald.c:8450:17: warning: unused variable ‘dipoleA’ [-Wunused-variable] 2023-09-08T21:24:47,810 8450 | VECTOR dipole,dipoleA,dipoleB,rk; 2023-09-08T21:24:47,811 | ^~~~~~~ 2023-09-08T21:24:47,819 src/ewald.c:8442:32: warning: unused variable ‘Bt2’ [-Wunused-variable] 2023-09-08T21:24:47,819 8442 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2023-09-08T21:24:47,820 | ^~~ 2023-09-08T21:24:47,827 src/ewald.c:8442:28: warning: unused variable ‘Bt1’ [-Wunused-variable] 2023-09-08T21:24:47,828 8442 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2023-09-08T21:24:47,829 | ^~~ 2023-09-08T21:24:47,836 src/ewald.c:8442:18: warning: unused variable ‘cosAB’ [-Wunused-variable] 2023-09-08T21:24:47,837 8442 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2023-09-08T21:24:47,837 | ^~~~~ 2023-09-08T21:24:47,845 src/ewald.c:8442:13: warning: unused variable ‘cosB’ [-Wunused-variable] 2023-09-08T21:24:47,846 8442 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2023-09-08T21:24:47,846 | ^~~~ 2023-09-08T21:24:47,854 src/ewald.c:8442:8: warning: unused variable ‘cosA’ [-Wunused-variable] 2023-09-08T21:24:47,854 8442 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2023-09-08T21:24:47,855 | ^~~~ 2023-09-08T21:24:47,863 src/ewald.c:8441:25: warning: unused variable ‘scalingB’ [-Wunused-variable] 2023-09-08T21:24:47,863 8441 | REAL scaling,scalingA,scalingB; 2023-09-08T21:24:47,864 | ^~~~~~~~ 2023-09-08T21:24:47,872 src/ewald.c:8441:16: warning: unused variable ‘scalingA’ [-Wunused-variable] 2023-09-08T21:24:47,872 8441 | REAL scaling,scalingA,scalingB; 2023-09-08T21:24:47,873 | ^~~~~~~~ 2023-09-08T21:24:47,880 src/ewald.c:8441:8: warning: unused variable ‘scaling’ [-Wunused-variable] 2023-09-08T21:24:47,881 8441 | REAL scaling,scalingA,scalingB; 2023-09-08T21:24:47,882 | ^~~~~~~ 2023-09-08T21:24:47,889 src/ewald.c:8438:39: warning: unused variable ‘rr’ [-Wunused-variable] 2023-09-08T21:24:47,890 8438 | REAL alpha,chargeA,chargeB,charge,r,rr; 2023-09-08T21:24:47,891 | ^~ 2023-09-08T21:24:47,899 src/ewald.c:8438:30: warning: unused variable ‘charge’ [-Wunused-variable] 2023-09-08T21:24:47,900 8438 | REAL alpha,chargeA,chargeB,charge,r,rr; 2023-09-08T21:24:47,900 | ^~~~~~ 2023-09-08T21:24:47,909 src/ewald.c:8436:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:47,910 8436 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2023-09-08T21:24:47,910 | ^~~ 2023-09-08T21:24:47,918 src/ewald.c:8431:30: warning: unused variable ‘nr_of_bonddipoles’ [-Wunused-variable] 2023-09-08T21:24:47,919 8431 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2023-09-08T21:24:47,919 | ^~~~~~~~~~~~~~~~~ 2023-09-08T21:24:47,927 src/ewald.c:8431:16: warning: unused variable ‘nr_atoms’ [-Wunused-variable] 2023-09-08T21:24:47,928 8431 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2023-09-08T21:24:47,928 | ^~~~~~~~ 2023-09-08T21:24:47,936 src/ewald.c:8431:7: warning: unused variable ‘type_mol’ [-Wunused-variable] 2023-09-08T21:24:47,937 8431 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2023-09-08T21:24:47,938 | ^~~~~~~~ 2023-09-08T21:24:47,978 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbateCF’: 2023-09-08T21:24:47,990 src/ewald.c:9231:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:47,991 9231 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2023-09-08T21:24:47,991 | ^~~ 2023-09-08T21:24:48,032 src/ewald.c: In function ‘CalculateEwaldFourierCation’: 2023-09-08T21:24:48,042 src/ewald.c:9940:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:48,042 9940 | REAL fac,energy_charge_cations,energy_charge_adsorbates_cations,energy_charge_framework_cations; 2023-09-08T21:24:48,043 | ^~~ 2023-09-08T21:24:48,090 src/ewald.c: In function ‘CalculateEwaldFourierCationCF’: 2023-09-08T21:24:48,101 src/ewald.c:10649:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:48,101 10649 | REAL fac,energy_charge_cations,energy_charge_adsorbates_cations,energy_charge_framework_cations; 2023-09-08T21:24:48,102 | ^~~ 2023-09-08T21:24:48,137 src/ewald.c: In function ‘CalculateEwaldFourierFrameworkDisplacement’: 2023-09-08T21:24:48,149 src/ewald.c:11490:8: warning: variable ‘NetChargeNew’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:48,150 11490 | REAL NetChargeNew,NetChargeOld; 2023-09-08T21:24:48,150 | ^~~~~~~~~~~~ 2023-09-08T21:24:48,188 src/ewald.c: In function ‘CalculateEwaldFourierFrameworkAtomTranslate’: 2023-09-08T21:24:48,200 src/ewald.c:11973:13: warning: variable ‘TypeA’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:48,201 11973 | int B1,B2,TypeA; 2023-09-08T21:24:48,201 | ^~~~~ 2023-09-08T21:24:48,213 src/ewald.c:11964:13: warning: variable ‘index’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:48,213 11964 | int A1,A2,index,A,B; 2023-09-08T21:24:48,214 | ^~~~~ 2023-09-08T21:24:48,225 src/ewald.c:11960:8: warning: variable ‘NetChargeNew’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:48,226 11960 | REAL NetChargeNew,NetChargeOld; 2023-09-08T21:24:48,226 | ^~~~~~~~~~~~ 2023-09-08T21:24:48,238 src/ewald.c:11956:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:48,238 11956 | REAL fac; 2023-09-08T21:24:48,239 | ^~~ 2023-09-08T21:24:48,250 src/ewald.c:11955:7: warning: variable ‘Type’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:48,251 11955 | int Type; 2023-09-08T21:24:48,252 | ^~~~ 2023-09-08T21:24:48,262 src/ewald.c: In function ‘EwaldFourierElectrostaticPotentialAdsorbate’: 2023-09-08T21:24:48,276 src/ewald.c:12623:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:48,276 12623 | int typeA,typeB,type; 2023-09-08T21:24:48,277 | ^~~~~ 2023-09-08T21:24:48,289 src/ewald.c:12623:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:48,289 12623 | int typeA,typeB,type; 2023-09-08T21:24:48,290 | ^~~~~ 2023-09-08T21:24:48,302 src/ewald.c:12620:11: warning: variable ‘kvecs’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:48,303 12620 | VECTOR *kvecs; 2023-09-08T21:24:48,303 | ^~~~~ 2023-09-08T21:24:48,313 src/ewald.c: In function ‘EwaldFourierElectrostaticPotentialCation’: 2023-09-08T21:24:48,327 src/ewald.c:12789:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:48,327 12789 | int typeA,typeB,type; 2023-09-08T21:24:48,328 | ^~~~~ 2023-09-08T21:24:48,340 src/ewald.c:12789:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:48,341 12789 | int typeA,typeB,type; 2023-09-08T21:24:48,341 | ^~~~~ 2023-09-08T21:24:48,353 src/ewald.c:12786:11: warning: variable ‘kvecs’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:48,354 12786 | VECTOR *kvecs; 2023-09-08T21:24:48,355 | ^~~~~ 2023-09-08T21:24:48,397 src/ewald.c: In function ‘EwaldFourierStaticElectricField’: 2023-09-08T21:24:48,410 src/ewald.c:12959:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:48,411 12959 | int nvec,type_mol,type,typeA,typeB; 2023-09-08T21:24:48,411 | ^~~~~ 2023-09-08T21:24:48,424 src/ewald.c:12959:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:48,424 12959 | int nvec,type_mol,type,typeA,typeB; 2023-09-08T21:24:48,425 | ^~~~~ 2023-09-08T21:24:48,473 src/ewald.c: In function ‘ComputeStaticElectricFieldEwald’: 2023-09-08T21:24:48,487 src/ewald.c:13673:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:48,488 13673 | int nvec,type_mol,type,typeA,typeB; 2023-09-08T21:24:48,489 | ^~~~~ 2023-09-08T21:24:48,502 src/ewald.c:13673:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:48,503 13673 | int nvec,type_mol,type,typeA,typeB; 2023-09-08T21:24:48,503 | ^~~~~ 2023-09-08T21:24:48,529 src/ewald.c: In function ‘ComputeElectricFieldFromInducedDipolesEwald’: 2023-09-08T21:24:48,545 src/ewald.c:15149:8: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:48,546 15149 | REAL alpha,fac,temp,fac_self,factor,charge; 2023-09-08T21:24:48,547 | ^~~~~ 2023-09-08T21:24:48,574 src/ewald.c: In function ‘ComputeElectricFieldFromInducedDipolesEwaldMC’: 2023-09-08T21:24:48,590 src/ewald.c:15491:8: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:48,591 15491 | REAL alpha,fac,temp,fac_self,factor,charge; 2023-09-08T21:24:48,592 | ^~~~~ 2023-09-08T21:24:52,585 src/ewald.c: In function ‘CalculateEwaldFourierDerivatives’: 2023-09-08T21:24:52,605 src/ewald.c:18725:17: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:52,606 18725 | REAL *kfactor,alpha,temp; 2023-09-08T21:24:52,606 | ^~~~~ 2023-09-08T21:24:52,625 src/ewald.c:18710:8: warning: variable ‘Usum_framework’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:52,626 18710 | REAL Usum_framework; 2023-09-08T21:24:52,626 | ^~~~~~~~~~~~~~ 2023-09-08T21:24:52,645 src/ewald.c:18708:17: warning: variable ‘CksumFramework’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:52,645 18708 | COMPLEX Cksum,CksumFramework; 2023-09-08T21:24:52,646 | ^~~~~~~~~~~~~~ 2023-09-08T21:24:52,665 src/ewald.c:18695:17: warning: variable ‘energy_term’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:52,665 18695 | REAL exp_term,energy_term; 2023-09-08T21:24:52,666 | ^~~~~~~~~~~ 2023-09-08T21:24:52,684 src/ewald.c:18694:13: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:52,685 18694 | REAL Rksq,fac; 2023-09-08T21:24:52,685 | ^~~ 2023-09-08T21:24:52,706 src/ewald.c:18693:18: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:52,707 18693 | int type,typeA,typeB,Type; 2023-09-08T21:24:52,707 | ^~~~~ 2023-09-08T21:24:52,726 src/ewald.c:18693:12: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:24:52,727 18693 | int type,typeA,typeB,Type; 2023-09-08T21:24:52,727 | ^~~~~ 2023-09-08T21:26:14,729 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/framework.c -o build/temp.linux-armv7l-cpython-311/src/framework.o 2023-09-08T21:26:14,946 src/framework.c: In function ‘MakeFrameworkCellList’: 2023-09-08T21:26:14,946 src/framework.c:145:18: warning: variable ‘M’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:26:14,947 145 | int i,f1,icell,M; 2023-09-08T21:26:14,948 | ^ 2023-09-08T21:26:15,003 src/framework.c: In function ‘ReadFrameworkDefinitionCIF’: 2023-09-08T21:26:15,004 src/framework.c:350:7: warning: variable ‘NumberOfAtomTypeElementsInBlock’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:26:15,005 350 | int NumberOfAtomTypeElementsInBlock; 2023-09-08T21:26:15,005 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:26:15,117 src/framework.c: In function ‘WriteFrameworkDefinitionCIF’: 2023-09-08T21:26:15,119 src/framework.c:2057:12: warning: variable ‘C’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:26:15,120 2057 | REAL A,B,C; 2023-09-08T21:26:15,120 | ^ 2023-09-08T21:26:15,121 src/framework.c:2057:10: warning: variable ‘B’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:26:15,121 2057 | REAL A,B,C; 2023-09-08T21:26:15,122 | ^ 2023-09-08T21:26:15,123 src/framework.c:2057:8: warning: variable ‘A’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:26:15,124 2057 | REAL A,B,C; 2023-09-08T21:26:15,124 | ^ 2023-09-08T21:26:15,147 src/framework.c: In function ‘ReadFrameworkDefinitionCSSR’: 2023-09-08T21:26:15,150 src/framework.c:3254:14: warning: variable ‘index’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:26:15,151 3254 | int i,temp,index; 2023-09-08T21:26:15,151 | ^~~~~ 2023-09-08T21:26:15,162 src/framework.c: In function ‘WriteFrameworkDefinitionPDB’: 2023-09-08T21:26:15,165 src/framework.c:3558:9: warning: variable ‘Type’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:26:15,166 3558 | int j,Type; 2023-09-08T21:26:15,166 | ^~~~ 2023-09-08T21:26:15,176 src/framework.c: In function ‘WriteFrameworkDefinitionGulp’: 2023-09-08T21:26:15,180 src/framework.c:3648:8: warning: variable ‘SerialNumber’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:26:15,180 3648 | int SerialNumber; // Atom serial number 2023-09-08T21:26:15,181 | ^~~~~~~~~~~~ 2023-09-08T21:26:15,247 src/framework.c: In function ‘ReadIonSitingDefinition’: 2023-09-08T21:26:15,251 src/framework.c:4843:14: warning: variable ‘index’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:26:15,252 4843 | int i,temp,index; 2023-09-08T21:26:15,252 | ^~~~~ 2023-09-08T21:26:15,263 src/framework.c: In function ‘ReturnNumberOfAsymmetricAtoms’: 2023-09-08T21:26:15,268 src/framework.c:5049:16: warning: variable ‘t’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:26:15,269 5049 | VECTOR pos,s,t; 2023-09-08T21:26:15,269 | ^ 2023-09-08T21:26:15,369 src/framework.c: In function ‘AddTorsionTypeToDefinitions’: 2023-09-08T21:26:15,375 src/framework.c:6742:7: warning: unused variable ‘CompareParameters’ [-Wunused-variable] 2023-09-08T21:26:15,376 6742 | int CompareParameters; 2023-09-08T21:26:15,376 | ^~~~~~~~~~~~~~~~~ 2023-09-08T21:26:15,379 src/framework.c: In function ‘AddImproperTorsionTypeToDefinitions’: 2023-09-08T21:26:15,385 src/framework.c:6833:7: warning: unused variable ‘CompareParameters’ [-Wunused-variable] 2023-09-08T21:26:15,385 6833 | int CompareParameters; 2023-09-08T21:26:15,386 | ^~~~~~~~~~~~~~~~~ 2023-09-08T21:26:15,424 src/framework.c: In function ‘ReadFrameworkSpecificDefinition’: 2023-09-08T21:26:15,431 src/framework.c:6943:7: warning: unused variable ‘int_temp1’ [-Wunused-variable] 2023-09-08T21:26:15,432 6943 | int int_temp1,int_temp2; 2023-09-08T21:26:15,432 | ^~~~~~~~~ 2023-09-08T21:26:15,438 src/framework.c:6941:18: warning: unused variable ‘dr’ [-Wunused-variable] 2023-09-08T21:26:15,439 6941 | VECTOR Rab,Rbc,dr; 2023-09-08T21:26:15,439 | ^~ 2023-09-08T21:26:15,445 src/framework.c:6941:14: warning: unused variable ‘Rbc’ [-Wunused-variable] 2023-09-08T21:26:15,446 6941 | VECTOR Rab,Rbc,dr; 2023-09-08T21:26:15,446 | ^~~ 2023-09-08T21:26:15,452 src/framework.c:6941:10: warning: unused variable ‘Rab’ [-Wunused-variable] 2023-09-08T21:26:15,453 6941 | VECTOR Rab,Rbc,dr; 2023-09-08T21:26:15,453 | ^~~ 2023-09-08T21:26:15,460 src/framework.c:6939:18: warning: unused variable ‘theta’ [-Wunused-variable] 2023-09-08T21:26:15,460 6939 | REAL r,rab,rbc,theta; 2023-09-08T21:26:15,461 | ^~~~~ 2023-09-08T21:26:15,467 src/framework.c:6939:14: warning: unused variable ‘rbc’ [-Wunused-variable] 2023-09-08T21:26:15,467 6939 | REAL r,rab,rbc,theta; 2023-09-08T21:26:15,468 | ^~~ 2023-09-08T21:26:15,474 src/framework.c:6939:10: warning: unused variable ‘rab’ [-Wunused-variable] 2023-09-08T21:26:15,474 6939 | REAL r,rab,rbc,theta; 2023-09-08T21:26:15,475 | ^~~ 2023-09-08T21:26:15,481 src/framework.c:6939:8: warning: unused variable ‘r’ [-Wunused-variable] 2023-09-08T21:26:15,481 6939 | REAL r,rab,rbc,theta; 2023-09-08T21:26:15,482 | ^ 2023-09-08T21:26:15,488 src/framework.c:6938:70: warning: unused variable ‘BendTorsionType’ [-Wunused-variable] 2023-09-08T21:26:15,488 6938 | int BondBondType=0,BondBendType=0,BendBendType=0,BondTorsionType=0,BendTorsionType=0; 2023-09-08T21:26:15,489 | ^~~~~~~~~~~~~~~ 2023-09-08T21:26:15,495 src/framework.c:6938:52: warning: unused variable ‘BondTorsionType’ [-Wunused-variable] 2023-09-08T21:26:15,496 6938 | int BondBondType=0,BondBendType=0,BendBendType=0,BondTorsionType=0,BendTorsionType=0; 2023-09-08T21:26:15,496 | ^~~~~~~~~~~~~~~ 2023-09-08T21:26:15,502 src/framework.c:6938:37: warning: unused variable ‘BendBendType’ [-Wunused-variable] 2023-09-08T21:26:15,502 6938 | int BondBondType=0,BondBendType=0,BendBendType=0,BondTorsionType=0,BendTorsionType=0; 2023-09-08T21:26:15,503 | ^~~~~~~~~~~~ 2023-09-08T21:26:15,509 src/framework.c:6938:22: warning: unused variable ‘BondBendType’ [-Wunused-variable] 2023-09-08T21:26:15,509 6938 | int BondBondType=0,BondBendType=0,BendBendType=0,BondTorsionType=0,BendTorsionType=0; 2023-09-08T21:26:15,510 | ^~~~~~~~~~~~ 2023-09-08T21:26:15,516 src/framework.c:6938:7: warning: unused variable ‘BondBondType’ [-Wunused-variable] 2023-09-08T21:26:15,517 6938 | int BondBondType=0,BondBendType=0,BendBendType=0,BondTorsionType=0,BendTorsionType=0; 2023-09-08T21:26:15,517 | ^~~~~~~~~~~~ 2023-09-08T21:26:15,523 src/framework.c:6937:43: warning: unused variable ‘InversionBendType’ [-Wunused-variable] 2023-09-08T21:26:15,524 6937 | int BondType=0,BendType=0,TorsionType=0,InversionBendType=0,ImproperTorsionType=0; 2023-09-08T21:26:15,525 | ^~~~~~~~~~~~~~~~~ 2023-09-08T21:26:15,530 src/framework.c:6936:7: warning: variable ‘NumberOfArguments’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:26:15,530 6936 | int NumberOfArguments; 2023-09-08T21:26:15,531 | ^~~~~~~~~~~~~~~~~ 2023-09-08T21:26:15,537 src/framework.c:6933:53: warning: unused variable ‘TypeNameD’ [-Wunused-variable] 2023-09-08T21:26:15,538 6933 | char TypeNameA[256],TypeNameB[256],TypeNameC[256],TypeNameD[256]; 2023-09-08T21:26:15,538 | ^~~~~~~~~ 2023-09-08T21:26:15,544 src/framework.c:6933:38: warning: unused variable ‘TypeNameC’ [-Wunused-variable] 2023-09-08T21:26:15,544 6933 | char TypeNameA[256],TypeNameB[256],TypeNameC[256],TypeNameD[256]; 2023-09-08T21:26:15,545 | ^~~~~~~~~ 2023-09-08T21:26:15,551 src/framework.c:6932:123: warning: unused variable ‘ListTypeD’ [-Wunused-variable] 2023-09-08T21:26:15,551 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2023-09-08T21:26:15,552 | ^~~~~~~~~ 2023-09-08T21:26:15,558 src/framework.c:6932:113: warning: unused variable ‘ListTypeC’ [-Wunused-variable] 2023-09-08T21:26:15,559 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2023-09-08T21:26:15,559 | ^~~~~~~~~ 2023-09-08T21:26:15,565 src/framework.c:6932:87: warning: unused variable ‘CurrentTypeD’ [-Wunused-variable] 2023-09-08T21:26:15,566 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2023-09-08T21:26:15,566 | ^~~~~~~~~~~~ 2023-09-08T21:26:15,572 src/framework.c:6932:74: warning: unused variable ‘CurrentTypeC’ [-Wunused-variable] 2023-09-08T21:26:15,573 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2023-09-08T21:26:15,573 | ^~~~~~~~~~~~ 2023-09-08T21:26:15,579 src/framework.c:6932:61: warning: unused variable ‘CurrentTypeB’ [-Wunused-variable] 2023-09-08T21:26:15,580 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2023-09-08T21:26:15,581 | ^~~~~~~~~~~~ 2023-09-08T21:26:15,586 src/framework.c:6932:48: warning: unused variable ‘CurrentTypeA’ [-Wunused-variable] 2023-09-08T21:26:15,587 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2023-09-08T21:26:15,588 | ^~~~~~~~~~~~ 2023-09-08T21:26:15,593 src/framework.c:6932:21: warning: unused variable ‘C1’ [-Wunused-variable] 2023-09-08T21:26:15,594 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2023-09-08T21:26:15,594 | ^~ 2023-09-08T21:26:15,600 src/framework.c:6932:18: warning: unused variable ‘B1’ [-Wunused-variable] 2023-09-08T21:26:15,601 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2023-09-08T21:26:15,602 | ^~ 2023-09-08T21:26:15,607 src/framework.c:6932:15: warning: unused variable ‘A1’ [-Wunused-variable] 2023-09-08T21:26:15,608 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2023-09-08T21:26:15,608 | ^~ 2023-09-08T21:26:15,614 src/framework.c:6931:60: warning: unused variable ‘arg_pointer’ [-Wunused-variable] 2023-09-08T21:26:15,615 6931 | char keyword[1024],arguments[16384],firstargument[1024],*arg_pointer; 2023-09-08T21:26:15,615 | ^~~~~~~~~~~ 2023-09-08T21:26:15,621 src/framework.c:6930:20: warning: unused variable ‘string’ [-Wunused-variable] 2023-09-08T21:26:15,622 6930 | char line[16384],string[1024],buffer[256]; 2023-09-08T21:26:15,622 | ^~~~~~ 2023-09-08T21:26:15,628 src/framework.c:6929:45: warning: unused variable ‘nr_atoms’ [-Wunused-variable] 2023-09-08T21:26:15,629 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2023-09-08T21:26:15,629 | ^~~~~~~~ 2023-09-08T21:26:15,635 src/framework.c:6929:37: warning: unused variable ‘present’ [-Wunused-variable] 2023-09-08T21:26:15,636 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2023-09-08T21:26:15,636 | ^~~~~~~ 2023-09-08T21:26:15,642 src/framework.c:6929:22: warning: unused variable ‘index_excluded’ [-Wunused-variable] 2023-09-08T21:26:15,643 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2023-09-08T21:26:15,643 | ^~~~~~~~~~~~~~ 2023-09-08T21:26:15,649 src/framework.c:6929:19: warning: unused variable ‘f1’ [-Wunused-variable] 2023-09-08T21:26:15,650 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2023-09-08T21:26:15,650 | ^~ 2023-09-08T21:26:15,656 src/framework.c:6929:17: warning: unused variable ‘n’ [-Wunused-variable] 2023-09-08T21:26:15,657 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2023-09-08T21:26:15,657 | ^ 2023-09-08T21:26:15,663 src/framework.c:6929:15: warning: unused variable ‘m’ [-Wunused-variable] 2023-09-08T21:26:15,664 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2023-09-08T21:26:15,665 | ^ 2023-09-08T21:26:15,670 src/framework.c:6929:13: warning: unused variable ‘l’ [-Wunused-variable] 2023-09-08T21:26:15,671 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2023-09-08T21:26:15,672 | ^ 2023-09-08T21:26:15,677 src/framework.c:6929:11: warning: unused variable ‘k’ [-Wunused-variable] 2023-09-08T21:26:15,678 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2023-09-08T21:26:15,679 | ^ 2023-09-08T21:26:15,698 src/framework.c: In function ‘WriteFrameworkDefinitionDLPOLY’: 2023-09-08T21:26:15,706 src/framework.c:7308:25: warning: variable ‘typeD’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:26:15,707 7308 | int typeA,typeB,typeC,typeD; 2023-09-08T21:26:15,707 | ^~~~~ 2023-09-08T21:26:15,714 src/framework.c:7308:19: warning: variable ‘typeC’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:26:15,714 7308 | int typeA,typeB,typeC,typeD; 2023-09-08T21:26:15,715 | ^~~~~ 2023-09-08T21:26:15,721 src/framework.c:7308:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:26:15,722 7308 | int typeA,typeB,typeC,typeD; 2023-09-08T21:26:15,723 | ^~~~~ 2023-09-08T21:26:15,914 src/framework.c: In function ‘ReadFrameworkDefinition’: 2023-09-08T21:26:15,922 src/framework.c:7827:8: warning: unused variable ‘string’ [-Wunused-variable] 2023-09-08T21:26:15,923 7827 | char string[256]; 2023-09-08T21:26:15,924 | ^~~~~~ 2023-09-08T21:26:15,930 src/framework.c:7826:17: warning: unused variable ‘int_temp2’ [-Wunused-variable] 2023-09-08T21:26:15,931 7826 | int int_temp1,int_temp2; 2023-09-08T21:26:15,931 | ^~~~~~~~~ 2023-09-08T21:26:15,938 src/framework.c:7826:7: warning: unused variable ‘int_temp1’ [-Wunused-variable] 2023-09-08T21:26:15,939 7826 | int int_temp1,int_temp2; 2023-09-08T21:26:15,939 | ^~~~~~~~~ 2023-09-08T21:26:15,946 src/framework.c:7814:22: warning: variable ‘index_excluded’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:26:15,947 7814 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2023-09-08T21:26:15,947 | ^~~~~~~~~~~~~~ 2023-09-08T21:26:15,982 src/framework.c: In function ‘MakeExcludedInteractionLists’: 2023-09-08T21:26:15,993 src/framework.c:11201:13: warning: variable ‘TypeB’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:26:15,994 11201 | int TypeA,TypeB; 2023-09-08T21:26:15,994 | ^~~~~ 2023-09-08T21:26:16,005 src/framework.c:11201:7: warning: variable ‘TypeA’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:26:16,006 11201 | int TypeA,TypeB; 2023-09-08T21:26:16,006 | ^~~~~ 2023-09-08T21:26:20,376 src/framework.c: In function ‘WriteFrameworkDefinitionMOL’: 2023-09-08T21:26:20,381 src/framework.c:3050:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2023-09-08T21:26:20,381 3050 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.mol",CurrentSystem,CurrentFramework,string,FileNameAppend); 2023-09-08T21:26:20,382 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T21:26:20,384 src/framework.c:3050:9: note: ‘sprintf’ output 33 or more bytes (assuming 288) into a destination of size 256 2023-09-08T21:26:20,384 3050 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.mol",CurrentSystem,CurrentFramework,string,FileNameAppend); 2023-09-08T21:26:20,385 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:26:20,519 src/framework.c: In function ‘WriteFrameworkDefinitionCSSR’: 2023-09-08T21:26:20,524 src/framework.c:3463:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2023-09-08T21:26:20,525 3463 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.cssr",CurrentSystem,CurrentFramework,string,FileNameAppend); 2023-09-08T21:26:20,526 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T21:26:20,528 src/framework.c:3463:9: note: ‘sprintf’ output 34 or more bytes (assuming 289) into a destination of size 256 2023-09-08T21:26:20,529 3463 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.cssr",CurrentSystem,CurrentFramework,string,FileNameAppend); 2023-09-08T21:26:20,529 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:26:20,532 src/framework.c:3530:37: warning: ‘%-6s’ directive output may be truncated writing between 6 and 31 bytes into a region of size 10 [-Wformat-truncation=] 2023-09-08T21:26:20,533 3530 | snprintf(AtomName,10,"%-6s",PseudoAtoms[Framework[CurrentSystem].AtomsAsymmetric[CurrentFramework][j].Type].PrintToPDBName); 2023-09-08T21:26:20,533 | ^~~~ 2023-09-08T21:26:20,536 src/framework.c:3530:15: note: ‘snprintf’ output between 7 and 32 bytes into a destination of size 10 2023-09-08T21:26:20,537 3530 | snprintf(AtomName,10,"%-6s",PseudoAtoms[Framework[CurrentSystem].AtomsAsymmetric[CurrentFramework][j].Type].PrintToPDBName); 2023-09-08T21:26:20,537 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:26:20,540 src/framework.c:3502:37: warning: ‘%-6s’ directive output may be truncated writing between 6 and 31 bytes into a region of size 10 [-Wformat-truncation=] 2023-09-08T21:26:20,541 3502 | snprintf(AtomName,10,"%-6s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2023-09-08T21:26:20,541 | ^~~~ 2023-09-08T21:26:20,544 src/framework.c:3502:15: note: ‘snprintf’ output between 7 and 32 bytes into a destination of size 10 2023-09-08T21:26:20,544 3502 | snprintf(AtomName,10,"%-6s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2023-09-08T21:26:20,545 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:26:20,725 src/framework.c: In function ‘WriteFrameworkDefinitionPDB’: 2023-09-08T21:26:20,731 src/framework.c:3596:52: warning: ‘%s’ directive writing up to 255 bytes into a region of size 230 [-Wformat-overflow=] 2023-09-08T21:26:20,731 3596 | sprintf(buffer,"Movies/System_%d/Framework_%s%s.pdb",CurrentSystem,string,FileNameAppend); 2023-09-08T21:26:20,731 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T21:26:20,734 src/framework.c:3596:7: note: ‘sprintf’ output 31 or more bytes (assuming 286) into a destination of size 256 2023-09-08T21:26:20,735 3596 | sprintf(buffer,"Movies/System_%d/Framework_%s%s.pdb",CurrentSystem,string,FileNameAppend); 2023-09-08T21:26:20,735 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:26:20,740 src/framework.c:3603:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 218 and 228 [-Wformat-overflow=] 2023-09-08T21:26:20,741 3603 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.pdb",CurrentSystem,CurrentFramework,string,FileNameAppend); 2023-09-08T21:26:20,741 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T21:26:20,744 src/framework.c:3603:9: note: ‘sprintf’ output 33 or more bytes (assuming 298) into a destination of size 256 2023-09-08T21:26:20,745 3603 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.pdb",CurrentSystem,CurrentFramework,string,FileNameAppend); 2023-09-08T21:26:20,745 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:26:20,748 src/framework.c:3617:35: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 10 [-Wformat-truncation=] 2023-09-08T21:26:20,748 3617 | snprintf(AtomName,10,"%2s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2023-09-08T21:26:20,749 | ^~~ 2023-09-08T21:26:20,752 src/framework.c:3617:13: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 10 2023-09-08T21:26:20,752 3617 | snprintf(AtomName,10,"%2s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2023-09-08T21:26:20,753 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:26:20,756 src/framework.c:3618:34: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 10 [-Wformat-truncation=] 2023-09-08T21:26:20,756 3618 | snprintf(Element,10,"%2s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2023-09-08T21:26:20,757 | ^~~ 2023-09-08T21:26:20,760 src/framework.c:3618:13: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 10 2023-09-08T21:26:20,760 3618 | snprintf(Element,10,"%2s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2023-09-08T21:26:20,761 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:26:20,965 src/framework.c: In function ‘WriteFrameworkDefinitionGulp’: 2023-09-08T21:26:20,970 src/framework.c:3672:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2023-09-08T21:26:20,971 3672 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.gulp",CurrentSystem,CurrentFramework,string,FileNameAppend); 2023-09-08T21:26:20,971 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T21:26:20,974 src/framework.c:3672:9: note: ‘sprintf’ output 34 or more bytes (assuming 289) into a destination of size 256 2023-09-08T21:26:20,975 3672 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.gulp",CurrentSystem,CurrentFramework,string,FileNameAppend); 2023-09-08T21:26:20,975 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:26:21,256 src/framework.c: In function ‘WriteFrameworkDefinitionVASP’: 2023-09-08T21:26:21,262 src/framework.c:3808:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2023-09-08T21:26:21,262 3808 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.vasp",CurrentSystem,CurrentFramework,string,FileNameAppend); 2023-09-08T21:26:21,263 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T21:26:21,266 src/framework.c:3808:9: note: ‘sprintf’ output 34 or more bytes (assuming 289) into a destination of size 256 2023-09-08T21:26:21,266 3808 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.vasp",CurrentSystem,CurrentFramework,string,FileNameAppend); 2023-09-08T21:26:21,267 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:26:21,422 src/framework.c: In function ‘WriteFrameworkDefinitionTinker’: 2023-09-08T21:26:21,428 src/framework.c:3915:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2023-09-08T21:26:21,429 3915 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.txyz",CurrentSystem,CurrentFramework,string,FileNameAppend); 2023-09-08T21:26:21,429 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T21:26:21,432 src/framework.c:3915:9: note: ‘sprintf’ output 34 or more bytes (assuming 289) into a destination of size 256 2023-09-08T21:26:21,433 3915 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.txyz",CurrentSystem,CurrentFramework,string,FileNameAppend); 2023-09-08T21:26:21,433 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:26:21,436 src/framework.c:3925:31: warning: ‘%3s’ directive writing between 3 and 31 bytes into a region of size 10 [-Wformat-overflow=] 2023-09-08T21:26:21,437 3925 | sprintf(AtomName,"%3s",PseudoAtoms[Type].PrintToPDBName); 2023-09-08T21:26:21,438 | ^~~ 2023-09-08T21:26:21,440 src/framework.c:3925:13: note: ‘sprintf’ output between 4 and 32 bytes into a destination of size 10 2023-09-08T21:26:21,441 3925 | sprintf(AtomName,"%3s",PseudoAtoms[Type].PrintToPDBName); 2023-09-08T21:26:21,442 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:26:22,436 src/framework.c: In function ‘ReadIonSitingDefinition’: 2023-09-08T21:26:22,444 src/framework.c:4848:22: warning: ‘%s’ directive writing 4 bytes into a region of size between 0 and 255 [-Wformat-overflow=] 2023-09-08T21:26:22,444 4848 | sprintf(buffer,"%s.%s",Framework[CurrentSystem].NameIons,"ions"); 2023-09-08T21:26:22,445 | ^~ ~~~~~~ 2023-09-08T21:26:22,449 src/framework.c:4848:3: note: ‘sprintf’ output between 6 and 261 bytes into a destination of size 256 2023-09-08T21:26:22,449 4848 | sprintf(buffer,"%s.%s",Framework[CurrentSystem].NameIons,"ions"); 2023-09-08T21:26:22,450 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:26:22,454 src/framework.c:4851:52: warning: ‘%s’ directive writing up to 255 bytes into a region of size 227 [-Wformat-overflow=] 2023-09-08T21:26:22,455 4851 | sprintf(buffer,"%s/share/raspa/structures/ions/%s.%s", 2023-09-08T21:26:22,455 | ^~ 2023-09-08T21:26:22,459 src/framework.c:4851:5: note: ‘sprintf’ output 35 or more bytes (assuming 290) into a destination of size 256 2023-09-08T21:26:22,460 4851 | sprintf(buffer,"%s/share/raspa/structures/ions/%s.%s", 2023-09-08T21:26:22,460 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:26:22,461 4852 | RASPA_DIRECTORY, 2023-09-08T21:26:22,462 | ~~~~~~~~~~~~~~~~ 2023-09-08T21:26:22,462 4853 | Framework[CurrentSystem].NameIons, 2023-09-08T21:26:22,463 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:26:22,463 4854 | "ions"); 2023-09-08T21:26:22,464 | ~~~~~~~ 2023-09-08T21:26:29,691 src/framework.c: In function ‘WriteFrameworkDefinitionCIF.part.0’: 2023-09-08T21:26:29,693 src/framework.c:2102:69: warning: ‘%s’ directive writing up to 255 bytes into a region of size 217 [-Wformat-overflow=] 2023-09-08T21:26:29,694 2102 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d_VASP%s.cif", 2023-09-08T21:26:29,695 | ^~ 2023-09-08T21:26:29,695 ...... 2023-09-08T21:26:29,696 2105 | FileNameAppend); 2023-09-08T21:26:29,696 | ~~~~~~~~~~~~~~ 2023-09-08T21:26:29,697 src/framework.c:2102:7: note: ‘sprintf’ output 44 or more bytes (assuming 299) into a destination of size 256 2023-09-08T21:26:29,698 2102 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d_VASP%s.cif", 2023-09-08T21:26:29,698 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:26:29,699 2103 | CurrentSystem,CurrentFramework,string, 2023-09-08T21:26:29,699 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:26:29,700 2104 | NumberOfUnitCells[CurrentSystem].x,NumberOfUnitCells[CurrentSystem].y,NumberOfUnitCells[CurrentSystem].z, 2023-09-08T21:26:29,700 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:26:29,701 2105 | FileNameAppend); 2023-09-08T21:26:29,701 | ~~~~~~~~~~~~~~~ 2023-09-08T21:26:29,702 src/framework.c:2329:67: warning: ‘%s’ directive writing up to 255 bytes into a region of size 219 [-Wformat-overflow=] 2023-09-08T21:26:29,702 2329 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d_P1%s.cif", 2023-09-08T21:26:29,703 | ^~ 2023-09-08T21:26:29,704 ...... 2023-09-08T21:26:29,704 2332 | FileNameAppend); 2023-09-08T21:26:29,705 | ~~~~~~~~~~~~~~ 2023-09-08T21:26:29,705 src/framework.c:2329:7: note: ‘sprintf’ output 42 or more bytes (assuming 297) into a destination of size 256 2023-09-08T21:26:29,706 2329 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d_P1%s.cif", 2023-09-08T21:26:29,707 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:26:29,707 2330 | CurrentSystem,CurrentFramework,string, 2023-09-08T21:26:29,707 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:26:29,708 2331 | NumberOfUnitCells[CurrentSystem].x,NumberOfUnitCells[CurrentSystem].y,NumberOfUnitCells[CurrentSystem].z, 2023-09-08T21:26:29,708 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:26:29,709 2332 | FileNameAppend); 2023-09-08T21:26:29,709 | ~~~~~~~~~~~~~~~ 2023-09-08T21:26:29,710 src/framework.c:2548:66: warning: ‘%s’ directive writing up to 255 bytes into a region of size 222 [-Wformat-overflow=] 2023-09-08T21:26:29,710 2548 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d%s.cif", 2023-09-08T21:26:29,710 | ^~ 2023-09-08T21:26:29,711 2549 | CurrentSystem,CurrentFramework,string,1,1,1,FileNameAppend); 2023-09-08T21:26:29,711 | ~~~~~~~~~~~~~~ 2023-09-08T21:26:29,712 src/framework.c:2548:9: note: ‘sprintf’ output 39 or more bytes (assuming 294) into a destination of size 256 2023-09-08T21:26:29,713 2548 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d%s.cif", 2023-09-08T21:26:29,713 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:26:29,714 2549 | CurrentSystem,CurrentFramework,string,1,1,1,FileNameAppend); 2023-09-08T21:26:29,714 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:26:32,534 src/framework.c: In function ‘AddBondTypeToDefinitions’: 2023-09-08T21:26:32,540 src/framework.c:6620:18: warning: ‘NumberOfArguments’ may be used uninitialized [-Wmaybe-uninitialized] 2023-09-08T21:26:32,540 6620 | for(j=0;j= num_terms) 2023-09-08T21:32:46,149 | ^~ 2023-09-08T21:32:46,151 src/matrix.c:2286:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2023-09-08T21:32:46,152 2286 | for( i = 0; i < mp; ++i ) 2023-09-08T21:32:46,152 | ^ 2023-09-08T21:32:46,153 src/matrix.c:2290:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2023-09-08T21:32:46,153 2290 | for( j = 0; j < np; ++j ) 2023-09-08T21:32:46,154 | ^ 2023-09-08T21:32:46,154 src/matrix.c:2295:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2023-09-08T21:32:46,155 2295 | for( i = 0; i < np; ++i ) 2023-09-08T21:32:46,155 | ^ 2023-09-08T21:32:46,156 src/matrix.c:2299:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2023-09-08T21:32:46,157 2299 | for( j = 0; j < np; ++j ) 2023-09-08T21:32:46,157 | ^ 2023-09-08T21:32:46,158 src/matrix.c:2304:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2023-09-08T21:32:46,159 2304 | for( i = 0; i < np; ++i ) 2023-09-08T21:32:46,159 | ^ 2023-09-08T21:32:46,160 src/matrix.c:2309:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2023-09-08T21:32:46,160 2309 | for( i = 0; i < np; ++i ) 2023-09-08T21:32:46,161 | ^ 2023-09-08T21:32:46,161 src/matrix.c:2312:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2023-09-08T21:32:46,162 2312 | for( j = 0; j < np; ++j ) 2023-09-08T21:32:46,162 | ^ 2023-09-08T21:32:46,165 src/matrix.c:2257:13: warning: variable ‘vm’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:32:46,165 2257 | double *vm = NULL; 2023-09-08T21:32:46,166 | ^~ 2023-09-08T21:32:50,478 src/matrix.c: In function ‘svdcmp’: 2023-09-08T21:32:50,479 src/matrix.c:2147:37: warning: ‘NM’ may be used uninitialized [-Wmaybe-uninitialized] 2023-09-08T21:32:50,480 2147 | Y = A[j][NM]; 2023-09-08T21:32:50,480 | ^ 2023-09-08T21:32:50,481 src/matrix.c:1945:9: note: ‘NM’ was declared here 2023-09-08T21:32:50,481 1945 | int NM; 2023-09-08T21:32:50,482 | ^~ 2023-09-08T21:32:52,414 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/mc_moves.c -o build/temp.linux-armv7l-cpython-311/src/mc_moves.o 2023-09-08T21:32:52,969 src/mc_moves.c: In function ‘IdentityChangeAdsorbateMove’: 2023-09-08T21:32:52,975 src/mc_moves.c:6154:20: warning: unused variable ‘type’ [-Wunused-variable] 2023-09-08T21:32:52,976 6154 | int i,d,nr_atoms,type; 2023-09-08T21:32:52,976 | ^~~~ 2023-09-08T21:32:52,981 src/mc_moves.c:6154:11: warning: unused variable ‘nr_atoms’ [-Wunused-variable] 2023-09-08T21:32:52,982 6154 | int i,d,nr_atoms,type; 2023-09-08T21:32:52,983 | ^~~~~~~~ 2023-09-08T21:32:52,996 src/mc_moves.c: In function ‘IdentityChangeCationMove’: 2023-09-08T21:32:53,003 src/mc_moves.c:6455:20: warning: unused variable ‘type’ [-Wunused-variable] 2023-09-08T21:32:53,004 6455 | int i,d,nr_atoms,type; 2023-09-08T21:32:53,004 | ^~~~ 2023-09-08T21:32:53,010 src/mc_moves.c:6455:11: warning: unused variable ‘nr_atoms’ [-Wunused-variable] 2023-09-08T21:32:53,010 6455 | int i,d,nr_atoms,type; 2023-09-08T21:32:53,011 | ^~~~~~~~ 2023-09-08T21:32:53,114 src/mc_moves.c: In function ‘VolumeMove’: 2023-09-08T21:32:53,122 src/mc_moves.c:7932:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:32:53,123 7932 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2023-09-08T21:32:53,123 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:32:53,161 src/mc_moves.c: In function ‘BoxShapeChangeMove’: 2023-09-08T21:32:53,170 src/mc_moves.c:8443:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:32:53,171 8443 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2023-09-08T21:32:53,171 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:32:53,187 src/mc_moves.c: In function ‘ParallelTemperingMove’: 2023-09-08T21:32:53,197 src/mc_moves.c:9041:25: warning: variable ‘PartialFugacityB’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:32:53,198 9041 | REAL PartialFugacityA,PartialFugacityB; 2023-09-08T21:32:53,198 | ^~~~~~~~~~~~~~~~ 2023-09-08T21:32:53,207 src/mc_moves.c:9041:8: warning: variable ‘PartialFugacityA’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:32:53,207 9041 | REAL PartialFugacityA,PartialFugacityB; 2023-09-08T21:32:53,208 | ^~~~~~~~~~~~~~~~ 2023-09-08T21:32:53,265 src/mc_moves.c: In function ‘ChiralInversionMove’: 2023-09-08T21:32:53,275 src/mc_moves.c:9804:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:32:53,276 9804 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2023-09-08T21:32:53,276 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:32:53,638 src/mc_moves.c: In function ‘HybridNVEMove’: 2023-09-08T21:32:53,653 src/mc_moves.c:13405:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:32:53,653 13405 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2023-09-08T21:32:53,654 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:32:53,720 src/mc_moves.c: In function ‘HybridNPHMove’: 2023-09-08T21:32:53,736 src/mc_moves.c:13959:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:32:53,736 13959 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2023-09-08T21:32:53,737 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:32:53,812 src/mc_moves.c: In function ‘HybridNPHPRMove’: 2023-09-08T21:32:53,827 src/mc_moves.c:14504:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:32:53,828 14504 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2023-09-08T21:32:53,829 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:32:53,881 src/mc_moves.c: In function ‘CFWangLandauIteration’: 2023-09-08T21:32:53,898 src/mc_moves.c:15099:17: warning: variable ‘MostProbableIndex’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:32:53,899 15099 | int condition,MostProbableIndex; 2023-09-08T21:32:53,900 | ^~~~~~~~~~~~~~~~~ 2023-09-08T21:32:54,721 src/mc_moves.c: In function ‘CFGibbsParticleTransferAdsorbateMove’: 2023-09-08T21:32:54,741 src/mc_moves.c:18867:8: warning: variable ‘Rosen’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:32:54,742 18867 | REAL Rosen,RosenbluthNew,RosenbluthOld; 2023-09-08T21:32:54,743 | ^~~~~ 2023-09-08T21:32:55,021 src/mc_moves.c: In function ‘CFGibbsParticleTransferCationMove’: 2023-09-08T21:32:55,044 src/mc_moves.c:20381:8: warning: variable ‘PartialFugacity’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:32:55,045 20381 | REAL PartialFugacity,UTailDelta[2]; 2023-09-08T21:32:55,045 | ^~~~~~~~~~~~~~~ 2023-09-08T21:32:55,422 src/mc_moves.c: In function ‘CBCFGibbsParticleTransferAdsorbateMove’: 2023-09-08T21:32:55,447 src/mc_moves.c:21956:8: warning: variable ‘Rosen’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:32:55,447 21956 | REAL Rosen,RosenbluthNewA,RosenbluthOldA,RosenbluthNewB,RosenbluthOldB; 2023-09-08T21:32:55,448 | ^~~~~ 2023-09-08T21:32:55,818 src/mc_moves.c: In function ‘CBCFGibbsParticleTransferCationMove’: 2023-09-08T21:32:55,845 src/mc_moves.c:23779:8: warning: variable ‘Rosen’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:32:55,845 23779 | REAL Rosen,RosenbluthNewA,RosenbluthOldA,RosenbluthNewB,RosenbluthOldB; 2023-09-08T21:32:55,846 | ^~~~~ 2023-09-08T21:32:56,064 src/mc_moves.c: In function ‘CFCRXMCLambdaChangeMove’: 2023-09-08T21:32:56,091 src/mc_moves.c:26079:58: warning: implicit declaration of function ‘numberOfReactionMoleculesForComponent’ [-Wimplicit-function-declaration] 2023-09-08T21:32:56,091 26079 | N=Components[i].NumberOfMolecules[CurrentSystem]-numberOfReactionMoleculesForComponent(i); 2023-09-08T21:32:56,092 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:32:56,158 src/mc_moves.c: In function ‘CFRXMCWangLandauIteration’: 2023-09-08T21:32:56,188 src/mc_moves.c:26587:17: warning: variable ‘MostProbableIndex’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:32:56,189 26587 | int condition,MostProbableIndex; 2023-09-08T21:32:56,189 | ^~~~~~~~~~~~~~~~~ 2023-09-08T21:32:56,218 src/mc_moves.c:26586:7: warning: unused variable ‘FractionalMolecule’ [-Wunused-variable] 2023-09-08T21:32:56,219 26586 | int FractionalMolecule,index; 2023-09-08T21:32:56,219 | ^~~~~~~~~~~~~~~~~~ 2023-09-08T21:32:56,257 src/mc_moves.c: In function ‘PrintRXMCStatistics’: 2023-09-08T21:32:56,287 src/mc_moves.c:26708:9: warning: unused variable ‘j’ [-Wunused-variable] 2023-09-08T21:32:56,288 26708 | int i,j,k; 2023-09-08T21:32:56,288 | ^ 2023-09-08T21:32:56,324 src/mc_moves.c: In function ‘AllocateMCMovesMemory’: 2023-09-08T21:32:56,357 src/mc_moves.c:27007:11: warning: unused variable ‘k’ [-Wunused-variable] 2023-09-08T21:32:56,357 27007 | int i,j,k; 2023-09-08T21:32:56,358 | ^ 2023-09-08T21:33:34,907 src/mc_moves.c: In function ‘GibbsParticleTransferAdsorbateMove’: 2023-09-08T21:33:34,919 src/mc_moves.c:11315:37: warning: ‘NetChargeDeltaOld’ may be used uninitialized [-Wmaybe-uninitialized] 2023-09-08T21:33:34,920 11315 | NetChargeSystem[CurrentSystem]+=NetChargeDeltaOld; 2023-09-08T21:33:34,920 | ^~ 2023-09-08T21:33:34,931 src/mc_moves.c:10957:26: note: ‘NetChargeDeltaOld’ was declared here 2023-09-08T21:33:34,932 10957 | REAL NetChargeDeltaNew,NetChargeDeltaOld; 2023-09-08T21:33:34,933 | ^~~~~~~~~~~~~~~~~ 2023-09-08T21:33:34,943 src/mc_moves.c:11193:37: warning: ‘NetChargeDeltaNew’ may be used uninitialized [-Wmaybe-uninitialized] 2023-09-08T21:33:34,944 11193 | NetChargeSystem[CurrentSystem]+=NetChargeDeltaNew; 2023-09-08T21:33:34,945 | ^~ 2023-09-08T21:33:34,956 src/mc_moves.c:10957:8: note: ‘NetChargeDeltaNew’ was declared here 2023-09-08T21:33:34,956 10957 | REAL NetChargeDeltaNew,NetChargeDeltaOld; 2023-09-08T21:33:34,957 | ^~~~~~~~~~~~~~~~~ 2023-09-08T21:33:36,007 src/mc_moves.c: In function ‘GibbsParticleTransferCationMove’: 2023-09-08T21:33:36,019 src/mc_moves.c:11708:37: warning: ‘NetChargeDeltaOld’ may be used uninitialized [-Wmaybe-uninitialized] 2023-09-08T21:33:36,019 11708 | NetChargeSystem[CurrentSystem]+=NetChargeDeltaOld; 2023-09-08T21:33:36,020 | ^~ 2023-09-08T21:33:36,032 src/mc_moves.c:11355:26: note: ‘NetChargeDeltaOld’ was declared here 2023-09-08T21:33:36,032 11355 | REAL NetChargeDeltaNew,NetChargeDeltaOld; 2023-09-08T21:33:36,033 | ^~~~~~~~~~~~~~~~~ 2023-09-08T21:33:36,044 src/mc_moves.c:11586:37: warning: ‘NetChargeDeltaNew’ may be used uninitialized [-Wmaybe-uninitialized] 2023-09-08T21:33:36,044 11586 | NetChargeSystem[CurrentSystem]+=NetChargeDeltaNew; 2023-09-08T21:33:36,045 | ^~ 2023-09-08T21:33:36,056 src/mc_moves.c:11355:8: note: ‘NetChargeDeltaNew’ was declared here 2023-09-08T21:33:36,057 11355 | REAL NetChargeDeltaNew,NetChargeDeltaOld; 2023-09-08T21:33:36,058 | ^~~~~~~~~~~~~~~~~ 2023-09-08T21:33:47,950 src/mc_moves.c: In function ‘CFSwapLambaAdsorbateMove’: 2023-09-08T21:33:47,966 src/mc_moves.c:15841:111: warning: ‘UAdsorbateIntraBondDipoleBondDipoleFirstStep’ may be used uninitialized [-Wmaybe-uninitialized] 2023-09-08T21:33:47,967 15841 | UTotal[CurrentSystem]-=UAdsorbateIntraChargeChargeFirstStep+UAdsorbateIntraChargeBondDipoleFirstStep+UAdsorbateIntraBondDipoleBondDipoleFirstStep; 2023-09-08T21:33:47,967 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:33:47,984 src/mc_moves.c:15220:86: note: ‘UAdsorbateIntraBondDipoleBondDipoleFirstStep’ was declared here 2023-09-08T21:33:47,984 15220 | REAL UAdsorbateIntraChargeChargeFirstStep,UAdsorbateIntraChargeBondDipoleFirstStep,UAdsorbateIntraBondDipoleBondDipoleFirstStep; 2023-09-08T21:33:47,985 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:33:48,000 src/mc_moves.c:15841:70: warning: ‘UAdsorbateIntraChargeBondDipoleFirstStep’ may be used uninitialized [-Wmaybe-uninitialized] 2023-09-08T21:33:48,001 15841 | UTotal[CurrentSystem]-=UAdsorbateIntraChargeChargeFirstStep+UAdsorbateIntraChargeBondDipoleFirstStep+UAdsorbateIntraBondDipoleBondDipoleFirstStep; 2023-09-08T21:33:48,001 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:33:48,017 src/mc_moves.c:15220:45: note: ‘UAdsorbateIntraChargeBondDipoleFirstStep’ was declared here 2023-09-08T21:33:48,018 15220 | REAL UAdsorbateIntraChargeChargeFirstStep,UAdsorbateIntraChargeBondDipoleFirstStep,UAdsorbateIntraBondDipoleBondDipoleFirstStep; 2023-09-08T21:33:48,018 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:33:48,034 src/mc_moves.c:15841:70: warning: ‘UAdsorbateIntraChargeChargeFirstStep’ may be used uninitialized [-Wmaybe-uninitialized] 2023-09-08T21:33:48,034 15841 | UTotal[CurrentSystem]-=UAdsorbateIntraChargeChargeFirstStep+UAdsorbateIntraChargeBondDipoleFirstStep+UAdsorbateIntraBondDipoleBondDipoleFirstStep; 2023-09-08T21:33:48,035 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:33:48,051 src/mc_moves.c:15220:8: note: ‘UAdsorbateIntraChargeChargeFirstStep’ was declared here 2023-09-08T21:33:48,052 15220 | REAL UAdsorbateIntraChargeChargeFirstStep,UAdsorbateIntraChargeBondDipoleFirstStep,UAdsorbateIntraBondDipoleBondDipoleFirstStep; 2023-09-08T21:33:48,052 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:33:48,067 src/mc_moves.c:15788:39: warning: ‘UTailDelta’ may be used uninitialized [-Wmaybe-uninitialized] 2023-09-08T21:33:48,068 15788 | UTailCorrection[CurrentSystem]+=UTailDelta; 2023-09-08T21:33:48,068 | ^~ 2023-09-08T21:33:48,085 src/mc_moves.c:15222:60: note: ‘UTailDelta’ was declared here 2023-09-08T21:33:48,085 15222 | REAL PartialFugacity,LambdaNew,LambdaOld,BiasNew,BiasOld,UTailDelta; 2023-09-08T21:33:48,086 | ^~~~~~~~~~ 2023-09-08T21:33:49,504 src/mc_moves.c: In function ‘CFSwapLambaCationMove’: 2023-09-08T21:33:49,521 src/mc_moves.c:16601:105: warning: ‘UCationIntraBondDipoleBondDipoleFirstStep’ may be used uninitialized [-Wmaybe-uninitialized] 2023-09-08T21:33:49,522 16601 | UTotal[CurrentSystem]-=UCationIntraChargeChargeFirstStep+UCationIntraChargeBondDipoleFirstStep+UCationIntraBondDipoleBondDipoleFirstStep; 2023-09-08T21:33:49,522 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:33:49,539 src/mc_moves.c:15988:80: note: ‘UCationIntraBondDipoleBondDipoleFirstStep’ was declared here 2023-09-08T21:33:49,540 15988 | REAL UCationIntraChargeChargeFirstStep,UCationIntraChargeBondDipoleFirstStep,UCationIntraBondDipoleBondDipoleFirstStep; 2023-09-08T21:33:49,541 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:33:49,557 src/mc_moves.c:16601:67: warning: ‘UCationIntraChargeBondDipoleFirstStep’ may be used uninitialized [-Wmaybe-uninitialized] 2023-09-08T21:33:49,557 16601 | UTotal[CurrentSystem]-=UCationIntraChargeChargeFirstStep+UCationIntraChargeBondDipoleFirstStep+UCationIntraBondDipoleBondDipoleFirstStep; 2023-09-08T21:33:49,558 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:33:49,575 src/mc_moves.c:15988:42: note: ‘UCationIntraChargeBondDipoleFirstStep’ was declared here 2023-09-08T21:33:49,575 15988 | REAL UCationIntraChargeChargeFirstStep,UCationIntraChargeBondDipoleFirstStep,UCationIntraBondDipoleBondDipoleFirstStep; 2023-09-08T21:33:49,576 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:33:49,592 src/mc_moves.c:16601:67: warning: ‘UCationIntraChargeChargeFirstStep’ may be used uninitialized [-Wmaybe-uninitialized] 2023-09-08T21:33:49,592 16601 | UTotal[CurrentSystem]-=UCationIntraChargeChargeFirstStep+UCationIntraChargeBondDipoleFirstStep+UCationIntraBondDipoleBondDipoleFirstStep; 2023-09-08T21:33:49,593 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:33:49,610 src/mc_moves.c:15988:8: note: ‘UCationIntraChargeChargeFirstStep’ was declared here 2023-09-08T21:33:49,611 15988 | REAL UCationIntraChargeChargeFirstStep,UCationIntraChargeBondDipoleFirstStep,UCationIntraBondDipoleBondDipoleFirstStep; 2023-09-08T21:33:49,611 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:33:49,627 src/mc_moves.c:16548:39: warning: ‘UTailDelta’ may be used uninitialized [-Wmaybe-uninitialized] 2023-09-08T21:33:49,628 16548 | UTailCorrection[CurrentSystem]+=UTailDelta; 2023-09-08T21:33:49,628 | ^~ 2023-09-08T21:33:49,645 src/mc_moves.c:15990:60: note: ‘UTailDelta’ was declared here 2023-09-08T21:33:49,646 15990 | REAL PartialFugacity,LambdaNew,LambdaOld,BiasNew,BiasOld,UTailDelta; 2023-09-08T21:33:49,647 | ^~~~~~~~~~ 2023-09-08T21:34:20,657 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/minimization.c -o build/temp.linux-armv7l-cpython-311/src/minimization.o 2023-09-08T21:34:20,952 src/minimization.c: In function ‘ConvertHessianFromCartesianToFractional’: 2023-09-08T21:34:20,955 src/minimization.c:2981:16: warning: unused variable ‘TypeMolB’ [-Wunused-variable] 2023-09-08T21:34:20,955 2981 | int TypeMolA,TypeMolB; 2023-09-08T21:34:20,956 | ^~~~~~~~ 2023-09-08T21:34:20,958 src/minimization.c:2981:7: warning: unused variable ‘TypeMolA’ [-Wunused-variable] 2023-09-08T21:34:20,959 2981 | int TypeMolA,TypeMolB; 2023-09-08T21:34:20,959 | ^~~~~~~~ 2023-09-08T21:34:20,962 src/minimization.c:2980:23: warning: unused variable ‘tempBox’ [-Wunused-variable] 2023-09-08T21:34:20,962 2980 | REAL_MATRIX3x3 H,fH,tempBox; 2023-09-08T21:34:20,963 | ^~~~~~~ 2023-09-08T21:34:20,965 src/minimization.c:2980:20: warning: unused variable ‘fH’ [-Wunused-variable] 2023-09-08T21:34:20,966 2980 | REAL_MATRIX3x3 H,fH,tempBox; 2023-09-08T21:34:20,966 | ^~ 2023-09-08T21:34:20,968 src/minimization.c:2980:18: warning: unused variable ‘H’ [-Wunused-variable] 2023-09-08T21:34:20,969 2980 | REAL_MATRIX3x3 H,fH,tempBox; 2023-09-08T21:34:20,970 | ^ 2023-09-08T21:34:20,972 src/minimization.c:2979:15: warning: unused variable ‘fgrad’ [-Wunused-variable] 2023-09-08T21:34:20,972 2979 | VECTOR grad,fgrad; 2023-09-08T21:34:20,973 | ^~~~~ 2023-09-08T21:34:20,975 src/minimization.c:2979:10: warning: unused variable ‘grad’ [-Wunused-variable] 2023-09-08T21:34:20,976 2979 | VECTOR grad,fgrad; 2023-09-08T21:34:20,976 | ^~~~ 2023-09-08T21:34:20,979 src/minimization.c:2978:13: warning: unused variable ‘Type’ [-Wunused-variable] 2023-09-08T21:34:20,979 2978 | int m,l,A,Type; 2023-09-08T21:34:20,979 | ^~~~ 2023-09-08T21:34:20,982 src/minimization.c:2978:11: warning: unused variable ‘A’ [-Wunused-variable] 2023-09-08T21:34:20,982 2978 | int m,l,A,Type; 2023-09-08T21:34:20,983 | ^ 2023-09-08T21:34:20,985 src/minimization.c:2978:9: warning: unused variable ‘l’ [-Wunused-variable] 2023-09-08T21:34:20,986 2978 | int m,l,A,Type; 2023-09-08T21:34:20,986 | ^ 2023-09-08T21:34:20,989 src/minimization.c:2978:7: warning: unused variable ‘m’ [-Wunused-variable] 2023-09-08T21:34:20,989 2978 | int m,l,A,Type; 2023-09-08T21:34:20,990 | ^ 2023-09-08T21:34:20,992 src/minimization.c:2977:31: warning: unused variable ‘index’ [-Wunused-variable] 2023-09-08T21:34:20,992 2977 | INT_VECTOR3 index_i,index_j,index; 2023-09-08T21:34:20,993 | ^~~~~ 2023-09-08T21:34:20,995 src/minimization.c:2977:23: warning: unused variable ‘index_j’ [-Wunused-variable] 2023-09-08T21:34:20,996 2977 | INT_VECTOR3 index_i,index_j,index; 2023-09-08T21:34:20,996 | ^~~~~~~ 2023-09-08T21:34:20,999 src/minimization.c:2977:15: warning: unused variable ‘index_i’ [-Wunused-variable] 2023-09-08T21:34:20,999 2977 | INT_VECTOR3 index_i,index_j,index; 2023-09-08T21:34:21,000 | ^~~~~~~ 2023-09-08T21:34:21,002 src/minimization.c:2976:10: warning: unused variable ‘f2’ [-Wunused-variable] 2023-09-08T21:34:21,003 2976 | int f1,f2; 2023-09-08T21:34:21,003 | ^~ 2023-09-08T21:34:21,006 src/minimization.c:2976:7: warning: unused variable ‘f1’ [-Wunused-variable] 2023-09-08T21:34:21,006 2976 | int f1,f2; 2023-09-08T21:34:21,007 | ^~ 2023-09-08T21:34:21,009 src/minimization.c:2975:25: warning: unused variable ‘j’ [-Wunused-variable] 2023-09-08T21:34:21,009 2975 | int I,J,ig,jg,ia,ja,i,j; 2023-09-08T21:34:21,010 | ^ 2023-09-08T21:34:21,012 src/minimization.c:2975:23: warning: unused variable ‘i’ [-Wunused-variable] 2023-09-08T21:34:21,013 2975 | int I,J,ig,jg,ia,ja,i,j; 2023-09-08T21:34:21,013 | ^ 2023-09-08T21:34:21,016 src/minimization.c:2975:20: warning: unused variable ‘ja’ [-Wunused-variable] 2023-09-08T21:34:21,016 2975 | int I,J,ig,jg,ia,ja,i,j; 2023-09-08T21:34:21,017 | ^~ 2023-09-08T21:34:21,019 src/minimization.c:2975:17: warning: unused variable ‘ia’ [-Wunused-variable] 2023-09-08T21:34:21,020 2975 | int I,J,ig,jg,ia,ja,i,j; 2023-09-08T21:34:21,020 | ^~ 2023-09-08T21:34:21,022 src/minimization.c:2975:14: warning: unused variable ‘jg’ [-Wunused-variable] 2023-09-08T21:34:21,023 2975 | int I,J,ig,jg,ia,ja,i,j; 2023-09-08T21:34:21,023 | ^~ 2023-09-08T21:34:21,026 src/minimization.c:2975:11: warning: unused variable ‘ig’ [-Wunused-variable] 2023-09-08T21:34:21,026 2975 | int I,J,ig,jg,ia,ja,i,j; 2023-09-08T21:34:21,027 | ^~ 2023-09-08T21:34:21,029 src/minimization.c:2975:9: warning: unused variable ‘J’ [-Wunused-variable] 2023-09-08T21:34:21,030 2975 | int I,J,ig,jg,ia,ja,i,j; 2023-09-08T21:34:21,030 | ^ 2023-09-08T21:34:21,033 src/minimization.c:2975:7: warning: unused variable ‘I’ [-Wunused-variable] 2023-09-08T21:34:21,033 2975 | int I,J,ig,jg,ia,ja,i,j; 2023-09-08T21:34:21,034 | ^ 2023-09-08T21:34:21,040 src/minimization.c: In function ‘CalculateBakerSaddlePointStepSize’: 2023-09-08T21:34:21,044 src/minimization.c:3704:30: warning: variable ‘Lambda2’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:34:21,045 3704 | REAL DXSIZE,Lambda,Lambda1,Lambda2; 2023-09-08T21:34:21,045 | ^~~~~~~ 2023-09-08T21:34:21,048 src/minimization.c:3704:22: warning: variable ‘Lambda1’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:34:21,049 3704 | REAL DXSIZE,Lambda,Lambda1,Lambda2; 2023-09-08T21:34:21,049 | ^~~~~~~ 2023-09-08T21:34:21,100 src/minimization.c: In function ‘BakerMinimization’: 2023-09-08T21:34:21,104 src/minimization.c:4129:8: warning: variable ‘StepSizePrevious’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:34:21,104 4129 | REAL StepSizePrevious,StepSize; 2023-09-08T21:34:21,105 | ^~~~~~~~~~~~~~~~ 2023-09-08T21:34:21,131 src/minimization.c: In function ‘NewtonRaphsonMinimization’: 2023-09-08T21:34:21,136 src/minimization.c:4554:8: warning: variable ‘StepSizePrevious’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:34:21,137 4554 | REAL StepSizePrevious,StepSize; 2023-09-08T21:34:21,137 | ^~~~~~~~~~~~~~~~ 2023-09-08T21:34:21,176 src/minimization.c: In function ‘ComputeElasticConstantsAfterMinimization’: 2023-09-08T21:34:21,181 src/minimization.c:4935:19: warning: variable ‘EigenValues’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:34:21,181 4935 | REAL *Gradient,*EigenValues; 2023-09-08T21:34:21,182 | ^~~~~~~~~~~ 2023-09-08T21:34:32,307 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/minimization_simulation.c -o build/temp.linux-armv7l-cpython-311/src/minimization_simulation.o 2023-09-08T21:34:32,503 src/minimization_simulation.c: In function ‘MinimalizationSimulation’: 2023-09-08T21:34:32,504 src/minimization_simulation.c:60:14: warning: variable ‘ReferenceEnergy’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:34:32,505 60 | REAL Drift,ReferenceEnergy,ran; 2023-09-08T21:34:32,506 | ^~~~~~~~~~~~~~~ 2023-09-08T21:34:32,506 src/minimization_simulation.c:60:8: warning: variable ‘Drift’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:34:32,507 60 | REAL Drift,ReferenceEnergy,ran; 2023-09-08T21:34:32,508 | ^~~~~ 2023-09-08T21:34:32,849 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/molecular_dynamics.c -o build/temp.linux-armv7l-cpython-311/src/molecular_dynamics.o 2023-09-08T21:34:33,655 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/molecule.c -o build/temp.linux-armv7l-cpython-311/src/molecule.o 2023-09-08T21:34:33,941 src/molecule.c: In function ‘ReadComponentDefinition’: 2023-09-08T21:34:33,941 src/molecule.c:1030:7: warning: variable ‘atom_nr’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:34:33,942 1030 | int atom_nr; 2023-09-08T21:34:33,943 | ^~~~~~~ 2023-09-08T21:34:36,953 src/molecule.c: In function ‘ReadPseudoAtomsDefinitions’: 2023-09-08T21:34:36,954 src/molecule.c:515:47: warning: ‘%s’ directive writing up to 255 bytes into a region of size 232 [-Wformat-overflow=] 2023-09-08T21:34:36,955 515 | sprintf(buffer,"%s/share/raspa/forcefield/%s/pseudo_atoms.def",RASPA_DIRECTORY,ForceField); 2023-09-08T21:34:36,956 | ^~ ~~~~~~~~~~ 2023-09-08T21:34:36,957 src/molecule.c:515:5: note: ‘sprintf’ output 42 or more bytes (assuming 297) into a destination of size 256 2023-09-08T21:34:36,957 515 | sprintf(buffer,"%s/share/raspa/forcefield/%s/pseudo_atoms.def",RASPA_DIRECTORY,ForceField); 2023-09-08T21:34:36,958 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:34:41,366 src/molecule.c: In function ‘ReadBiasingProfile’: 2023-09-08T21:34:41,372 src/molecule.c:5571:35: warning: ‘%s’ directive writing up to 255 bytes into a region of size 242 [-Wformat-overflow=] 2023-09-08T21:34:41,372 5571 | sprintf(buffer,"BiasingSpline_%s_%d.dat",Components[comp].Name,comp); 2023-09-08T21:34:41,373 | ^~ 2023-09-08T21:34:41,377 src/molecule.c:5571:5: note: ‘sprintf’ output between 21 and 286 bytes into a destination of size 256 2023-09-08T21:34:41,378 5571 | sprintf(buffer,"BiasingSpline_%s_%d.dat",Components[comp].Name,comp); 2023-09-08T21:34:41,378 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:34:42,369 src/molecule.c: In function ‘ReadComponentDefinition’: 2023-09-08T21:34:42,370 src/molecule.c:1047:21: warning: ‘.def’ directive writing 4 bytes into a region of size between 1 and 256 [-Wformat-overflow=] 2023-09-08T21:34:42,371 1047 | sprintf(buffer,"%s.def",Components[comp].Name); 2023-09-08T21:34:42,371 | ^~~~ 2023-09-08T21:34:42,371 src/molecule.c:1047:3: note: ‘sprintf’ output between 5 and 260 bytes into a destination of size 256 2023-09-08T21:34:42,372 1047 | sprintf(buffer,"%s.def",Components[comp].Name); 2023-09-08T21:34:42,373 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:34:42,373 src/molecule.c:1050:46: warning: ‘%s’ directive writing up to 255 bytes into a region of size 233 [-Wformat-overflow=] 2023-09-08T21:34:42,374 1050 | sprintf(buffer,"%s/share/raspa/molecules/%s/%s.%s", 2023-09-08T21:34:42,374 | ^~ 2023-09-08T21:34:42,375 src/molecule.c:1050:5: note: ‘sprintf’ output 29 or more bytes (assuming 539) into a destination of size 256 2023-09-08T21:34:42,376 1050 | sprintf(buffer,"%s/share/raspa/molecules/%s/%s.%s", 2023-09-08T21:34:42,377 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:34:42,377 1051 | RASPA_DIRECTORY, 2023-09-08T21:34:42,378 | ~~~~~~~~~~~~~~~~ 2023-09-08T21:34:42,379 1052 | Components[comp].MoleculeDefinition, 2023-09-08T21:34:42,379 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:34:42,380 1053 | Components[comp].Name, 2023-09-08T21:34:42,380 | ~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:34:42,381 1054 | "def"); 2023-09-08T21:34:42,382 | ~~~~~~ 2023-09-08T21:34:47,616 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/molecule_properties.c -o build/temp.linux-armv7l-cpython-311/src/molecule_properties.o 2023-09-08T21:34:48,468 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/monte_carlo.c -o build/temp.linux-armv7l-cpython-311/src/monte_carlo.o 2023-09-08T21:34:52,998 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/movies.c -o build/temp.linux-armv7l-cpython-311/src/movies.o 2023-09-08T21:34:53,217 src/movies.c: In function ‘WriteVTK’: 2023-09-08T21:34:53,218 src/movies.c:483:8: warning: unused variable ‘y’ [-Wunused-variable] 2023-09-08T21:34:53,219 483 | REAL y=0.5; 2023-09-08T21:34:53,220 | ^ 2023-09-08T21:34:53,220 src/movies.c:405:10: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:34:53,221 405 | VECTOR fac,pos; 2023-09-08T21:34:53,221 | ^~~ 2023-09-08T21:34:53,231 src/movies.c: In function ‘SamplePDBMovies’: 2023-09-08T21:34:53,232 src/movies.c:1361:7: warning: variable ‘index’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:34:53,233 1361 | int index; 2023-09-08T21:34:53,233 | ^~~~~ 2023-09-08T21:34:53,251 src/movies.c: In function ‘FreeEnergyProfile3D’: 2023-09-08T21:34:53,253 src/movies.c:1875:18: warning: variable ‘InverseCell’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:34:53,253 1875 | REAL_MATRIX3x3 InverseCell; 2023-09-08T21:34:53,253 | ^~~~~~~~~~~ 2023-09-08T21:34:53,254 src/movies.c:1868:13: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:34:53,255 1868 | int x,y,z,typeA,index,temp,start; 2023-09-08T21:34:53,255 | ^~~~~ 2023-09-08T21:34:53,256 src/movies.c:1867:13: warning: unused variable ‘l’ [-Wunused-variable] 2023-09-08T21:34:53,256 1867 | int i,j,k,l; 2023-09-08T21:34:53,257 | ^ 2023-09-08T21:34:53,257 src/movies.c:1867:11: warning: unused variable ‘k’ [-Wunused-variable] 2023-09-08T21:34:53,258 1867 | int i,j,k,l; 2023-09-08T21:34:53,259 | ^ 2023-09-08T21:34:53,260 src/movies.c:1867:9: warning: unused variable ‘j’ [-Wunused-variable] 2023-09-08T21:34:53,260 1867 | int i,j,k,l; 2023-09-08T21:34:53,261 | ^ 2023-09-08T21:34:54,278 src/movies.c: In function ‘WriteVTK’: 2023-09-08T21:34:54,279 src/movies.c:474:38: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 228 and 238 [-Wformat-overflow=] 2023-09-08T21:34:54,280 474 | sprintf(buffer,"VTK/System_%d/Frame%s.vtk",system,FileNameAppend); 2023-09-08T21:34:54,280 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T21:34:54,281 src/movies.c:474:3: note: ‘sprintf’ output between 23 and 288 bytes into a destination of size 256 2023-09-08T21:34:54,282 474 | sprintf(buffer,"VTK/System_%d/Frame%s.vtk",system,FileNameAppend); 2023-09-08T21:34:54,282 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:34:54,283 src/movies.c:640:47: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 219 and 229 [-Wformat-overflow=] 2023-09-08T21:34:54,284 640 | sprintf(buffer,"VTK/System_%d/FrameworkAtoms%s.vtk",system,FileNameAppend); 2023-09-08T21:34:54,284 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T21:34:54,285 src/movies.c:640:3: note: ‘sprintf’ output between 32 and 297 bytes into a destination of size 256 2023-09-08T21:34:54,286 640 | sprintf(buffer,"VTK/System_%d/FrameworkAtoms%s.vtk",system,FileNameAppend); 2023-09-08T21:34:54,286 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:34:54,287 src/movies.c:772:47: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 219 and 229 [-Wformat-overflow=] 2023-09-08T21:34:54,287 772 | sprintf(buffer,"VTK/System_%d/FrameworkBonds%s.vtk",system,FileNameAppend); 2023-09-08T21:34:54,288 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T21:34:54,288 src/movies.c:772:3: note: ‘sprintf’ output between 32 and 297 bytes into a destination of size 256 2023-09-08T21:34:54,289 772 | sprintf(buffer,"VTK/System_%d/FrameworkBonds%s.vtk",system,FileNameAppend); 2023-09-08T21:34:54,290 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:34:54,290 src/movies.c:852:47: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 219 and 229 [-Wformat-overflow=] 2023-09-08T21:34:54,291 852 | sprintf(buffer,"VTK/System_%d/AdsorbateAtoms%s.vtk",system,FileNameAppend); 2023-09-08T21:34:54,292 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T21:34:54,292 src/movies.c:852:3: note: ‘sprintf’ output between 32 and 297 bytes into a destination of size 256 2023-09-08T21:34:54,292 852 | sprintf(buffer,"VTK/System_%d/AdsorbateAtoms%s.vtk",system,FileNameAppend); 2023-09-08T21:34:54,293 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:34:54,293 src/movies.c:1028:45: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 221 and 231 [-Wformat-overflow=] 2023-09-08T21:34:54,294 1028 | sprintf(buffer,"VTK/System_%d/CationsAtoms%s.vtk",system,FileNameAppend); 2023-09-08T21:34:54,294 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T21:34:54,295 src/movies.c:1028:3: note: ‘sprintf’ output between 30 and 295 bytes into a destination of size 256 2023-09-08T21:34:54,295 1028 | sprintf(buffer,"VTK/System_%d/CationsAtoms%s.vtk",system,FileNameAppend); 2023-09-08T21:34:54,296 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:34:54,296 src/movies.c:1245:46: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 217 and 237 [-Wformat-overflow=] 2023-09-08T21:34:54,297 1245 | sprintf(buffer,"VTK/System_%d/Grid_%d%s.vtk",system,l,FileNameAppend); 2023-09-08T21:34:54,297 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T21:34:54,298 src/movies.c:1245:9: note: ‘sprintf’ output between 24 and 299 bytes into a destination of size 256 2023-09-08T21:34:54,298 1245 | sprintf(buffer,"VTK/System_%d/Grid_%d%s.vtk",system,l,FileNameAppend); 2023-09-08T21:34:54,299 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:34:54,300 src/movies.c:1211:46: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 217 and 237 [-Wformat-overflow=] 2023-09-08T21:34:54,300 1211 | sprintf(buffer,"VTK/System_%d/Grid_%d%s.vtk",system,l,FileNameAppend); 2023-09-08T21:34:54,301 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T21:34:54,302 src/movies.c:1211:9: note: ‘sprintf’ output between 24 and 299 bytes into a destination of size 256 2023-09-08T21:34:54,303 1211 | sprintf(buffer,"VTK/System_%d/Grid_%d%s.vtk",system,l,FileNameAppend); 2023-09-08T21:34:54,303 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:34:55,861 src/movies.c: In function ‘WriteMolecule’: 2023-09-08T21:34:55,862 src/movies.c:1332:30: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 236 and 246 [-Wformat-overflow=] 2023-09-08T21:34:55,863 1332 | sprintf(buffer,"molecule_%d%s.vtk",count,FileNameAppend); 2023-09-08T21:34:55,863 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T21:34:55,864 src/movies.c:1332:3: note: ‘sprintf’ output between 15 and 280 bytes into a destination of size 256 2023-09-08T21:34:55,865 1332 | sprintf(buffer,"molecule_%d%s.vtk",count,FileNameAppend); 2023-09-08T21:34:55,866 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:34:56,030 src/movies.c: In function ‘SamplePDBMovies’: 2023-09-08T21:34:56,031 src/movies.c:1554:36: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 5 [-Wformat-truncation=] 2023-09-08T21:34:56,032 1554 | snprintf(AtomName,5,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2023-09-08T21:34:56,033 | ^~~ 2023-09-08T21:34:56,034 src/movies.c:1554:15: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 5 2023-09-08T21:34:56,034 1554 | snprintf(AtomName,5,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2023-09-08T21:34:56,035 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:34:56,035 src/movies.c:1555:35: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 3 [-Wformat-truncation=] 2023-09-08T21:34:56,036 1555 | snprintf(Element,3,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2023-09-08T21:34:56,036 | ^~~ 2023-09-08T21:34:56,037 src/movies.c:1555:15: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 3 2023-09-08T21:34:56,037 1555 | snprintf(Element,3,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2023-09-08T21:34:56,037 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:34:56,038 src/movies.c:1594:34: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 5 [-Wformat-truncation=] 2023-09-08T21:34:56,038 1594 | snprintf(AtomName,5,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2023-09-08T21:34:56,039 | ^~~ 2023-09-08T21:34:56,039 src/movies.c:1594:13: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 5 2023-09-08T21:34:56,039 1594 | snprintf(AtomName,5,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2023-09-08T21:34:56,040 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:34:56,040 src/movies.c:1595:33: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 3 [-Wformat-truncation=] 2023-09-08T21:34:56,041 1595 | snprintf(Element,3,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2023-09-08T21:34:56,041 | ^~~ 2023-09-08T21:34:56,042 src/movies.c:1595:13: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 3 2023-09-08T21:34:56,042 1595 | snprintf(Element,3,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2023-09-08T21:34:56,043 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:34:56,043 src/movies.c:1630:34: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 5 [-Wformat-truncation=] 2023-09-08T21:34:56,044 1630 | snprintf(AtomName,5,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2023-09-08T21:34:56,044 | ^~~ 2023-09-08T21:34:56,045 src/movies.c:1630:13: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 5 2023-09-08T21:34:56,045 1630 | snprintf(AtomName,5,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2023-09-08T21:34:56,046 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:34:56,046 src/movies.c:1631:33: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 3 [-Wformat-truncation=] 2023-09-08T21:34:56,047 1631 | snprintf(Element,3,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2023-09-08T21:34:56,048 | ^~~ 2023-09-08T21:34:56,048 src/movies.c:1631:13: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 3 2023-09-08T21:34:56,049 1631 | snprintf(Element,3,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2023-09-08T21:34:56,050 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:34:56,843 src/movies.c: In function ‘FreeEnergyProfile3D’: 2023-09-08T21:34:56,846 src/movies.c:1990:53: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 217 and 227 [-Wformat-overflow=] 2023-09-08T21:34:56,846 1990 | sprintf(buffer,"VTK/System_%d/FrameworkSurface%s.vtk",CurrentSystem,FileNameAppend); 2023-09-08T21:34:56,847 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T21:34:56,848 src/movies.c:1990:7: note: ‘sprintf’ output between 34 and 299 bytes into a destination of size 256 2023-09-08T21:34:56,848 1990 | sprintf(buffer,"VTK/System_%d/FrameworkSurface%s.vtk",CurrentSystem,FileNameAppend); 2023-09-08T21:34:56,849 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:34:57,298 src/movies.c: In function ‘WriteSnapshotTinker’: 2023-09-08T21:34:57,301 src/movies.c:2202:49: warning: ‘%s’ directive writing up to 255 bytes into a region of size 231 [-Wformat-overflow=] 2023-09-08T21:34:57,301 2202 | sprintf(buffer,"Tinker/System_%d/Snapshot_%s%s.txyz",CurrentSystem,string,FileNameAppend); 2023-09-08T21:34:57,302 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T21:34:57,303 src/movies.c:2202:5: note: ‘sprintf’ output 31 or more bytes (assuming 286) into a destination of size 256 2023-09-08T21:34:57,303 2202 | sprintf(buffer,"Tinker/System_%d/Snapshot_%s%s.txyz",CurrentSystem,string,FileNameAppend); 2023-09-08T21:34:57,304 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:34:57,305 src/movies.c:2223:31: warning: ‘%3s’ directive writing between 3 and 31 bytes into a region of size 10 [-Wformat-overflow=] 2023-09-08T21:34:57,305 2223 | sprintf(AtomName,"%3s",PseudoAtoms[Type].PrintToPDBName); 2023-09-08T21:34:57,306 | ^~~ 2023-09-08T21:34:57,307 src/movies.c:2223:13: note: ‘sprintf’ output between 4 and 32 bytes into a destination of size 10 2023-09-08T21:34:57,307 2223 | sprintf(AtomName,"%3s",PseudoAtoms[Type].PrintToPDBName); 2023-09-08T21:34:57,308 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:34:57,309 src/movies.c:2245:29: warning: ‘%3s’ directive writing between 3 and 31 bytes into a region of size 10 [-Wformat-overflow=] 2023-09-08T21:34:57,310 2245 | sprintf(AtomName,"%3s",PseudoAtoms[Adsorbates[CurrentSystem][i].Atoms[j].Type].PrintToPDBName); 2023-09-08T21:34:57,310 | ^~~ 2023-09-08T21:34:57,311 src/movies.c:2245:11: note: ‘sprintf’ output between 4 and 32 bytes into a destination of size 10 2023-09-08T21:34:57,312 2245 | sprintf(AtomName,"%3s",PseudoAtoms[Adsorbates[CurrentSystem][i].Atoms[j].Type].PrintToPDBName); 2023-09-08T21:34:57,312 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:34:57,314 src/movies.c:2259:43: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 225 and 235 [-Wformat-overflow=] 2023-09-08T21:34:57,315 2259 | sprintf(buffer,"Tinker/System_%d/RASPA%s.key",CurrentSystem,FileNameAppend); 2023-09-08T21:34:57,316 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T21:34:57,316 src/movies.c:2259:5: note: ‘sprintf’ output between 26 and 291 bytes into a destination of size 256 2023-09-08T21:34:57,317 2259 | sprintf(buffer,"Tinker/System_%d/RASPA%s.key",CurrentSystem,FileNameAppend); 2023-09-08T21:34:57,318 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:34:57,816 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/numerical.c -o build/temp.linux-armv7l-cpython-311/src/numerical.o 2023-09-08T21:34:58,025 src/numerical.c: In function ‘ComputeGradientsNumerically’: 2023-09-08T21:34:58,026 src/numerical.c:411:8: warning: variable ‘EnergyCentral’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:34:58,027 411 | REAL EnergyCentral,EnergyForward1,EnergyForward2,EnergyBackward1,EnergyBackward2; 2023-09-08T21:34:58,027 | ^~~~~~~~~~~~~ 2023-09-08T21:34:58,028 src/numerical.c:410:14: warning: variable ‘force’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:34:58,028 410 | VECTOR pos,force,derivative; 2023-09-08T21:34:58,029 | ^~~~~ 2023-09-08T21:34:58,029 src/numerical.c:409:7: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:34:58,030 409 | int type; 2023-09-08T21:34:58,030 | ^~~~ 2023-09-08T21:34:58,131 src/numerical.c: In function ‘ComputeStrainDerivativeNumerically’: 2023-09-08T21:34:58,133 src/numerical.c:1863:8: warning: variable ‘EnergyCentral’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:34:58,134 1863 | REAL EnergyCentral,EnergyForward1,EnergyForward2,EnergyBackward1,EnergyBackward2,det; 2023-09-08T21:34:58,134 | ^~~~~~~~~~~~~ 2023-09-08T21:34:58,190 src/numerical.c: In function ‘ComputeStrainSecondDerivativeNumerically’: 2023-09-08T21:34:58,193 src/numerical.c:2897:18: warning: variable ‘StrainDerivativeCentral’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:34:58,193 2897 | REAL_MATRIX3x3 StrainDerivativeCentral,StrainDerivativeForward1,StrainDerivativeForward2; 2023-09-08T21:34:58,194 | ^~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:34:58,211 src/numerical.c: In function ‘TestEnergyForcesHessian’: 2023-09-08T21:34:58,215 src/numerical.c:3965:14: warning: variable ‘vel’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:34:58,216 3965 | VECTOR pos,vel,force; 2023-09-08T21:34:58,216 | ^~~ 2023-09-08T21:34:58,220 src/numerical.c:3964:15: warning: variable ‘AtomType’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:34:58,220 3964 | int MolType,AtomType; 2023-09-08T21:34:58,221 | ^~~~~~~~ 2023-09-08T21:34:58,228 src/numerical.c: In function ‘TestElectricField2’: 2023-09-08T21:34:58,232 src/numerical.c:4059:8: warning: variable ‘EnergyCentral’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:34:58,233 4059 | REAL EnergyCentral,EnergyForward2,EnergyForward1,EnergyBackward1,EnergyBackward2; 2023-09-08T21:34:58,234 | ^~~~~~~~~~~~~ 2023-09-08T21:34:58,261 src/numerical.c: In function ‘ComputeCrossTermNumerically’: 2023-09-08T21:34:58,266 src/numerical.c:4455:7: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:34:58,267 4455 | int type; 2023-09-08T21:34:58,267 | ^~~~ 2023-09-08T21:34:58,281 src/numerical.c: In function ‘AddRemainderOfCrossTermNumerically’: 2023-09-08T21:34:58,285 src/numerical.c:4944:7: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:34:58,286 4944 | int type; 2023-09-08T21:34:58,286 | ^~~~ 2023-09-08T21:34:58,327 src/numerical.c: In function ‘AddRemainderOfBornTermNumerically’: 2023-09-08T21:34:58,332 src/numerical.c:5158:21: warning: unused variable ‘k3’ [-Wunused-variable] 2023-09-08T21:34:58,332 5158 | int n,ncell,k1,k2,k3; 2023-09-08T21:34:58,333 | ^~ 2023-09-08T21:34:58,337 src/numerical.c:5158:18: warning: unused variable ‘k2’ [-Wunused-variable] 2023-09-08T21:34:58,338 5158 | int n,ncell,k1,k2,k3; 2023-09-08T21:34:58,338 | ^~ 2023-09-08T21:34:58,343 src/numerical.c:5158:15: warning: unused variable ‘k1’ [-Wunused-variable] 2023-09-08T21:34:58,343 5158 | int n,ncell,k1,k2,k3; 2023-09-08T21:34:58,344 | ^~ 2023-09-08T21:34:58,348 src/numerical.c:5158:9: warning: unused variable ‘ncell’ [-Wunused-variable] 2023-09-08T21:34:58,349 5158 | int n,ncell,k1,k2,k3; 2023-09-08T21:34:58,350 | ^~~~~ 2023-09-08T21:34:58,354 src/numerical.c:5155:28: warning: unused variable ‘StoredReplicaBox’ [-Wunused-variable] 2023-09-08T21:34:58,354 5155 | REAL_MATRIX3x3 StoredBox,StoredReplicaBox,strain; 2023-09-08T21:34:58,355 | ^~~~~~~~~~~~~~~~ 2023-09-08T21:34:58,360 src/numerical.c:5153:18: warning: variable ‘StrainDerivativeCentral’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:34:58,360 5153 | REAL_MATRIX3x3 StrainDerivativeCentral,StrainDerivativeForward1,StrainDerivativeForward2; 2023-09-08T21:34:58,361 | ^~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T21:34:58,365 src/numerical.c:5152:8: warning: unused variable ‘det’ [-Wunused-variable] 2023-09-08T21:34:58,366 5152 | REAL det; 2023-09-08T21:34:58,366 | ^~~ 2023-09-08T21:34:58,376 src/numerical.c: In function ‘ComputeCrossTermNumericallyMinimalSet’: 2023-09-08T21:34:58,382 src/numerical.c:6290:7: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2023-09-08T21:34:58,383 6290 | int type; 2023-09-08T21:34:58,384 | ^~~~ 2023-09-08T21:35:16,944 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/output.c -o build/temp.linux-armv7l-cpython-311/src/output.o 2023-09-08T21:35:17,043 src/output.c:36:10: fatal error: sys/sysctl.h: No such file or directory 2023-09-08T21:35:17,044 36 | #include 2023-09-08T21:35:17,044 | ^~~~~~~~~~~~~~ 2023-09-08T21:35:17,045 compilation terminated. 2023-09-08T21:35:17,053 error: command '/usr/bin/arm-linux-gnueabihf-gcc' failed with exit code 1 2023-09-08T21:35:17,197 ERROR: [present-rich] python setup.py bdist_wheel exited with 1 2023-09-08T21:35:17,210 [bold magenta]full command[/]: [blue]/usr/bin/python3 -u -c ' 2023-09-08T21:35:17,210 exec(compile('"'"''"'"''"'"' 2023-09-08T21:35:17,210 # This is -- a caller that pip uses to run setup.py 2023-09-08T21:35:17,210 # 2023-09-08T21:35:17,210 # - It imports setuptools before invoking setup.py, to enable projects that directly 2023-09-08T21:35:17,210 # import from `distutils.core` to work with newer packaging standards. 2023-09-08T21:35:17,210 # - It provides a clear error message when setuptools is not installed. 2023-09-08T21:35:17,210 # - It sets `sys.argv[0]` to the underlying `setup.py`, when invoking `setup.py` so 2023-09-08T21:35:17,210 # setuptools doesn'"'"'t think the script is `-c`. This avoids the following warning: 2023-09-08T21:35:17,210 # manifest_maker: standard file '"'"'-c'"'"' not found". 2023-09-08T21:35:17,210 # - It generates a shim setup.py, for handling setup.cfg-only projects. 2023-09-08T21:35:17,210 import os, sys, tokenize 2023-09-08T21:35:17,210 2023-09-08T21:35:17,210 try: 2023-09-08T21:35:17,210 import setuptools 2023-09-08T21:35:17,210 except ImportError as error: 2023-09-08T21:35:17,210 print( 2023-09-08T21:35:17,210 "ERROR: Can not execute `setup.py` since setuptools is not available in " 2023-09-08T21:35:17,210 "the build environment.", 2023-09-08T21:35:17,210 file=sys.stderr, 2023-09-08T21:35:17,210 ) 2023-09-08T21:35:17,210 sys.exit(1) 2023-09-08T21:35:17,210 2023-09-08T21:35:17,210 __file__ = %r 2023-09-08T21:35:17,210 sys.argv[0] = __file__ 2023-09-08T21:35:17,210 2023-09-08T21:35:17,210 if os.path.exists(__file__): 2023-09-08T21:35:17,210 filename = __file__ 2023-09-08T21:35:17,210 with tokenize.open(__file__) as f: 2023-09-08T21:35:17,210 setup_py_code = f.read() 2023-09-08T21:35:17,210 else: 2023-09-08T21:35:17,210 filename = "" 2023-09-08T21:35:17,210 setup_py_code = "from setuptools import setup; setup()" 2023-09-08T21:35:17,210 2023-09-08T21:35:17,210 exec(compile(setup_py_code, filename, "exec")) 2023-09-08T21:35:17,210 '"'"''"'"''"'"' % ('"'"'/tmp/pip-wheel-hwv9x1rv/raspa2_860ef1146056457fa92048bf8374d7d2/setup.py'"'"',), "", "exec"))' bdist_wheel -d /tmp/pip-wheel-ncl75d40[/] 2023-09-08T21:35:17,210 [bold magenta]cwd[/]: /tmp/pip-wheel-hwv9x1rv/raspa2_860ef1146056457fa92048bf8374d7d2/ 2023-09-08T21:35:17,211 Building wheel for raspa2 (setup.py): finished with status 'error' 2023-09-08T21:35:17,212 ERROR: Failed building wheel for raspa2 2023-09-08T21:35:17,213 Running setup.py clean for raspa2 2023-09-08T21:35:17,214 Running command python setup.py clean 2023-09-08T21:35:18,815 running clean 2023-09-08T21:35:18,862 removing 'build/temp.linux-armv7l-cpython-311' (and everything under it) 2023-09-08T21:35:18,879 removing 'build/lib.linux-armv7l-cpython-311' (and everything under it) 2023-09-08T21:35:19,039 'build/bdist.linux-armv7l' does not exist -- can't clean it 2023-09-08T21:35:19,039 'build/scripts-3.11' does not exist -- can't clean it 2023-09-08T21:35:19,040 removing 'build' 2023-09-08T21:35:19,199 Failed to build raspa2 2023-09-08T21:35:19,200 ERROR: Failed to build one or more wheels 2023-09-08T21:35:19,202 Exception information: 2023-09-08T21:35:19,202 Traceback (most recent call last): 2023-09-08T21:35:19,202 File "/usr/local/lib/python3.11/dist-packages/pip/_internal/cli/base_command.py", line 180, in exc_logging_wrapper 2023-09-08T21:35:19,202 status = run_func(*args) 2023-09-08T21:35:19,202 ^^^^^^^^^^^^^^^ 2023-09-08T21:35:19,202 File "/usr/local/lib/python3.11/dist-packages/pip/_internal/cli/req_command.py", line 248, in wrapper 2023-09-08T21:35:19,202 return func(self, options, args) 2023-09-08T21:35:19,202 ^^^^^^^^^^^^^^^^^^^^^^^^^ 2023-09-08T21:35:19,202 File "/usr/local/lib/python3.11/dist-packages/pip/_internal/commands/wheel.py", line 181, in run 2023-09-08T21:35:19,202 raise CommandError("Failed to build one or more wheels") 2023-09-08T21:35:19,202 pip._internal.exceptions.CommandError: Failed to build one or more wheels 2023-09-08T21:35:19,206 Removed build tracker: '/tmp/pip-build-tracker-vub40iv0'