2024-04-26T11:18:15,113 Created temporary directory: /tmp/pip-build-tracker-0rssvgca 2024-04-26T11:18:15,115 Initialized build tracking at /tmp/pip-build-tracker-0rssvgca 2024-04-26T11:18:15,115 Created build tracker: /tmp/pip-build-tracker-0rssvgca 2024-04-26T11:18:15,115 Entered build tracker: /tmp/pip-build-tracker-0rssvgca 2024-04-26T11:18:15,116 Created temporary directory: /tmp/pip-wheel-djq__i08 2024-04-26T11:18:15,120 Created temporary directory: /tmp/pip-ephem-wheel-cache-i663gbfz 2024-04-26T11:18:15,145 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2024-04-26T11:18:15,149 2 location(s) to search for versions of raspa2: 2024-04-26T11:18:15,149 * https://pypi.org/simple/raspa2/ 2024-04-26T11:18:15,149 * https://www.piwheels.org/simple/raspa2/ 2024-04-26T11:18:15,149 Fetching project page and analyzing links: https://pypi.org/simple/raspa2/ 2024-04-26T11:18:15,150 Getting page https://pypi.org/simple/raspa2/ 2024-04-26T11:18:15,151 Found index url https://pypi.org/simple/ 2024-04-26T11:18:15,312 Fetched page https://pypi.org/simple/raspa2/ as application/vnd.pypi.simple.v1+json 2024-04-26T11:18:15,314 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 2024-04-26T11:18:15,315 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 2024-04-26T11:18:15,315 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 2024-04-26T11:18:15,315 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/) 2024-04-26T11:18:15,315 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 2024-04-26T11:18:15,316 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/) 2024-04-26T11:18:15,316 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/) 2024-04-26T11:18:15,316 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 2024-04-26T11:18:15,316 Fetching project page and analyzing links: https://www.piwheels.org/simple/raspa2/ 2024-04-26T11:18:15,317 Getting page https://www.piwheels.org/simple/raspa2/ 2024-04-26T11:18:15,318 Found index url https://www.piwheels.org/simple/ 2024-04-26T11:18:15,388 Fetched page https://www.piwheels.org/simple/raspa2/ as text/html 2024-04-26T11:18:15,393 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.4-cp311-cp311-linux_armv7l.whl#sha256=3b5ee4128d10f5eee7796c3cb97074009fce312e38d21838cdbc8cbcc53a3fd8 (from https://www.piwheels.org/simple/raspa2/) 2024-04-26T11:18:15,394 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.4-cp311-cp311-linux_armv6l.whl#sha256=3b5ee4128d10f5eee7796c3cb97074009fce312e38d21838cdbc8cbcc53a3fd8 (from https://www.piwheels.org/simple/raspa2/) 2024-04-26T11:18:15,394 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/) 2024-04-26T11:18:15,394 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/) 2024-04-26T11:18:15,394 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/) 2024-04-26T11:18:15,395 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/) 2024-04-26T11:18:15,395 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/) 2024-04-26T11:18:15,395 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/) 2024-04-26T11:18:15,395 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/) 2024-04-26T11:18:15,395 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/) 2024-04-26T11:18:15,396 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/) 2024-04-26T11:18:15,396 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/) 2024-04-26T11:18:15,396 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/) 2024-04-26T11:18:15,396 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/) 2024-04-26T11:18:15,396 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/) 2024-04-26T11:18:15,397 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/) 2024-04-26T11:18:15,397 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/) 2024-04-26T11:18:15,397 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/) 2024-04-26T11:18:15,397 Skipping link: not a file: https://www.piwheels.org/simple/raspa2/ 2024-04-26T11:18:15,397 Skipping link: not a file: https://pypi.org/simple/raspa2/ 2024-04-26T11:18:15,415 Given no hashes to check 1 links for project 'raspa2': discarding no candidates 2024-04-26T11:18:15,432 Collecting raspa2==2.0.3 2024-04-26T11:18:15,434 Created temporary directory: /tmp/pip-unpack-wvwn6fhx 2024-04-26T11:18:15,806 Downloading RASPA2-2.0.3.tar.gz (3.2 MB) 2024-04-26T11:18:19,318 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-0rssvgca' 2024-04-26T11:18:19,320 Running setup.py (path:/tmp/pip-wheel-djq__i08/raspa2_e0dded5ca76c49dcb9bf4a849e16d391/setup.py) egg_info for package raspa2 2024-04-26T11:18:19,320 Created temporary directory: /tmp/pip-pip-egg-info-kncaz53a 2024-04-26T11:18:19,321 Preparing metadata (setup.py): started 2024-04-26T11:18:19,322 Running command python setup.py egg_info 2024-04-26T11:18:20,919 running egg_info 2024-04-26T11:18:20,924 creating /tmp/pip-pip-egg-info-kncaz53a/RASPA2.egg-info 2024-04-26T11:18:20,948 writing /tmp/pip-pip-egg-info-kncaz53a/RASPA2.egg-info/PKG-INFO 2024-04-26T11:18:20,952 writing dependency_links to /tmp/pip-pip-egg-info-kncaz53a/RASPA2.egg-info/dependency_links.txt 2024-04-26T11:18:20,954 writing entry points to /tmp/pip-pip-egg-info-kncaz53a/RASPA2.egg-info/entry_points.txt 2024-04-26T11:18:20,956 writing top-level names to /tmp/pip-pip-egg-info-kncaz53a/RASPA2.egg-info/top_level.txt 2024-04-26T11:18:20,957 writing manifest file '/tmp/pip-pip-egg-info-kncaz53a/RASPA2.egg-info/SOURCES.txt' 2024-04-26T11:18:21,121 reading manifest file '/tmp/pip-pip-egg-info-kncaz53a/RASPA2.egg-info/SOURCES.txt' 2024-04-26T11:18:21,123 reading manifest template 'MANIFEST.in' 2024-04-26T11:18:21,691 writing manifest file '/tmp/pip-pip-egg-info-kncaz53a/RASPA2.egg-info/SOURCES.txt' 2024-04-26T11:18:21,835 Preparing metadata (setup.py): finished with status 'done' 2024-04-26T11:18:21,839 Source in /tmp/pip-wheel-djq__i08/raspa2_e0dded5ca76c49dcb9bf4a849e16d391 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 2024-04-26T11:18:21,840 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-0rssvgca' 2024-04-26T11:18:21,844 Created temporary directory: /tmp/pip-unpack-dh0g6es0 2024-04-26T11:18:21,845 Created temporary directory: /tmp/pip-unpack-onmvpn1t 2024-04-26T11:18:21,847 Building wheels for collected packages: raspa2 2024-04-26T11:18:21,851 Created temporary directory: /tmp/pip-wheel-59z6e490 2024-04-26T11:18:21,851 Building wheel for raspa2 (setup.py): started 2024-04-26T11:18:21,852 Destination directory: /tmp/pip-wheel-59z6e490 2024-04-26T11:18:21,852 Running command python setup.py bdist_wheel 2024-04-26T11:18:23,359 running bdist_wheel 2024-04-26T11:18:23,457 running build 2024-04-26T11:18:23,457 running build_py 2024-04-26T11:18:23,485 creating build 2024-04-26T11:18:23,485 creating build/lib.linux-armv7l-cpython-39 2024-04-26T11:18:23,486 creating build/lib.linux-armv7l-cpython-39/RASPA2 2024-04-26T11:18:23,487 copying python/__init__.py -> build/lib.linux-armv7l-cpython-39/RASPA2 2024-04-26T11:18:23,489 copying python/output_parser.py -> build/lib.linux-armv7l-cpython-39/RASPA2 2024-04-26T11:18:23,490 copying python/raspa2.py -> build/lib.linux-armv7l-cpython-39/RASPA2 2024-04-26T11:18:23,494 running egg_info 2024-04-26T11:18:23,549 writing RASPA2.egg-info/PKG-INFO 2024-04-26T11:18:23,551 writing dependency_links to RASPA2.egg-info/dependency_links.txt 2024-04-26T11:18:23,553 writing entry points to RASPA2.egg-info/entry_points.txt 2024-04-26T11:18:23,555 writing top-level names to RASPA2.egg-info/top_level.txt 2024-04-26T11:18:23,651 reading manifest file 'RASPA2.egg-info/SOURCES.txt' 2024-04-26T11:18:23,681 reading manifest template 'MANIFEST.in' 2024-04-26T11:18:24,247 writing manifest file 'RASPA2.egg-info/SOURCES.txt' 2024-04-26T11:18:24,250 /usr/local/lib/python3.9/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'RASPA2.share.raspa.forcefield.AmirjalayerSchmid' is absent from the `packages` configuration. 2024-04-26T11:18:24,250 !! 2024-04-26T11:18:24,251 ******************************************************************************** 2024-04-26T11:18:24,251 ############################ 2024-04-26T11:18:24,251 # Package would be ignored # 2024-04-26T11:18:24,251 ############################ 2024-04-26T11:18:24,251 Python recognizes 'RASPA2.share.raspa.forcefield.AmirjalayerSchmid' as an importable package[^1], 2024-04-26T11:18:24,251 but it is absent from setuptools' `packages` configuration. 2024-04-26T11:18:24,252 This leads to an ambiguous overall configuration. If you want to distribute this 2024-04-26T11:18:24,252 package, please make sure that 'RASPA2.share.raspa.forcefield.AmirjalayerSchmid' is explicitly added 2024-04-26T11:18:24,252 to the `packages` configuration field. 2024-04-26T11:18:24,252 Alternatively, you can also rely on setuptools' discovery methods 2024-04-26T11:18:24,252 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-04-26T11:18:24,252 instead of `find_packages(...)`/`find:`). 2024-04-26T11:18:24,253 You can read more about "package discovery" on setuptools documentation page: 2024-04-26T11:18:24,253 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-04-26T11:18:24,253 If you don't want 'RASPA2.share.raspa.forcefield.AmirjalayerSchmid' to be distributed and are 2024-04-26T11:18:24,253 already explicitly excluding 'RASPA2.share.raspa.forcefield.AmirjalayerSchmid' via 2024-04-26T11:18:24,253 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-04-26T11:18:24,253 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-04-26T11:18:24,254 combination with a more fine grained `package-data` configuration. 2024-04-26T11:18:24,254 You can read more about "package data files" on setuptools documentation page: 2024-04-26T11:18:24,254 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-04-26T11:18:24,254 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-04-26T11:18:24,254 even if it does not contain any `.py` files. 2024-04-26T11:18:24,255 On the other hand, currently there is no concept of package data 2024-04-26T11:18:24,255 directory, all directories are treated like packages. 2024-04-26T11:18:24,255 ******************************************************************************** 2024-04-26T11:18:24,255 !! 2024-04-26T11:18:24,255 check.warn(importable) 2024-04-26T11:18:24,255 /usr/local/lib/python3.9/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'RASPA2.share.raspa.forcefield.CastilloVlugtCalero2009' is absent from the `packages` configuration. 2024-04-26T11:18:24,256 !! 2024-04-26T11:18:24,256 ******************************************************************************** 2024-04-26T11:18:24,256 ############################ 2024-04-26T11:18:24,256 # Package would be ignored # 2024-04-26T11:18:24,256 ############################ 2024-04-26T11:18:24,256 Python recognizes 'RASPA2.share.raspa.forcefield.CastilloVlugtCalero2009' as an importable package[^1], 2024-04-26T11:18:24,256 but it is absent from setuptools' `packages` configuration. 2024-04-26T11:18:24,257 This leads to an ambiguous overall configuration. If you want to distribute this 2024-04-26T11:18:24,257 package, please make sure that 'RASPA2.share.raspa.forcefield.CastilloVlugtCalero2009' is explicitly added 2024-04-26T11:18:24,257 to the `packages` configuration field. 2024-04-26T11:18:24,257 Alternatively, you can also rely on setuptools' discovery methods 2024-04-26T11:18:24,257 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-04-26T11:18:24,257 instead of `find_packages(...)`/`find:`). 2024-04-26T11:18:24,258 You can read more about "package discovery" on setuptools documentation page: 2024-04-26T11:18:24,258 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-04-26T11:18:24,258 If you don't want 'RASPA2.share.raspa.forcefield.CastilloVlugtCalero2009' to be distributed and are 2024-04-26T11:18:24,258 already explicitly excluding 'RASPA2.share.raspa.forcefield.CastilloVlugtCalero2009' via 2024-04-26T11:18:24,258 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-04-26T11:18:24,258 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-04-26T11:18:24,258 combination with a more fine grained `package-data` configuration. 2024-04-26T11:18:24,259 You can read more about "package data files" on setuptools documentation page: 2024-04-26T11:18:24,259 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-04-26T11:18:24,259 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-04-26T11:18:24,259 even if it does not contain any `.py` files. 2024-04-26T11:18:24,260 On the other hand, currently there is no concept of package data 2024-04-26T11:18:24,260 directory, all directories are treated like packages. 2024-04-26T11:18:24,260 ******************************************************************************** 2024-04-26T11:18:24,260 !! 2024-04-26T11:18:24,260 check.warn(importable) 2024-04-26T11:18:24,260 /usr/local/lib/python3.9/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'RASPA2.share.raspa.forcefield.CoreShellCatlow' is absent from the `packages` configuration. 2024-04-26T11:18:24,260 !! 2024-04-26T11:18:24,261 ******************************************************************************** 2024-04-26T11:18:24,261 ############################ 2024-04-26T11:18:24,261 # Package would be ignored # 2024-04-26T11:18:24,261 ############################ 2024-04-26T11:18:24,261 Python recognizes 'RASPA2.share.raspa.forcefield.CoreShellCatlow' as an importable package[^1], 2024-04-26T11:18:24,261 but it is absent from setuptools' `packages` configuration. 2024-04-26T11:18:24,261 This leads to an ambiguous overall configuration. If you want to distribute this 2024-04-26T11:18:24,262 package, please make sure that 'RASPA2.share.raspa.forcefield.CoreShellCatlow' is explicitly added 2024-04-26T11:18:24,262 to the `packages` configuration field. 2024-04-26T11:18:24,262 Alternatively, you can also rely on setuptools' discovery methods 2024-04-26T11:18:24,262 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-04-26T11:18:24,262 instead of `find_packages(...)`/`find:`). 2024-04-26T11:18:24,262 You can read more about "package discovery" on setuptools documentation page: 2024-04-26T11:18:24,263 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-04-26T11:18:24,263 If you don't want 'RASPA2.share.raspa.forcefield.CoreShellCatlow' to be distributed and are 2024-04-26T11:18:24,263 already explicitly excluding 'RASPA2.share.raspa.forcefield.CoreShellCatlow' via 2024-04-26T11:18:24,263 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-04-26T11:18:24,263 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-04-26T11:18:24,263 combination with a more fine grained `package-data` configuration. 2024-04-26T11:18:24,264 You can read more about "package data files" on setuptools documentation page: 2024-04-26T11:18:24,264 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-04-26T11:18:24,264 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-04-26T11:18:24,264 even if it does not contain any `.py` files. 2024-04-26T11:18:24,264 On the other hand, currently there is no concept of package data 2024-04-26T11:18:24,264 directory, all directories are treated like packages. 2024-04-26T11:18:24,264 ******************************************************************************** 2024-04-26T11:18:24,265 !! 2024-04-26T11:18:24,265 check.warn(importable) 2024-04-26T11:18:24,265 /usr/local/lib/python3.9/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'RASPA2.share.raspa.forcefield.CoreShellSastreGale2005' is absent from the `packages` configuration. 2024-04-26T11:18:24,265 !! 2024-04-26T11:18:24,265 ******************************************************************************** 2024-04-26T11:18:24,265 ############################ 2024-04-26T11:18:24,265 # Package would be ignored # 2024-04-26T11:18:24,266 ############################ 2024-04-26T11:18:24,266 Python recognizes 'RASPA2.share.raspa.forcefield.CoreShellSastreGale2005' as an importable package[^1], 2024-04-26T11:18:24,266 but it is absent from setuptools' `packages` configuration. 2024-04-26T11:18:24,266 This leads to an ambiguous overall configuration. If you want to distribute this 2024-04-26T11:18:24,266 package, please make sure that 'RASPA2.share.raspa.forcefield.CoreShellSastreGale2005' is explicitly added 2024-04-26T11:18:24,266 to the `packages` configuration field. 2024-04-26T11:18:24,266 Alternatively, you can also rely on setuptools' discovery methods 2024-04-26T11:18:24,267 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-04-26T11:18:24,267 instead of `find_packages(...)`/`find:`). 2024-04-26T11:18:24,267 You can read more about "package discovery" on setuptools documentation page: 2024-04-26T11:18:24,267 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-04-26T11:18:24,267 If you don't want 'RASPA2.share.raspa.forcefield.CoreShellSastreGale2005' to be distributed and are 2024-04-26T11:18:24,267 already explicitly excluding 'RASPA2.share.raspa.forcefield.CoreShellSastreGale2005' via 2024-04-26T11:18:24,268 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-04-26T11:18:24,268 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-04-26T11:18:24,268 combination with a more fine grained `package-data` configuration. 2024-04-26T11:18:24,268 You can read more about "package data files" on setuptools documentation page: 2024-04-26T11:18:24,268 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-04-26T11:18:24,268 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-04-26T11:18:24,269 even if it does not contain any `.py` files. 2024-04-26T11:18:24,269 On the other hand, currently there is no concept of package data 2024-04-26T11:18:24,269 directory, all directories are treated like packages. 2024-04-26T11:18:24,269 ******************************************************************************** 2024-04-26T11:18:24,269 !! 2024-04-26T11:18:24,269 check.warn(importable) 2024-04-26T11:18:24,269 /usr/local/lib/python3.9/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'RASPA2.share.raspa.forcefield.CoreShellSchroderSauer' is absent from the `packages` configuration. 2024-04-26T11:18:24,269 !! 2024-04-26T11:18:24,270 ******************************************************************************** 2024-04-26T11:18:24,270 ############################ 2024-04-26T11:18:24,270 # Package would be ignored # 2024-04-26T11:18:24,270 ############################ 2024-04-26T11:18:24,270 Python recognizes 'RASPA2.share.raspa.forcefield.CoreShellSchroderSauer' as an importable package[^1], 2024-04-26T11:18:24,270 but it is absent from setuptools' `packages` configuration. 2024-04-26T11:18:24,270 This leads to an ambiguous overall configuration. If you want to distribute this 2024-04-26T11:18:24,271 package, please make sure that 'RASPA2.share.raspa.forcefield.CoreShellSchroderSauer' is explicitly added 2024-04-26T11:18:24,271 to the `packages` configuration field. 2024-04-26T11:18:24,271 Alternatively, you can also rely on setuptools' discovery methods 2024-04-26T11:18:24,271 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-04-26T11:18:24,271 instead of `find_packages(...)`/`find:`). 2024-04-26T11:18:24,271 You can read more about "package discovery" on setuptools documentation page: 2024-04-26T11:18:24,271 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-04-26T11:18:24,272 If you don't want 'RASPA2.share.raspa.forcefield.CoreShellSchroderSauer' to be distributed and are 2024-04-26T11:18:24,272 already explicitly excluding 'RASPA2.share.raspa.forcefield.CoreShellSchroderSauer' via 2024-04-26T11:18:24,272 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-04-26T11:18:24,272 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-04-26T11:18:24,272 combination with a more fine grained `package-data` configuration. 2024-04-26T11:18:24,273 You can read more about "package data files" on setuptools documentation page: 2024-04-26T11:18:24,273 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-04-26T11:18:24,273 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-04-26T11:18:24,273 even if it does not contain any `.py` files. 2024-04-26T11:18:24,273 On the other hand, currently there is no concept of package data 2024-04-26T11:18:24,273 directory, all directories are treated like packages. 2024-04-26T11:18:24,274 ******************************************************************************** 2024-04-26T11:18:24,274 !! 2024-04-26T11:18:24,274 check.warn(importable) 2024-04-26T11:18:24,274 /usr/local/lib/python3.9/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'RASPA2.share.raspa.forcefield.CrystalGenerator' is absent from the `packages` configuration. 2024-04-26T11:18:24,274 !! 2024-04-26T11:18:24,274 ******************************************************************************** 2024-04-26T11:18:24,274 ############################ 2024-04-26T11:18:24,275 # Package would be ignored # 2024-04-26T11:18:24,275 ############################ 2024-04-26T11:18:24,275 Python recognizes 'RASPA2.share.raspa.forcefield.CrystalGenerator' as an importable package[^1], 2024-04-26T11:18:24,275 but it is absent from setuptools' `packages` configuration. 2024-04-26T11:18:24,275 This leads to an ambiguous overall configuration. If you want to distribute this 2024-04-26T11:18:24,275 package, please make sure that 'RASPA2.share.raspa.forcefield.CrystalGenerator' is explicitly added 2024-04-26T11:18:24,275 to the `packages` configuration field. 2024-04-26T11:18:24,276 Alternatively, you can also rely on setuptools' discovery methods 2024-04-26T11:18:24,276 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-04-26T11:18:24,276 instead of `find_packages(...)`/`find:`). 2024-04-26T11:18:24,276 You can read more about "package discovery" on setuptools documentation page: 2024-04-26T11:18:24,276 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-04-26T11:18:24,276 If you don't want 'RASPA2.share.raspa.forcefield.CrystalGenerator' to be distributed and are 2024-04-26T11:18:24,277 already explicitly excluding 'RASPA2.share.raspa.forcefield.CrystalGenerator' via 2024-04-26T11:18:24,277 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-04-26T11:18:24,277 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-04-26T11:18:24,277 combination with a more fine grained `package-data` configuration. 2024-04-26T11:18:24,277 You can read more about "package data files" on setuptools documentation page: 2024-04-26T11:18:24,277 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-04-26T11:18:24,278 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-04-26T11:18:24,278 even if it does not contain any `.py` files. 2024-04-26T11:18:24,278 On the other hand, currently there is no concept of package data 2024-04-26T11:18:24,278 directory, all directories are treated like packages. 2024-04-26T11:18:24,278 ******************************************************************************** 2024-04-26T11:18:24,278 !! 2024-04-26T11:18:24,278 check.warn(importable) 2024-04-26T11:18:24,278 /usr/local/lib/python3.9/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'RASPA2.share.raspa.forcefield' is absent from the `packages` configuration. 2024-04-26T11:18:24,279 !! 2024-04-26T11:18:24,279 ******************************************************************************** 2024-04-26T11:18:24,279 ############################ 2024-04-26T11:18:24,279 # Package would be ignored # 2024-04-26T11:18:24,279 ############################ 2024-04-26T11:18:24,279 Python recognizes 'RASPA2.share.raspa.forcefield' as an importable package[^1], 2024-04-26T11:18:24,279 but it is absent from setuptools' `packages` configuration. 2024-04-26T11:18:24,280 This leads to an ambiguous overall configuration. If you want to distribute this 2024-04-26T11:18:24,280 package, please make sure that 'RASPA2.share.raspa.forcefield' is explicitly added 2024-04-26T11:18:24,280 to the `packages` configuration field. 2024-04-26T11:18:24,280 Alternatively, you can also rely on setuptools' discovery methods 2024-04-26T11:18:24,280 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-04-26T11:18:24,280 instead of `find_packages(...)`/`find:`). 2024-04-26T11:18:24,280 You can read more about "package discovery" on setuptools documentation page: 2024-04-26T11:18:24,281 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-04-26T11:18:24,281 If you don't want 'RASPA2.share.raspa.forcefield' to be distributed and are 2024-04-26T11:18:24,281 already explicitly excluding 'RASPA2.share.raspa.forcefield' via 2024-04-26T11:18:24,281 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-04-26T11:18:24,281 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-04-26T11:18:24,281 combination with a more fine grained `package-data` configuration. 2024-04-26T11:18:24,281 You can read more about "package data files" on setuptools documentation page: 2024-04-26T11:18:24,282 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-04-26T11:18:24,282 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-04-26T11:18:24,282 even if it does not contain any `.py` files. 2024-04-26T11:18:24,282 On the other hand, currently there is no concept of package data 2024-04-26T11:18:24,282 directory, all directories are treated like packages. 2024-04-26T11:18:24,282 ******************************************************************************** 2024-04-26T11:18:24,283 !! 2024-04-26T11:18:24,283 check.warn(importable) 2024-04-26T11:18:24,283 /usr/local/lib/python3.9/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'RASPA2.share.raspa.forcefield.GarciaPerez2006' is absent from the `packages` configuration. 2024-04-26T11:18:24,283 !! 2024-04-26T11:18:24,283 ******************************************************************************** 2024-04-26T11:18:24,283 ############################ 2024-04-26T11:18:24,283 # Package would be ignored # 2024-04-26T11:18:24,284 ############################ 2024-04-26T11:18:24,284 Python recognizes 'RASPA2.share.raspa.forcefield.GarciaPerez2006' as an importable package[^1], 2024-04-26T11:18:24,284 but it is absent from setuptools' `packages` configuration. 2024-04-26T11:18:24,284 This leads to an ambiguous overall configuration. If you want to distribute this 2024-04-26T11:18:24,284 package, please make sure that 'RASPA2.share.raspa.forcefield.GarciaPerez2006' is explicitly added 2024-04-26T11:18:24,284 to the `packages` configuration field. 2024-04-26T11:18:24,284 Alternatively, you can also rely on setuptools' discovery methods 2024-04-26T11:18:24,284 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-04-26T11:18:24,285 instead of `find_packages(...)`/`find:`). 2024-04-26T11:18:24,285 You can read more about "package discovery" on setuptools documentation page: 2024-04-26T11:18:24,285 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-04-26T11:18:24,285 If you don't want 'RASPA2.share.raspa.forcefield.GarciaPerez2006' to be distributed and are 2024-04-26T11:18:24,285 already explicitly excluding 'RASPA2.share.raspa.forcefield.GarciaPerez2006' via 2024-04-26T11:18:24,285 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-04-26T11:18:24,286 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-04-26T11:18:24,286 combination with a more fine grained `package-data` configuration. 2024-04-26T11:18:24,286 You can read more about "package data files" on setuptools documentation page: 2024-04-26T11:18:24,286 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-04-26T11:18:24,286 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-04-26T11:18:24,287 even if it does not contain any `.py` files. 2024-04-26T11:18:24,287 On the other hand, currently there is no concept of package data 2024-04-26T11:18:24,287 directory, all directories are treated like packages. 2024-04-26T11:18:24,287 ******************************************************************************** 2024-04-26T11:18:24,287 !! 2024-04-26T11:18:24,287 check.warn(importable) 2024-04-26T11:18:24,287 /usr/local/lib/python3.9/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'RASPA2.share.raspa.forcefield.GenericMOFs' is absent from the `packages` configuration. 2024-04-26T11:18:24,287 !! 2024-04-26T11:18:24,288 ******************************************************************************** 2024-04-26T11:18:24,288 ############################ 2024-04-26T11:18:24,288 # Package would be ignored # 2024-04-26T11:18:24,288 ############################ 2024-04-26T11:18:24,288 Python recognizes 'RASPA2.share.raspa.forcefield.GenericMOFs' as an importable package[^1], 2024-04-26T11:18:24,288 but it is absent from setuptools' `packages` configuration. 2024-04-26T11:18:24,288 This leads to an ambiguous overall configuration. If you want to distribute this 2024-04-26T11:18:24,288 package, please make sure that 'RASPA2.share.raspa.forcefield.GenericMOFs' is explicitly added 2024-04-26T11:18:24,289 to the `packages` configuration field. 2024-04-26T11:18:24,289 Alternatively, you can also rely on setuptools' discovery methods 2024-04-26T11:18:24,289 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-04-26T11:18:24,289 instead of `find_packages(...)`/`find:`). 2024-04-26T11:18:24,289 You can read more about "package discovery" on setuptools documentation page: 2024-04-26T11:18:24,290 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-04-26T11:18:24,290 If you don't want 'RASPA2.share.raspa.forcefield.GenericMOFs' to be distributed and are 2024-04-26T11:18:24,290 already explicitly excluding 'RASPA2.share.raspa.forcefield.GenericMOFs' via 2024-04-26T11:18:24,290 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-04-26T11:18:24,290 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-04-26T11:18:24,290 combination with a more fine grained `package-data` configuration. 2024-04-26T11:18:24,290 You can read more about "package data files" on setuptools documentation page: 2024-04-26T11:18:24,291 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-04-26T11:18:24,291 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-04-26T11:18:24,291 even if it does not contain any `.py` files. 2024-04-26T11:18:24,291 On the other hand, currently there is no concept of package data 2024-04-26T11:18:24,291 directory, all directories are treated like packages. 2024-04-26T11:18:24,291 ******************************************************************************** 2024-04-26T11:18:24,292 !! 2024-04-26T11:18:24,292 check.warn(importable) 2024-04-26T11:18:24,292 /usr/local/lib/python3.9/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'RASPA2.share.raspa.forcefield.GenericZeolites' is absent from the `packages` configuration. 2024-04-26T11:18:24,292 !! 2024-04-26T11:18:24,292 ******************************************************************************** 2024-04-26T11:18:24,292 ############################ 2024-04-26T11:18:24,293 # Package would be ignored # 2024-04-26T11:18:24,293 ############################ 2024-04-26T11:18:24,293 Python recognizes 'RASPA2.share.raspa.forcefield.GenericZeolites' as an importable package[^1], 2024-04-26T11:18:24,293 but it is absent from setuptools' `packages` configuration. 2024-04-26T11:18:24,293 This leads to an ambiguous overall configuration. If you want to distribute this 2024-04-26T11:18:24,293 package, please make sure that 'RASPA2.share.raspa.forcefield.GenericZeolites' is explicitly added 2024-04-26T11:18:24,293 to the `packages` configuration field. 2024-04-26T11:18:24,294 Alternatively, you can also rely on setuptools' discovery methods 2024-04-26T11:18:24,294 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-04-26T11:18:24,294 instead of `find_packages(...)`/`find:`). 2024-04-26T11:18:24,294 You can read more about "package discovery" on setuptools documentation page: 2024-04-26T11:18:24,294 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-04-26T11:18:24,294 If you don't want 'RASPA2.share.raspa.forcefield.GenericZeolites' to be distributed and are 2024-04-26T11:18:24,295 already explicitly excluding 'RASPA2.share.raspa.forcefield.GenericZeolites' via 2024-04-26T11:18:24,295 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-04-26T11:18:24,295 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-04-26T11:18:24,295 combination with a more fine grained `package-data` configuration. 2024-04-26T11:18:24,295 You can read more about "package data files" on setuptools documentation page: 2024-04-26T11:18:24,295 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-04-26T11:18:24,296 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-04-26T11:18:24,296 even if it does not contain any `.py` files. 2024-04-26T11:18:24,296 On the other hand, currently there is no concept of package data 2024-04-26T11:18:24,296 directory, all directories are treated like packages. 2024-04-26T11:18:24,296 ******************************************************************************** 2024-04-26T11:18:24,296 !! 2024-04-26T11:18:24,296 check.warn(importable) 2024-04-26T11:18:24,297 /usr/local/lib/python3.9/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'RASPA2.share.raspa.forcefield.Nicholas' is absent from the `packages` configuration. 2024-04-26T11:18:24,297 !! 2024-04-26T11:18:24,297 ******************************************************************************** 2024-04-26T11:18:24,297 ############################ 2024-04-26T11:18:24,297 # Package would be ignored # 2024-04-26T11:18:24,297 ############################ 2024-04-26T11:18:24,297 Python recognizes 'RASPA2.share.raspa.forcefield.Nicholas' as an importable package[^1], 2024-04-26T11:18:24,297 but it is absent from setuptools' `packages` configuration. 2024-04-26T11:18:24,298 This leads to an ambiguous overall configuration. If you want to distribute this 2024-04-26T11:18:24,298 package, please make sure that 'RASPA2.share.raspa.forcefield.Nicholas' is explicitly added 2024-04-26T11:18:24,298 to the `packages` configuration field. 2024-04-26T11:18:24,298 Alternatively, you can also rely on setuptools' discovery methods 2024-04-26T11:18:24,298 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-04-26T11:18:24,298 instead of `find_packages(...)`/`find:`). 2024-04-26T11:18:24,299 You can read more about "package discovery" on setuptools documentation page: 2024-04-26T11:18:24,299 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-04-26T11:18:24,299 If you don't want 'RASPA2.share.raspa.forcefield.Nicholas' to be distributed and are 2024-04-26T11:18:24,299 already explicitly excluding 'RASPA2.share.raspa.forcefield.Nicholas' via 2024-04-26T11:18:24,299 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-04-26T11:18:24,299 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-04-26T11:18:24,300 combination with a more fine grained `package-data` configuration. 2024-04-26T11:18:24,300 You can read more about "package data files" on setuptools documentation page: 2024-04-26T11:18:24,300 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-04-26T11:18:24,300 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-04-26T11:18:24,300 even if it does not contain any `.py` files. 2024-04-26T11:18:24,301 On the other hand, currently there is no concept of package data 2024-04-26T11:18:24,301 directory, all directories are treated like packages. 2024-04-26T11:18:24,301 ******************************************************************************** 2024-04-26T11:18:24,301 !! 2024-04-26T11:18:24,301 check.warn(importable) 2024-04-26T11:18:24,301 /usr/local/lib/python3.9/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'RASPA2.share.raspa.forcefield.Pascual2004' is absent from the `packages` configuration. 2024-04-26T11:18:24,301 !! 2024-04-26T11:18:24,302 ******************************************************************************** 2024-04-26T11:18:24,302 ############################ 2024-04-26T11:18:24,302 # Package would be ignored # 2024-04-26T11:18:24,302 ############################ 2024-04-26T11:18:24,302 Python recognizes 'RASPA2.share.raspa.forcefield.Pascual2004' as an importable package[^1], 2024-04-26T11:18:24,302 but it is absent from setuptools' `packages` configuration. 2024-04-26T11:18:24,302 This leads to an ambiguous overall configuration. If you want to distribute this 2024-04-26T11:18:24,303 package, please make sure that 'RASPA2.share.raspa.forcefield.Pascual2004' is explicitly added 2024-04-26T11:18:24,303 to the `packages` configuration field. 2024-04-26T11:18:24,303 Alternatively, you can also rely on setuptools' discovery methods 2024-04-26T11:18:24,303 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-04-26T11:18:24,303 instead of `find_packages(...)`/`find:`). 2024-04-26T11:18:24,303 You can read more about "package discovery" on setuptools documentation page: 2024-04-26T11:18:24,304 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-04-26T11:18:24,304 If you don't want 'RASPA2.share.raspa.forcefield.Pascual2004' to be distributed and are 2024-04-26T11:18:24,304 already explicitly excluding 'RASPA2.share.raspa.forcefield.Pascual2004' via 2024-04-26T11:18:24,304 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-04-26T11:18:24,304 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-04-26T11:18:24,304 combination with a more fine grained `package-data` configuration. 2024-04-26T11:18:24,304 You can read more about "package data files" on setuptools documentation page: 2024-04-26T11:18:24,305 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-04-26T11:18:24,305 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-04-26T11:18:24,305 even if it does not contain any `.py` files. 2024-04-26T11:18:24,305 On the other hand, currently there is no concept of package data 2024-04-26T11:18:24,305 directory, all directories are treated like packages. 2024-04-26T11:18:24,305 ******************************************************************************** 2024-04-26T11:18:24,306 !! 2024-04-26T11:18:24,306 check.warn(importable) 2024-04-26T11:18:24,306 /usr/local/lib/python3.9/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'RASPA2.share.raspa.forcefield.RigidIonKramer1991' is absent from the `packages` configuration. 2024-04-26T11:18:24,306 !! 2024-04-26T11:18:24,306 ******************************************************************************** 2024-04-26T11:18:24,306 ############################ 2024-04-26T11:18:24,306 # Package would be ignored # 2024-04-26T11:18:24,307 ############################ 2024-04-26T11:18:24,307 Python recognizes 'RASPA2.share.raspa.forcefield.RigidIonKramer1991' as an importable package[^1], 2024-04-26T11:18:24,307 but it is absent from setuptools' `packages` configuration. 2024-04-26T11:18:24,307 This leads to an ambiguous overall configuration. If you want to distribute this 2024-04-26T11:18:24,307 package, please make sure that 'RASPA2.share.raspa.forcefield.RigidIonKramer1991' is explicitly added 2024-04-26T11:18:24,307 to the `packages` configuration field. 2024-04-26T11:18:24,308 Alternatively, you can also rely on setuptools' discovery methods 2024-04-26T11:18:24,308 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-04-26T11:18:24,308 instead of `find_packages(...)`/`find:`). 2024-04-26T11:18:24,308 You can read more about "package discovery" on setuptools documentation page: 2024-04-26T11:18:24,308 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-04-26T11:18:24,308 If you don't want 'RASPA2.share.raspa.forcefield.RigidIonKramer1991' to be distributed and are 2024-04-26T11:18:24,309 already explicitly excluding 'RASPA2.share.raspa.forcefield.RigidIonKramer1991' via 2024-04-26T11:18:24,309 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-04-26T11:18:24,309 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-04-26T11:18:24,309 combination with a more fine grained `package-data` configuration. 2024-04-26T11:18:24,309 You can read more about "package data files" on setuptools documentation page: 2024-04-26T11:18:24,309 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-04-26T11:18:24,310 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-04-26T11:18:24,310 even if it does not contain any `.py` files. 2024-04-26T11:18:24,310 On the other hand, currently there is no concept of package data 2024-04-26T11:18:24,310 directory, all directories are treated like packages. 2024-04-26T11:18:24,310 ******************************************************************************** 2024-04-26T11:18:24,310 !! 2024-04-26T11:18:24,311 check.warn(importable) 2024-04-26T11:18:24,311 /usr/local/lib/python3.9/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'RASPA2.share.raspa.forcefield.TraPPE' is absent from the `packages` configuration. 2024-04-26T11:18:24,311 !! 2024-04-26T11:18:24,311 ******************************************************************************** 2024-04-26T11:18:24,311 ############################ 2024-04-26T11:18:24,311 # Package would be ignored # 2024-04-26T11:18:24,311 ############################ 2024-04-26T11:18:24,311 Python recognizes 'RASPA2.share.raspa.forcefield.TraPPE' as an importable package[^1], 2024-04-26T11:18:24,312 but it is absent from setuptools' `packages` configuration. 2024-04-26T11:18:24,312 This leads to an ambiguous overall configuration. If you want to distribute this 2024-04-26T11:18:24,312 package, please make sure that 'RASPA2.share.raspa.forcefield.TraPPE' is explicitly added 2024-04-26T11:18:24,312 to the `packages` configuration field. 2024-04-26T11:18:24,312 Alternatively, you can also rely on setuptools' discovery methods 2024-04-26T11:18:24,312 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-04-26T11:18:24,312 instead of `find_packages(...)`/`find:`). 2024-04-26T11:18:24,313 You can read more about "package discovery" on setuptools documentation page: 2024-04-26T11:18:24,313 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-04-26T11:18:24,313 If you don't want 'RASPA2.share.raspa.forcefield.TraPPE' to be distributed and are 2024-04-26T11:18:24,313 already explicitly excluding 'RASPA2.share.raspa.forcefield.TraPPE' via 2024-04-26T11:18:24,313 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-04-26T11:18:24,314 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-04-26T11:18:24,314 combination with a more fine grained `package-data` configuration. 2024-04-26T11:18:24,314 You can read more about "package data files" on setuptools documentation page: 2024-04-26T11:18:24,314 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-04-26T11:18:24,314 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-04-26T11:18:24,315 even if it does not contain any `.py` files. 2024-04-26T11:18:24,315 On the other hand, currently there is no concept of package data 2024-04-26T11:18:24,315 directory, all directories are treated like packages. 2024-04-26T11:18:24,315 ******************************************************************************** 2024-04-26T11:18:24,315 !! 2024-04-26T11:18:24,315 check.warn(importable) 2024-04-26T11:18:24,315 /usr/local/lib/python3.9/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'RASPA2.share.raspa.framework.AmirjalayerSchmid' is absent from the `packages` configuration. 2024-04-26T11:18:24,315 !! 2024-04-26T11:18:24,316 ******************************************************************************** 2024-04-26T11:18:24,316 ############################ 2024-04-26T11:18:24,316 # Package would be ignored # 2024-04-26T11:18:24,316 ############################ 2024-04-26T11:18:24,316 Python recognizes 'RASPA2.share.raspa.framework.AmirjalayerSchmid' as an importable package[^1], 2024-04-26T11:18:24,316 but it is absent from setuptools' `packages` configuration. 2024-04-26T11:18:24,316 This leads to an ambiguous overall configuration. If you want to distribute this 2024-04-26T11:18:24,317 package, please make sure that 'RASPA2.share.raspa.framework.AmirjalayerSchmid' is explicitly added 2024-04-26T11:18:24,317 to the `packages` configuration field. 2024-04-26T11:18:24,317 Alternatively, you can also rely on setuptools' discovery methods 2024-04-26T11:18:24,317 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-04-26T11:18:24,317 instead of `find_packages(...)`/`find:`). 2024-04-26T11:18:24,317 You can read more about "package discovery" on setuptools documentation page: 2024-04-26T11:18:24,318 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-04-26T11:18:24,318 If you don't want 'RASPA2.share.raspa.framework.AmirjalayerSchmid' to be distributed and are 2024-04-26T11:18:24,318 already explicitly excluding 'RASPA2.share.raspa.framework.AmirjalayerSchmid' via 2024-04-26T11:18:24,318 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-04-26T11:18:24,318 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-04-26T11:18:24,318 combination with a more fine grained `package-data` configuration. 2024-04-26T11:18:24,318 You can read more about "package data files" on setuptools documentation page: 2024-04-26T11:18:24,319 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-04-26T11:18:24,319 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-04-26T11:18:24,319 even if it does not contain any `.py` files. 2024-04-26T11:18:24,319 On the other hand, currently there is no concept of package data 2024-04-26T11:18:24,319 directory, all directories are treated like packages. 2024-04-26T11:18:24,319 ******************************************************************************** 2024-04-26T11:18:24,320 !! 2024-04-26T11:18:24,320 check.warn(importable) 2024-04-26T11:18:24,320 /usr/local/lib/python3.9/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'RASPA2.share.raspa.framework.CoreShellCatlow' is absent from the `packages` configuration. 2024-04-26T11:18:24,320 !! 2024-04-26T11:18:24,320 ******************************************************************************** 2024-04-26T11:18:24,320 ############################ 2024-04-26T11:18:24,320 # Package would be ignored # 2024-04-26T11:18:24,321 ############################ 2024-04-26T11:18:24,321 Python recognizes 'RASPA2.share.raspa.framework.CoreShellCatlow' as an importable package[^1], 2024-04-26T11:18:24,321 but it is absent from setuptools' `packages` configuration. 2024-04-26T11:18:24,321 This leads to an ambiguous overall configuration. If you want to distribute this 2024-04-26T11:18:24,321 package, please make sure that 'RASPA2.share.raspa.framework.CoreShellCatlow' is explicitly added 2024-04-26T11:18:24,321 to the `packages` configuration field. 2024-04-26T11:18:24,321 Alternatively, you can also rely on setuptools' discovery methods 2024-04-26T11:18:24,322 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-04-26T11:18:24,322 instead of `find_packages(...)`/`find:`). 2024-04-26T11:18:24,322 You can read more about "package discovery" on setuptools documentation page: 2024-04-26T11:18:24,322 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-04-26T11:18:24,322 If you don't want 'RASPA2.share.raspa.framework.CoreShellCatlow' to be distributed and are 2024-04-26T11:18:24,322 already explicitly excluding 'RASPA2.share.raspa.framework.CoreShellCatlow' via 2024-04-26T11:18:24,323 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-04-26T11:18:24,323 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-04-26T11:18:24,323 combination with a more fine grained `package-data` configuration. 2024-04-26T11:18:24,323 You can read more about "package data files" on setuptools documentation page: 2024-04-26T11:18:24,323 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-04-26T11:18:24,324 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-04-26T11:18:24,324 even if it does not contain any `.py` files. 2024-04-26T11:18:24,324 On the other hand, currently there is no concept of package data 2024-04-26T11:18:24,324 directory, all directories are treated like packages. 2024-04-26T11:18:24,324 ******************************************************************************** 2024-04-26T11:18:24,324 !! 2024-04-26T11:18:24,324 check.warn(importable) 2024-04-26T11:18:24,325 /usr/local/lib/python3.9/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'RASPA2.share.raspa.framework.CoreShellSastreGale2005' is absent from the `packages` configuration. 2024-04-26T11:18:24,325 !! 2024-04-26T11:18:24,325 ******************************************************************************** 2024-04-26T11:18:24,325 ############################ 2024-04-26T11:18:24,325 # Package would be ignored # 2024-04-26T11:18:24,325 ############################ 2024-04-26T11:18:24,325 Python recognizes 'RASPA2.share.raspa.framework.CoreShellSastreGale2005' as an importable package[^1], 2024-04-26T11:18:24,325 but it is absent from setuptools' `packages` configuration. 2024-04-26T11:18:24,326 This leads to an ambiguous overall configuration. If you want to distribute this 2024-04-26T11:18:24,326 package, please make sure that 'RASPA2.share.raspa.framework.CoreShellSastreGale2005' is explicitly added 2024-04-26T11:18:24,326 to the `packages` configuration field. 2024-04-26T11:18:24,326 Alternatively, you can also rely on setuptools' discovery methods 2024-04-26T11:18:24,326 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-04-26T11:18:24,326 instead of `find_packages(...)`/`find:`). 2024-04-26T11:18:24,327 You can read more about "package discovery" on setuptools documentation page: 2024-04-26T11:18:24,327 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-04-26T11:18:24,327 If you don't want 'RASPA2.share.raspa.framework.CoreShellSastreGale2005' to be distributed and are 2024-04-26T11:18:24,327 already explicitly excluding 'RASPA2.share.raspa.framework.CoreShellSastreGale2005' via 2024-04-26T11:18:24,327 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-04-26T11:18:24,327 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-04-26T11:18:24,327 combination with a more fine grained `package-data` configuration. 2024-04-26T11:18:24,328 You can read more about "package data files" on setuptools documentation page: 2024-04-26T11:18:24,328 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-04-26T11:18:24,328 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-04-26T11:18:24,328 even if it does not contain any `.py` files. 2024-04-26T11:18:24,328 On the other hand, currently there is no concept of package data 2024-04-26T11:18:24,329 directory, all directories are treated like packages. 2024-04-26T11:18:24,329 ******************************************************************************** 2024-04-26T11:18:24,329 !! 2024-04-26T11:18:24,329 check.warn(importable) 2024-04-26T11:18:24,329 /usr/local/lib/python3.9/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'RASPA2.share.raspa.framework.CoreShellSchroderSauer' is absent from the `packages` configuration. 2024-04-26T11:18:24,329 !! 2024-04-26T11:18:24,329 ******************************************************************************** 2024-04-26T11:18:24,330 ############################ 2024-04-26T11:18:24,330 # Package would be ignored # 2024-04-26T11:18:24,330 ############################ 2024-04-26T11:18:24,330 Python recognizes 'RASPA2.share.raspa.framework.CoreShellSchroderSauer' as an importable package[^1], 2024-04-26T11:18:24,330 but it is absent from setuptools' `packages` configuration. 2024-04-26T11:18:24,330 This leads to an ambiguous overall configuration. If you want to distribute this 2024-04-26T11:18:24,330 package, please make sure that 'RASPA2.share.raspa.framework.CoreShellSchroderSauer' is explicitly added 2024-04-26T11:18:24,330 to the `packages` configuration field. 2024-04-26T11:18:24,331 Alternatively, you can also rely on setuptools' discovery methods 2024-04-26T11:18:24,331 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-04-26T11:18:24,331 instead of `find_packages(...)`/`find:`). 2024-04-26T11:18:24,331 You can read more about "package discovery" on setuptools documentation page: 2024-04-26T11:18:24,331 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-04-26T11:18:24,332 If you don't want 'RASPA2.share.raspa.framework.CoreShellSchroderSauer' to be distributed and are 2024-04-26T11:18:24,332 already explicitly excluding 'RASPA2.share.raspa.framework.CoreShellSchroderSauer' via 2024-04-26T11:18:24,332 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-04-26T11:18:24,332 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-04-26T11:18:24,332 combination with a more fine grained `package-data` configuration. 2024-04-26T11:18:24,332 You can read more about "package data files" on setuptools documentation page: 2024-04-26T11:18:24,332 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-04-26T11:18:24,333 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-04-26T11:18:24,333 even if it does not contain any `.py` files. 2024-04-26T11:18:24,333 On the other hand, currently there is no concept of package data 2024-04-26T11:18:24,333 directory, all directories are treated like packages. 2024-04-26T11:18:24,333 ******************************************************************************** 2024-04-26T11:18:24,333 !! 2024-04-26T11:18:24,334 check.warn(importable) 2024-04-26T11:18:24,334 /usr/local/lib/python3.9/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'RASPA2.share.raspa.framework.Demontis' is absent from the `packages` configuration. 2024-04-26T11:18:24,334 !! 2024-04-26T11:18:24,334 ******************************************************************************** 2024-04-26T11:18:24,334 ############################ 2024-04-26T11:18:24,334 # Package would be ignored # 2024-04-26T11:18:24,334 ############################ 2024-04-26T11:18:24,334 Python recognizes 'RASPA2.share.raspa.framework.Demontis' as an importable package[^1], 2024-04-26T11:18:24,335 but it is absent from setuptools' `packages` configuration. 2024-04-26T11:18:24,335 This leads to an ambiguous overall configuration. If you want to distribute this 2024-04-26T11:18:24,335 package, please make sure that 'RASPA2.share.raspa.framework.Demontis' is explicitly added 2024-04-26T11:18:24,335 to the `packages` configuration field. 2024-04-26T11:18:24,335 Alternatively, you can also rely on setuptools' discovery methods 2024-04-26T11:18:24,335 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-04-26T11:18:24,335 instead of `find_packages(...)`/`find:`). 2024-04-26T11:18:24,336 You can read more about "package discovery" on setuptools documentation page: 2024-04-26T11:18:24,336 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-04-26T11:18:24,336 If you don't want 'RASPA2.share.raspa.framework.Demontis' to be distributed and are 2024-04-26T11:18:24,336 already explicitly excluding 'RASPA2.share.raspa.framework.Demontis' via 2024-04-26T11:18:24,336 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-04-26T11:18:24,336 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-04-26T11:18:24,336 combination with a more fine grained `package-data` configuration. 2024-04-26T11:18:24,337 You can read more about "package data files" on setuptools documentation page: 2024-04-26T11:18:24,337 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-04-26T11:18:24,337 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-04-26T11:18:24,337 even if it does not contain any `.py` files. 2024-04-26T11:18:24,337 On the other hand, currently there is no concept of package data 2024-04-26T11:18:24,338 directory, all directories are treated like packages. 2024-04-26T11:18:24,338 ******************************************************************************** 2024-04-26T11:18:24,338 !! 2024-04-26T11:18:24,338 check.warn(importable) 2024-04-26T11:18:24,338 /usr/local/lib/python3.9/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'RASPA2.share.raspa.framework.DemontisModified' is absent from the `packages` configuration. 2024-04-26T11:18:24,338 !! 2024-04-26T11:18:24,338 ******************************************************************************** 2024-04-26T11:18:24,339 ############################ 2024-04-26T11:18:24,339 # Package would be ignored # 2024-04-26T11:18:24,339 ############################ 2024-04-26T11:18:24,339 Python recognizes 'RASPA2.share.raspa.framework.DemontisModified' as an importable package[^1], 2024-04-26T11:18:24,339 but it is absent from setuptools' `packages` configuration. 2024-04-26T11:18:24,339 This leads to an ambiguous overall configuration. If you want to distribute this 2024-04-26T11:18:24,339 package, please make sure that 'RASPA2.share.raspa.framework.DemontisModified' is explicitly added 2024-04-26T11:18:24,339 to the `packages` configuration field. 2024-04-26T11:18:24,340 Alternatively, you can also rely on setuptools' discovery methods 2024-04-26T11:18:24,340 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-04-26T11:18:24,340 instead of `find_packages(...)`/`find:`). 2024-04-26T11:18:24,340 You can read more about "package discovery" on setuptools documentation page: 2024-04-26T11:18:24,340 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-04-26T11:18:24,341 If you don't want 'RASPA2.share.raspa.framework.DemontisModified' to be distributed and are 2024-04-26T11:18:24,341 already explicitly excluding 'RASPA2.share.raspa.framework.DemontisModified' via 2024-04-26T11:18:24,341 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-04-26T11:18:24,341 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-04-26T11:18:24,341 combination with a more fine grained `package-data` configuration. 2024-04-26T11:18:24,341 You can read more about "package data files" on setuptools documentation page: 2024-04-26T11:18:24,341 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-04-26T11:18:24,342 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-04-26T11:18:24,342 even if it does not contain any `.py` files. 2024-04-26T11:18:24,342 On the other hand, currently there is no concept of package data 2024-04-26T11:18:24,342 directory, all directories are treated like packages. 2024-04-26T11:18:24,342 ******************************************************************************** 2024-04-26T11:18:24,342 !! 2024-04-26T11:18:24,343 check.warn(importable) 2024-04-26T11:18:24,343 /usr/local/lib/python3.9/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'RASPA2.share.raspa.framework' is absent from the `packages` configuration. 2024-04-26T11:18:24,343 !! 2024-04-26T11:18:24,343 ******************************************************************************** 2024-04-26T11:18:24,343 ############################ 2024-04-26T11:18:24,343 # Package would be ignored # 2024-04-26T11:18:24,343 ############################ 2024-04-26T11:18:24,343 Python recognizes 'RASPA2.share.raspa.framework' as an importable package[^1], 2024-04-26T11:18:24,344 but it is absent from setuptools' `packages` configuration. 2024-04-26T11:18:24,344 This leads to an ambiguous overall configuration. If you want to distribute this 2024-04-26T11:18:24,344 package, please make sure that 'RASPA2.share.raspa.framework' is explicitly added 2024-04-26T11:18:24,344 to the `packages` configuration field. 2024-04-26T11:18:24,344 Alternatively, you can also rely on setuptools' discovery methods 2024-04-26T11:18:24,344 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-04-26T11:18:24,344 instead of `find_packages(...)`/`find:`). 2024-04-26T11:18:24,345 You can read more about "package discovery" on setuptools documentation page: 2024-04-26T11:18:24,345 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-04-26T11:18:24,345 If you don't want 'RASPA2.share.raspa.framework' to be distributed and are 2024-04-26T11:18:24,345 already explicitly excluding 'RASPA2.share.raspa.framework' via 2024-04-26T11:18:24,345 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-04-26T11:18:24,345 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-04-26T11:18:24,346 combination with a more fine grained `package-data` configuration. 2024-04-26T11:18:24,346 You can read more about "package data files" on setuptools documentation page: 2024-04-26T11:18:24,346 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-04-26T11:18:24,346 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-04-26T11:18:24,346 even if it does not contain any `.py` files. 2024-04-26T11:18:24,347 On the other hand, currently there is no concept of package data 2024-04-26T11:18:24,347 directory, all directories are treated like packages. 2024-04-26T11:18:24,347 ******************************************************************************** 2024-04-26T11:18:24,347 !! 2024-04-26T11:18:24,347 check.warn(importable) 2024-04-26T11:18:24,347 /usr/local/lib/python3.9/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'RASPA2.share.raspa.framework.Nicholas' is absent from the `packages` configuration. 2024-04-26T11:18:24,347 !! 2024-04-26T11:18:24,347 ******************************************************************************** 2024-04-26T11:18:24,348 ############################ 2024-04-26T11:18:24,348 # Package would be ignored # 2024-04-26T11:18:24,348 ############################ 2024-04-26T11:18:24,348 Python recognizes 'RASPA2.share.raspa.framework.Nicholas' as an importable package[^1], 2024-04-26T11:18:24,348 but it is absent from setuptools' `packages` configuration. 2024-04-26T11:18:24,348 This leads to an ambiguous overall configuration. If you want to distribute this 2024-04-26T11:18:24,348 package, please make sure that 'RASPA2.share.raspa.framework.Nicholas' is explicitly added 2024-04-26T11:18:24,348 to the `packages` configuration field. 2024-04-26T11:18:24,349 Alternatively, you can also rely on setuptools' discovery methods 2024-04-26T11:18:24,349 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-04-26T11:18:24,349 instead of `find_packages(...)`/`find:`). 2024-04-26T11:18:24,349 You can read more about "package discovery" on setuptools documentation page: 2024-04-26T11:18:24,349 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-04-26T11:18:24,350 If you don't want 'RASPA2.share.raspa.framework.Nicholas' to be distributed and are 2024-04-26T11:18:24,350 already explicitly excluding 'RASPA2.share.raspa.framework.Nicholas' via 2024-04-26T11:18:24,350 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-04-26T11:18:24,350 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-04-26T11:18:24,350 combination with a more fine grained `package-data` configuration. 2024-04-26T11:18:24,350 You can read more about "package data files" on setuptools documentation page: 2024-04-26T11:18:24,350 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-04-26T11:18:24,351 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-04-26T11:18:24,351 even if it does not contain any `.py` files. 2024-04-26T11:18:24,351 On the other hand, currently there is no concept of package data 2024-04-26T11:18:24,351 directory, all directories are treated like packages. 2024-04-26T11:18:24,351 ******************************************************************************** 2024-04-26T11:18:24,351 !! 2024-04-26T11:18:24,351 check.warn(importable) 2024-04-26T11:18:24,352 /usr/local/lib/python3.9/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'RASPA2.share.raspa.framework.NicholasModified' is absent from the `packages` configuration. 2024-04-26T11:18:24,352 !! 2024-04-26T11:18:24,352 ******************************************************************************** 2024-04-26T11:18:24,352 ############################ 2024-04-26T11:18:24,352 # Package would be ignored # 2024-04-26T11:18:24,352 ############################ 2024-04-26T11:18:24,352 Python recognizes 'RASPA2.share.raspa.framework.NicholasModified' as an importable package[^1], 2024-04-26T11:18:24,353 but it is absent from setuptools' `packages` configuration. 2024-04-26T11:18:24,353 This leads to an ambiguous overall configuration. If you want to distribute this 2024-04-26T11:18:24,353 package, please make sure that 'RASPA2.share.raspa.framework.NicholasModified' is explicitly added 2024-04-26T11:18:24,353 to the `packages` configuration field. 2024-04-26T11:18:24,353 Alternatively, you can also rely on setuptools' discovery methods 2024-04-26T11:18:24,353 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-04-26T11:18:24,354 instead of `find_packages(...)`/`find:`). 2024-04-26T11:18:24,354 You can read more about "package discovery" on setuptools documentation page: 2024-04-26T11:18:24,354 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-04-26T11:18:24,354 If you don't want 'RASPA2.share.raspa.framework.NicholasModified' to be distributed and are 2024-04-26T11:18:24,354 already explicitly excluding 'RASPA2.share.raspa.framework.NicholasModified' via 2024-04-26T11:18:24,354 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-04-26T11:18:24,355 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-04-26T11:18:24,355 combination with a more fine grained `package-data` configuration. 2024-04-26T11:18:24,355 You can read more about "package data files" on setuptools documentation page: 2024-04-26T11:18:24,355 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-04-26T11:18:24,356 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-04-26T11:18:24,356 even if it does not contain any `.py` files. 2024-04-26T11:18:24,356 On the other hand, currently there is no concept of package data 2024-04-26T11:18:24,356 directory, all directories are treated like packages. 2024-04-26T11:18:24,356 ******************************************************************************** 2024-04-26T11:18:24,356 !! 2024-04-26T11:18:24,356 check.warn(importable) 2024-04-26T11:18:24,356 /usr/local/lib/python3.9/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'RASPA2.share.raspa.molecules.CastilloVlugtCalero2009' is absent from the `packages` configuration. 2024-04-26T11:18:24,357 !! 2024-04-26T11:18:24,357 ******************************************************************************** 2024-04-26T11:18:24,357 ############################ 2024-04-26T11:18:24,357 # Package would be ignored # 2024-04-26T11:18:24,357 ############################ 2024-04-26T11:18:24,357 Python recognizes 'RASPA2.share.raspa.molecules.CastilloVlugtCalero2009' as an importable package[^1], 2024-04-26T11:18:24,357 but it is absent from setuptools' `packages` configuration. 2024-04-26T11:18:24,358 This leads to an ambiguous overall configuration. If you want to distribute this 2024-04-26T11:18:24,358 package, please make sure that 'RASPA2.share.raspa.molecules.CastilloVlugtCalero2009' is explicitly added 2024-04-26T11:18:24,358 to the `packages` configuration field. 2024-04-26T11:18:24,358 Alternatively, you can also rely on setuptools' discovery methods 2024-04-26T11:18:24,358 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-04-26T11:18:24,358 instead of `find_packages(...)`/`find:`). 2024-04-26T11:18:24,358 You can read more about "package discovery" on setuptools documentation page: 2024-04-26T11:18:24,359 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-04-26T11:18:24,359 If you don't want 'RASPA2.share.raspa.molecules.CastilloVlugtCalero2009' to be distributed and are 2024-04-26T11:18:24,359 already explicitly excluding 'RASPA2.share.raspa.molecules.CastilloVlugtCalero2009' via 2024-04-26T11:18:24,359 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-04-26T11:18:24,359 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-04-26T11:18:24,359 combination with a more fine grained `package-data` configuration. 2024-04-26T11:18:24,360 You can read more about "package data files" on setuptools documentation page: 2024-04-26T11:18:24,360 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-04-26T11:18:24,360 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-04-26T11:18:24,360 even if it does not contain any `.py` files. 2024-04-26T11:18:24,360 On the other hand, currently there is no concept of package data 2024-04-26T11:18:24,361 directory, all directories are treated like packages. 2024-04-26T11:18:24,361 ******************************************************************************** 2024-04-26T11:18:24,361 !! 2024-04-26T11:18:24,361 check.warn(importable) 2024-04-26T11:18:24,361 /usr/local/lib/python3.9/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'RASPA2.share.raspa.molecules.EPM2' is absent from the `packages` configuration. 2024-04-26T11:18:24,361 !! 2024-04-26T11:18:24,361 ******************************************************************************** 2024-04-26T11:18:24,362 ############################ 2024-04-26T11:18:24,362 # Package would be ignored # 2024-04-26T11:18:24,362 ############################ 2024-04-26T11:18:24,362 Python recognizes 'RASPA2.share.raspa.molecules.EPM2' as an importable package[^1], 2024-04-26T11:18:24,362 but it is absent from setuptools' `packages` configuration. 2024-04-26T11:18:24,362 This leads to an ambiguous overall configuration. If you want to distribute this 2024-04-26T11:18:24,362 package, please make sure that 'RASPA2.share.raspa.molecules.EPM2' is explicitly added 2024-04-26T11:18:24,362 to the `packages` configuration field. 2024-04-26T11:18:24,363 Alternatively, you can also rely on setuptools' discovery methods 2024-04-26T11:18:24,363 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-04-26T11:18:24,363 instead of `find_packages(...)`/`find:`). 2024-04-26T11:18:24,363 You can read more about "package discovery" on setuptools documentation page: 2024-04-26T11:18:24,363 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-04-26T11:18:24,364 If you don't want 'RASPA2.share.raspa.molecules.EPM2' to be distributed and are 2024-04-26T11:18:24,364 already explicitly excluding 'RASPA2.share.raspa.molecules.EPM2' via 2024-04-26T11:18:24,364 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-04-26T11:18:24,364 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-04-26T11:18:24,364 combination with a more fine grained `package-data` configuration. 2024-04-26T11:18:24,364 You can read more about "package data files" on setuptools documentation page: 2024-04-26T11:18:24,364 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-04-26T11:18:24,365 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-04-26T11:18:24,365 even if it does not contain any `.py` files. 2024-04-26T11:18:24,365 On the other hand, currently there is no concept of package data 2024-04-26T11:18:24,365 directory, all directories are treated like packages. 2024-04-26T11:18:24,365 ******************************************************************************** 2024-04-26T11:18:24,365 !! 2024-04-26T11:18:24,366 check.warn(importable) 2024-04-26T11:18:24,366 /usr/local/lib/python3.9/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'RASPA2.share.raspa.molecules.TraPPE' is absent from the `packages` configuration. 2024-04-26T11:18:24,366 !! 2024-04-26T11:18:24,366 ******************************************************************************** 2024-04-26T11:18:24,366 ############################ 2024-04-26T11:18:24,366 # Package would be ignored # 2024-04-26T11:18:24,366 ############################ 2024-04-26T11:18:24,366 Python recognizes 'RASPA2.share.raspa.molecules.TraPPE' as an importable package[^1], 2024-04-26T11:18:24,367 but it is absent from setuptools' `packages` configuration. 2024-04-26T11:18:24,367 This leads to an ambiguous overall configuration. If you want to distribute this 2024-04-26T11:18:24,367 package, please make sure that 'RASPA2.share.raspa.molecules.TraPPE' is explicitly added 2024-04-26T11:18:24,367 to the `packages` configuration field. 2024-04-26T11:18:24,367 Alternatively, you can also rely on setuptools' discovery methods 2024-04-26T11:18:24,367 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-04-26T11:18:24,367 instead of `find_packages(...)`/`find:`). 2024-04-26T11:18:24,368 You can read more about "package discovery" on setuptools documentation page: 2024-04-26T11:18:24,368 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-04-26T11:18:24,368 If you don't want 'RASPA2.share.raspa.molecules.TraPPE' to be distributed and are 2024-04-26T11:18:24,368 already explicitly excluding 'RASPA2.share.raspa.molecules.TraPPE' via 2024-04-26T11:18:24,368 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-04-26T11:18:24,368 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-04-26T11:18:24,369 combination with a more fine grained `package-data` configuration. 2024-04-26T11:18:24,369 You can read more about "package data files" on setuptools documentation page: 2024-04-26T11:18:24,369 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-04-26T11:18:24,369 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-04-26T11:18:24,369 even if it does not contain any `.py` files. 2024-04-26T11:18:24,370 On the other hand, currently there is no concept of package data 2024-04-26T11:18:24,370 directory, all directories are treated like packages. 2024-04-26T11:18:24,370 ******************************************************************************** 2024-04-26T11:18:24,370 !! 2024-04-26T11:18:24,370 check.warn(importable) 2024-04-26T11:18:24,370 /usr/local/lib/python3.9/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'RASPA2.share.raspa.molecules' is absent from the `packages` configuration. 2024-04-26T11:18:24,370 !! 2024-04-26T11:18:24,371 ******************************************************************************** 2024-04-26T11:18:24,371 ############################ 2024-04-26T11:18:24,371 # Package would be ignored # 2024-04-26T11:18:24,371 ############################ 2024-04-26T11:18:24,371 Python recognizes 'RASPA2.share.raspa.molecules' as an importable package[^1], 2024-04-26T11:18:24,371 but it is absent from setuptools' `packages` configuration. 2024-04-26T11:18:24,371 This leads to an ambiguous overall configuration. If you want to distribute this 2024-04-26T11:18:24,371 package, please make sure that 'RASPA2.share.raspa.molecules' is explicitly added 2024-04-26T11:18:24,372 to the `packages` configuration field. 2024-04-26T11:18:24,372 Alternatively, you can also rely on setuptools' discovery methods 2024-04-26T11:18:24,372 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-04-26T11:18:24,372 instead of `find_packages(...)`/`find:`). 2024-04-26T11:18:24,372 You can read more about "package discovery" on setuptools documentation page: 2024-04-26T11:18:24,372 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-04-26T11:18:24,373 If you don't want 'RASPA2.share.raspa.molecules' to be distributed and are 2024-04-26T11:18:24,373 already explicitly excluding 'RASPA2.share.raspa.molecules' via 2024-04-26T11:18:24,373 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-04-26T11:18:24,373 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-04-26T11:18:24,373 combination with a more fine grained `package-data` configuration. 2024-04-26T11:18:24,373 You can read more about "package data files" on setuptools documentation page: 2024-04-26T11:18:24,374 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-04-26T11:18:24,374 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-04-26T11:18:24,374 even if it does not contain any `.py` files. 2024-04-26T11:18:24,374 On the other hand, currently there is no concept of package data 2024-04-26T11:18:24,374 directory, all directories are treated like packages. 2024-04-26T11:18:24,374 ******************************************************************************** 2024-04-26T11:18:24,375 !! 2024-04-26T11:18:24,375 check.warn(importable) 2024-04-26T11:18:24,375 /usr/local/lib/python3.9/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'RASPA2.share.raspa.src' is absent from the `packages` configuration. 2024-04-26T11:18:24,375 !! 2024-04-26T11:18:24,375 ******************************************************************************** 2024-04-26T11:18:24,375 ############################ 2024-04-26T11:18:24,375 # Package would be ignored # 2024-04-26T11:18:24,375 ############################ 2024-04-26T11:18:24,376 Python recognizes 'RASPA2.share.raspa.src' as an importable package[^1], 2024-04-26T11:18:24,376 but it is absent from setuptools' `packages` configuration. 2024-04-26T11:18:24,376 This leads to an ambiguous overall configuration. If you want to distribute this 2024-04-26T11:18:24,376 package, please make sure that 'RASPA2.share.raspa.src' is explicitly added 2024-04-26T11:18:24,376 to the `packages` configuration field. 2024-04-26T11:18:24,376 Alternatively, you can also rely on setuptools' discovery methods 2024-04-26T11:18:24,376 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-04-26T11:18:24,377 instead of `find_packages(...)`/`find:`). 2024-04-26T11:18:24,377 You can read more about "package discovery" on setuptools documentation page: 2024-04-26T11:18:24,377 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-04-26T11:18:24,377 If you don't want 'RASPA2.share.raspa.src' to be distributed and are 2024-04-26T11:18:24,377 already explicitly excluding 'RASPA2.share.raspa.src' via 2024-04-26T11:18:24,377 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-04-26T11:18:24,378 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-04-26T11:18:24,378 combination with a more fine grained `package-data` configuration. 2024-04-26T11:18:24,378 You can read more about "package data files" on setuptools documentation page: 2024-04-26T11:18:24,378 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-04-26T11:18:24,378 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-04-26T11:18:24,379 even if it does not contain any `.py` files. 2024-04-26T11:18:24,379 On the other hand, currently there is no concept of package data 2024-04-26T11:18:24,379 directory, all directories are treated like packages. 2024-04-26T11:18:24,379 ******************************************************************************** 2024-04-26T11:18:24,379 !! 2024-04-26T11:18:24,379 check.warn(importable) 2024-04-26T11:18:24,379 /usr/local/lib/python3.9/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'RASPA2.share.raspa.structures.block' is absent from the `packages` configuration. 2024-04-26T11:18:24,379 !! 2024-04-26T11:18:24,380 ******************************************************************************** 2024-04-26T11:18:24,380 ############################ 2024-04-26T11:18:24,380 # Package would be ignored # 2024-04-26T11:18:24,380 ############################ 2024-04-26T11:18:24,380 Python recognizes 'RASPA2.share.raspa.structures.block' as an importable package[^1], 2024-04-26T11:18:24,380 but it is absent from setuptools' `packages` configuration. 2024-04-26T11:18:24,380 This leads to an ambiguous overall configuration. If you want to distribute this 2024-04-26T11:18:24,380 package, please make sure that 'RASPA2.share.raspa.structures.block' is explicitly added 2024-04-26T11:18:24,381 to the `packages` configuration field. 2024-04-26T11:18:24,381 Alternatively, you can also rely on setuptools' discovery methods 2024-04-26T11:18:24,381 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-04-26T11:18:24,381 instead of `find_packages(...)`/`find:`). 2024-04-26T11:18:24,381 You can read more about "package discovery" on setuptools documentation page: 2024-04-26T11:18:24,381 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-04-26T11:18:24,382 If you don't want 'RASPA2.share.raspa.structures.block' to be distributed and are 2024-04-26T11:18:24,382 already explicitly excluding 'RASPA2.share.raspa.structures.block' via 2024-04-26T11:18:24,382 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-04-26T11:18:24,382 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-04-26T11:18:24,382 combination with a more fine grained `package-data` configuration. 2024-04-26T11:18:24,382 You can read more about "package data files" on setuptools documentation page: 2024-04-26T11:18:24,383 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-04-26T11:18:24,383 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-04-26T11:18:24,383 even if it does not contain any `.py` files. 2024-04-26T11:18:24,383 On the other hand, currently there is no concept of package data 2024-04-26T11:18:24,383 directory, all directories are treated like packages. 2024-04-26T11:18:24,383 ******************************************************************************** 2024-04-26T11:18:24,384 !! 2024-04-26T11:18:24,384 check.warn(importable) 2024-04-26T11:18:24,384 /usr/local/lib/python3.9/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'RASPA2.share.raspa.structures.cif' is absent from the `packages` configuration. 2024-04-26T11:18:24,384 !! 2024-04-26T11:18:24,384 ******************************************************************************** 2024-04-26T11:18:24,384 ############################ 2024-04-26T11:18:24,384 # Package would be ignored # 2024-04-26T11:18:24,384 ############################ 2024-04-26T11:18:24,385 Python recognizes 'RASPA2.share.raspa.structures.cif' as an importable package[^1], 2024-04-26T11:18:24,385 but it is absent from setuptools' `packages` configuration. 2024-04-26T11:18:24,385 This leads to an ambiguous overall configuration. If you want to distribute this 2024-04-26T11:18:24,385 package, please make sure that 'RASPA2.share.raspa.structures.cif' is explicitly added 2024-04-26T11:18:24,385 to the `packages` configuration field. 2024-04-26T11:18:24,385 Alternatively, you can also rely on setuptools' discovery methods 2024-04-26T11:18:24,385 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-04-26T11:18:24,386 instead of `find_packages(...)`/`find:`). 2024-04-26T11:18:24,386 You can read more about "package discovery" on setuptools documentation page: 2024-04-26T11:18:24,386 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-04-26T11:18:24,386 If you don't want 'RASPA2.share.raspa.structures.cif' to be distributed and are 2024-04-26T11:18:24,386 already explicitly excluding 'RASPA2.share.raspa.structures.cif' via 2024-04-26T11:18:24,386 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-04-26T11:18:24,387 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-04-26T11:18:24,387 combination with a more fine grained `package-data` configuration. 2024-04-26T11:18:24,387 You can read more about "package data files" on setuptools documentation page: 2024-04-26T11:18:24,387 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-04-26T11:18:24,387 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-04-26T11:18:24,387 even if it does not contain any `.py` files. 2024-04-26T11:18:24,388 On the other hand, currently there is no concept of package data 2024-04-26T11:18:24,388 directory, all directories are treated like packages. 2024-04-26T11:18:24,388 ******************************************************************************** 2024-04-26T11:18:24,388 !! 2024-04-26T11:18:24,388 check.warn(importable) 2024-04-26T11:18:24,388 /usr/local/lib/python3.9/dist-packages/setuptools/command/build_py.py:207: _Warning: Package 'RASPA2.share.raspa.structures.ions' is absent from the `packages` configuration. 2024-04-26T11:18:24,388 !! 2024-04-26T11:18:24,389 ******************************************************************************** 2024-04-26T11:18:24,389 ############################ 2024-04-26T11:18:24,389 # Package would be ignored # 2024-04-26T11:18:24,389 ############################ 2024-04-26T11:18:24,389 Python recognizes 'RASPA2.share.raspa.structures.ions' as an importable package[^1], 2024-04-26T11:18:24,389 but it is absent from setuptools' `packages` configuration. 2024-04-26T11:18:24,389 This leads to an ambiguous overall configuration. If you want to distribute this 2024-04-26T11:18:24,389 package, please make sure that 'RASPA2.share.raspa.structures.ions' is explicitly added 2024-04-26T11:18:24,389 to the `packages` configuration field. 2024-04-26T11:18:24,390 Alternatively, you can also rely on setuptools' discovery methods 2024-04-26T11:18:24,390 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-04-26T11:18:24,390 instead of `find_packages(...)`/`find:`). 2024-04-26T11:18:24,390 You can read more about "package discovery" on setuptools documentation page: 2024-04-26T11:18:24,390 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-04-26T11:18:24,391 If you don't want 'RASPA2.share.raspa.structures.ions' to be distributed and are 2024-04-26T11:18:24,391 already explicitly excluding 'RASPA2.share.raspa.structures.ions' via 2024-04-26T11:18:24,391 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-04-26T11:18:24,391 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-04-26T11:18:24,391 combination with a more fine grained `package-data` configuration. 2024-04-26T11:18:24,391 You can read more about "package data files" on setuptools documentation page: 2024-04-26T11:18:24,391 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-04-26T11:18:24,392 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-04-26T11:18:24,392 even if it does not contain any `.py` files. 2024-04-26T11:18:24,392 On the other hand, currently there is no concept of package data 2024-04-26T11:18:24,392 directory, all directories are treated like packages. 2024-04-26T11:18:24,392 ******************************************************************************** 2024-04-26T11:18:24,392 !! 2024-04-26T11:18:24,393 check.warn(importable) 2024-04-26T11:18:24,412 creating build/lib.linux-armv7l-cpython-39/RASPA2/share 2024-04-26T11:18:24,412 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa 2024-04-26T11:18:24,413 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield 2024-04-26T11:18:24,414 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2024-04-26T11:18:24,415 copying ./forcefield/AmirjalayerSchmid/force_field.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2024-04-26T11:18:24,418 copying ./forcefield/AmirjalayerSchmid/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2024-04-26T11:18:24,420 copying ./forcefield/AmirjalayerSchmid/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2024-04-26T11:18:24,422 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2024-04-26T11:18:24,422 copying ./forcefield/CastilloVlugtCalero2009/force_field.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2024-04-26T11:18:24,424 copying ./forcefield/CastilloVlugtCalero2009/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2024-04-26T11:18:24,426 copying ./forcefield/CastilloVlugtCalero2009/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2024-04-26T11:18:24,428 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CoreShellCatlow 2024-04-26T11:18:24,429 copying ./forcefield/CoreShellCatlow/force_field.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CoreShellCatlow 2024-04-26T11:18:24,431 copying ./forcefield/CoreShellCatlow/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CoreShellCatlow 2024-04-26T11:18:24,433 copying ./forcefield/CoreShellCatlow/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CoreShellCatlow 2024-04-26T11:18:24,435 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2024-04-26T11:18:24,436 copying ./forcefield/CoreShellSastreGale2005/force_field.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2024-04-26T11:18:24,438 copying ./forcefield/CoreShellSastreGale2005/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2024-04-26T11:18:24,440 copying ./forcefield/CoreShellSastreGale2005/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2024-04-26T11:18:24,442 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2024-04-26T11:18:24,443 copying ./forcefield/CoreShellSchroderSauer/force_field.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2024-04-26T11:18:24,445 copying ./forcefield/CoreShellSchroderSauer/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2024-04-26T11:18:24,446 copying ./forcefield/CoreShellSchroderSauer/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2024-04-26T11:18:24,448 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CrystalGenerator 2024-04-26T11:18:24,449 copying ./forcefield/CrystalGenerator/force_field.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CrystalGenerator 2024-04-26T11:18:24,451 copying ./forcefield/CrystalGenerator/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CrystalGenerator 2024-04-26T11:18:24,454 copying ./forcefield/CrystalGenerator/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CrystalGenerator 2024-04-26T11:18:24,456 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2024-04-26T11:18:24,457 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2024-04-26T11:18:24,459 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2024-04-26T11:18:24,461 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-1/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2024-04-26T11:18:24,463 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2024-04-26T11:18:24,464 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2024-04-26T11:18:24,466 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2024-04-26T11:18:24,468 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-10/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2024-04-26T11:18:24,471 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2024-04-26T11:18:24,472 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2024-04-26T11:18:24,474 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2024-04-26T11:18:24,476 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-16/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2024-04-26T11:18:24,478 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2024-04-26T11:18:24,479 copying ./forcefield/Dubbeldam2012MIL-100/force_field.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2024-04-26T11:18:24,481 copying ./forcefield/Dubbeldam2012MIL-100/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2024-04-26T11:18:24,483 copying ./forcefield/Dubbeldam2012MIL-100/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2024-04-26T11:18:24,485 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2024-04-26T11:18:24,486 copying ./forcefield/Dubbeldam2012MIL-101/force_field.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2024-04-26T11:18:24,488 copying ./forcefield/Dubbeldam2012MIL-101/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2024-04-26T11:18:24,490 copying ./forcefield/Dubbeldam2012MIL-101/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2024-04-26T11:18:24,492 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2024-04-26T11:18:24,493 copying ./forcefield/Dzubak2012-IRMOF-1/force_field.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2024-04-26T11:18:24,495 copying ./forcefield/Dzubak2012-IRMOF-1/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2024-04-26T11:18:24,497 copying ./forcefield/Dzubak2012-IRMOF-1/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2024-04-26T11:18:24,499 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2024-04-26T11:18:24,500 copying ./forcefield/Dzubak2012-MgMOF-74/force_field.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2024-04-26T11:18:24,502 copying ./forcefield/Dzubak2012-MgMOF-74/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2024-04-26T11:18:24,504 copying ./forcefield/Dzubak2012-MgMOF-74/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2024-04-26T11:18:24,506 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2024-04-26T11:18:24,507 copying ./forcefield/Dzubak2012-MgMOF-74-extended/force_field.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2024-04-26T11:18:24,509 copying ./forcefield/Dzubak2012-MgMOF-74-extended/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2024-04-26T11:18:24,511 copying ./forcefield/Dzubak2012-MgMOF-74-extended/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2024-04-26T11:18:24,514 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2024-04-26T11:18:24,515 copying ./forcefield/Dzubak2012-ZnMOF-74/force_field.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2024-04-26T11:18:24,517 copying ./forcefield/Dzubak2012-ZnMOF-74/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2024-04-26T11:18:24,519 copying ./forcefield/Dzubak2012-ZnMOF-74/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2024-04-26T11:18:24,521 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/GarciaPerez2006 2024-04-26T11:18:24,522 copying ./forcefield/GarciaPerez2006/force_field.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/GarciaPerez2006 2024-04-26T11:18:24,525 copying ./forcefield/GarciaPerez2006/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/GarciaPerez2006 2024-04-26T11:18:24,526 copying ./forcefield/GarciaPerez2006/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/GarciaPerez2006 2024-04-26T11:18:24,529 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/GenericMOFs 2024-04-26T11:18:24,529 copying ./forcefield/GenericMOFs/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/GenericMOFs 2024-04-26T11:18:24,531 copying ./forcefield/GenericMOFs/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/GenericMOFs 2024-04-26T11:18:24,534 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/GenericZeolites 2024-04-26T11:18:24,535 copying ./forcefield/GenericZeolites/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/GenericZeolites 2024-04-26T11:18:24,537 copying ./forcefield/GenericZeolites/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/GenericZeolites 2024-04-26T11:18:24,539 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2024-04-26T11:18:24,540 copying ./forcefield/MgMOF-74-Yazaydin/force_field.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2024-04-26T11:18:24,542 copying ./forcefield/MgMOF-74-Yazaydin/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2024-04-26T11:18:24,544 copying ./forcefield/MgMOF-74-Yazaydin/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2024-04-26T11:18:24,546 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Nicholas 2024-04-26T11:18:24,547 copying ./forcefield/Nicholas/force_field.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Nicholas 2024-04-26T11:18:24,549 copying ./forcefield/Nicholas/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Nicholas 2024-04-26T11:18:24,551 copying ./forcefield/Nicholas/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Nicholas 2024-04-26T11:18:24,553 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Pascual2004 2024-04-26T11:18:24,554 copying ./forcefield/Pascual2004/force_field.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Pascual2004 2024-04-26T11:18:24,556 copying ./forcefield/Pascual2004/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Pascual2004 2024-04-26T11:18:24,558 copying ./forcefield/Pascual2004/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Pascual2004 2024-04-26T11:18:24,560 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2024-04-26T11:18:24,561 copying ./forcefield/RigidIonKramer1991/force_field.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2024-04-26T11:18:24,563 copying ./forcefield/RigidIonKramer1991/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2024-04-26T11:18:24,565 copying ./forcefield/RigidIonKramer1991/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2024-04-26T11:18:24,567 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/TraPPE 2024-04-26T11:18:24,568 copying ./forcefield/TraPPE/force_field.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/TraPPE 2024-04-26T11:18:24,570 copying ./forcefield/TraPPE/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/TraPPE 2024-04-26T11:18:24,573 copying ./forcefield/TraPPE/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/TraPPE 2024-04-26T11:18:24,575 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/framework 2024-04-26T11:18:24,575 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/framework/AmirjalayerSchmid 2024-04-26T11:18:24,576 copying ./framework/AmirjalayerSchmid/framework.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/framework/AmirjalayerSchmid 2024-04-26T11:18:24,578 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/framework/CoreShellCatlow 2024-04-26T11:18:24,579 copying ./framework/CoreShellCatlow/framework.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/framework/CoreShellCatlow 2024-04-26T11:18:24,581 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/framework/CoreShellSastreGale2005 2024-04-26T11:18:24,582 copying ./framework/CoreShellSastreGale2005/framework.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/framework/CoreShellSastreGale2005 2024-04-26T11:18:24,584 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/framework/CoreShellSchroderSauer 2024-04-26T11:18:24,585 copying ./framework/CoreShellSchroderSauer/framework.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/framework/CoreShellSchroderSauer 2024-04-26T11:18:24,587 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/framework/Demontis 2024-04-26T11:18:24,587 copying ./framework/Demontis/framework.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/framework/Demontis 2024-04-26T11:18:24,590 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/framework/DemontisModified 2024-04-26T11:18:24,590 copying ./framework/DemontisModified/framework.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/framework/DemontisModified 2024-04-26T11:18:24,592 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-1 2024-04-26T11:18:24,593 copying ./framework/Dubbeldam2007FlexibleIRMOF-1/framework.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-1 2024-04-26T11:18:24,595 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-10 2024-04-26T11:18:24,596 copying ./framework/Dubbeldam2007FlexibleIRMOF-10/framework.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-10 2024-04-26T11:18:24,598 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-16 2024-04-26T11:18:24,599 copying ./framework/Dubbeldam2007FlexibleIRMOF-16/framework.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-16 2024-04-26T11:18:24,601 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/framework/Nicholas 2024-04-26T11:18:24,601 copying ./framework/Nicholas/framework.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/framework/Nicholas 2024-04-26T11:18:24,604 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/framework/NicholasModified 2024-04-26T11:18:24,605 copying ./framework/NicholasModified/framework.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/framework/NicholasModified 2024-04-26T11:18:24,607 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules 2024-04-26T11:18:24,607 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2024-04-26T11:18:24,609 copying ./molecules/CastilloVlugtCalero2009/benzene.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2024-04-26T11:18:24,611 copying ./molecules/CastilloVlugtCalero2009/m-xylene.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2024-04-26T11:18:24,613 copying ./molecules/CastilloVlugtCalero2009/o-xylene.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2024-04-26T11:18:24,615 copying ./molecules/CastilloVlugtCalero2009/p-xylene.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2024-04-26T11:18:24,617 copying ./molecules/CastilloVlugtCalero2009/toluene.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2024-04-26T11:18:24,619 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/EPM2 2024-04-26T11:18:24,620 copying ./molecules/EPM2/CO2.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/EPM2 2024-04-26T11:18:24,622 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,623 copying ./molecules/TraPPE/1-butene.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,625 copying ./molecules/TraPPE/2-cis-butene.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,626 copying ./molecules/TraPPE/2-ethyl-2-hexenal-cis.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,628 copying ./molecules/TraPPE/2-ethyl-2-hexenal-trans.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,630 copying ./molecules/TraPPE/2-methylbutane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,633 copying ./molecules/TraPPE/2-methylheptane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,634 copying ./molecules/TraPPE/2-methylhexane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,636 copying ./molecules/TraPPE/2-methylpentane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,638 copying ./molecules/TraPPE/2-trans-butene.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,640 copying ./molecules/TraPPE/22-dimethylbutane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,642 copying ./molecules/TraPPE/22-dimethylhexane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,644 copying ./molecules/TraPPE/22-dimethylpentane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,646 copying ./molecules/TraPPE/223-trimethylbutane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,648 copying ./molecules/TraPPE/224-trimethylpentane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,650 copying ./molecules/TraPPE/22dmC8.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,652 copying ./molecules/TraPPE/23-dimethylbutane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,655 copying ./molecules/TraPPE/23-dimethylhexane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,657 copying ./molecules/TraPPE/23-dimethylpentane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,659 copying ./molecules/TraPPE/24-dimethylhexane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,661 copying ./molecules/TraPPE/24-dimethylpentane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,663 copying ./molecules/TraPPE/24dmC8.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,665 copying ./molecules/TraPPE/25-dimethylhexane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,667 copying ./molecules/TraPPE/27dmC8.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,669 copying ./molecules/TraPPE/2mC9.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,671 copying ./molecules/TraPPE/3-methylheptane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,673 copying ./molecules/TraPPE/3-methylhexane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,675 copying ./molecules/TraPPE/3-methylpentane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,677 copying ./molecules/TraPPE/33-dimethylhexane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,679 copying ./molecules/TraPPE/33-dimethylpentane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,681 copying ./molecules/TraPPE/3mC9.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,683 copying ./molecules/TraPPE/4-methylheptane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,685 copying ./molecules/TraPPE/44methylethyloctane_L.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,687 copying ./molecules/TraPPE/44methylethyloctane_R.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,689 copying ./molecules/TraPPE/4mC9.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,691 copying ./molecules/TraPPE/AsH3.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,693 copying ./molecules/TraPPE/BDC.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,695 copying ./molecules/TraPPE/C1.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,696 copying ./molecules/TraPPE/C10.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,698 copying ./molecules/TraPPE/C11.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,700 copying ./molecules/TraPPE/C12.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,702 copying ./molecules/TraPPE/C13.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,705 copying ./molecules/TraPPE/C14.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,706 copying ./molecules/TraPPE/C15.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,709 copying ./molecules/TraPPE/C16.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,711 copying ./molecules/TraPPE/C17.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,713 copying ./molecules/TraPPE/C18.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,715 copying ./molecules/TraPPE/C19.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,717 copying ./molecules/TraPPE/C2.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,719 copying ./molecules/TraPPE/C20.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,720 copying ./molecules/TraPPE/C21.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,722 copying ./molecules/TraPPE/C22.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,725 copying ./molecules/TraPPE/C23.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,727 copying ./molecules/TraPPE/C24.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,729 copying ./molecules/TraPPE/C25.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,731 copying ./molecules/TraPPE/C26.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,734 copying ./molecules/TraPPE/C27.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,736 copying ./molecules/TraPPE/C28.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,738 copying ./molecules/TraPPE/C2H2.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,740 copying ./molecules/TraPPE/C3.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,742 copying ./molecules/TraPPE/C4.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,744 copying ./molecules/TraPPE/C5.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,746 copying ./molecules/TraPPE/C6.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,747 copying ./molecules/TraPPE/C7.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,749 copying ./molecules/TraPPE/C8.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,751 copying ./molecules/TraPPE/C9.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,753 copying ./molecules/TraPPE/CO2.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,755 copying ./molecules/TraPPE/Cl.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,757 copying ./molecules/TraPPE/H2.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,759 copying ./molecules/TraPPE/H2S.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,761 copying ./molecules/TraPPE/IonN.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,763 copying ./molecules/TraPPE/IonP.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,765 copying ./molecules/TraPPE/LJ1.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,766 copying ./molecules/TraPPE/LJ2.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,768 copying ./molecules/TraPPE/N2.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,770 copying ./molecules/TraPPE/Na.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,772 copying ./molecules/TraPPE/NaCl.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,774 copying ./molecules/TraPPE/O2.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,776 copying ./molecules/TraPPE/PH3.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,777 copying ./molecules/TraPPE/argon.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,779 copying ./molecules/TraPPE/benzene.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,781 copying ./molecules/TraPPE/butane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,783 copying ./molecules/TraPPE/calcium.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,785 copying ./molecules/TraPPE/chloride.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,786 copying ./molecules/TraPPE/chromene_R_flexible.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,789 copying ./molecules/TraPPE/decane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,791 copying ./molecules/TraPPE/dimethylpropane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,793 copying ./molecules/TraPPE/dodecane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,795 copying ./molecules/TraPPE/ethane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,797 copying ./molecules/TraPPE/ethanol.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,798 copying ./molecules/TraPPE/ethene.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,800 copying ./molecules/TraPPE/formaldehyde.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,803 copying ./molecules/TraPPE/helium.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,804 copying ./molecules/TraPPE/heptane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,806 copying ./molecules/TraPPE/hexadecane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,808 copying ./molecules/TraPPE/hexane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,810 copying ./molecules/TraPPE/hydrogen.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,812 copying ./molecules/TraPPE/isobutane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,814 copying ./molecules/TraPPE/isooctane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,815 copying ./molecules/TraPPE/kalium.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,817 copying ./molecules/TraPPE/krypton.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,819 copying ./molecules/TraPPE/methane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,821 copying ./molecules/TraPPE/methanol.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,823 copying ./molecules/TraPPE/neopentane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,825 copying ./molecules/TraPPE/nonane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,827 copying ./molecules/TraPPE/none.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,829 copying ./molecules/TraPPE/octane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,831 copying ./molecules/TraPPE/pentane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,834 copying ./molecules/TraPPE/propane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,835 copying ./molecules/TraPPE/propene.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,837 copying ./molecules/TraPPE/sodium.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,839 copying ./molecules/TraPPE/undecane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,841 copying ./molecules/TraPPE/water.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,843 copying ./molecules/TraPPE/xenon.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:18:24,845 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE-EH 2024-04-26T11:18:24,846 copying ./molecules/TraPPE-EH/methane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE-EH 2024-04-26T11:18:24,848 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE-UA 2024-04-26T11:18:24,849 copying ./molecules/TraPPE-UA/2-methylbutane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE-UA 2024-04-26T11:18:24,851 copying ./molecules/TraPPE-UA/2-methylpentane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE-UA 2024-04-26T11:18:24,853 copying ./molecules/TraPPE-UA/CO2.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE-UA 2024-04-26T11:18:24,855 copying ./molecules/TraPPE-UA/butane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE-UA 2024-04-26T11:18:24,857 copying ./molecules/TraPPE-UA/dimethylpropane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE-UA 2024-04-26T11:18:24,859 copying ./molecules/TraPPE-UA/ethane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE-UA 2024-04-26T11:18:24,861 copying ./molecules/TraPPE-UA/heptane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE-UA 2024-04-26T11:18:24,863 copying ./molecules/TraPPE-UA/isobutane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE-UA 2024-04-26T11:18:24,865 copying ./molecules/TraPPE-UA/methane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE-UA 2024-04-26T11:18:24,867 copying ./molecules/TraPPE-UA/pentane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE-UA 2024-04-26T11:18:24,869 copying ./molecules/TraPPE-UA/propane.def -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE-UA 2024-04-26T11:18:24,871 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:24,871 copying ./src/cbmc.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:24,878 copying ./src/cbmc.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:24,880 copying ./src/charge_equilibration.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:24,883 copying ./src/charge_equilibration.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:24,885 copying ./src/complex.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:24,887 copying ./src/complex.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:24,889 copying ./src/constants.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:24,892 copying ./src/constants.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:24,897 copying ./src/cubic_spline_1d.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:24,899 copying ./src/cubic_spline_1d.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:24,902 copying ./src/equations_of_state.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:24,904 copying ./src/equations_of_state.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:24,906 copying ./src/ewald.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:24,928 copying ./src/ewald.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:24,930 copying ./src/framework.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:24,944 copying ./src/framework.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:24,947 copying ./src/framework_born.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:24,952 copying ./src/framework_born.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:24,954 copying ./src/framework_energy.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:24,963 copying ./src/framework_energy.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:24,965 copying ./src/framework_force.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:24,974 copying ./src/framework_force.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:24,977 copying ./src/framework_hessian.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:24,986 copying ./src/framework_hessian.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:24,988 copying ./src/grids.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:24,992 copying ./src/grids.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:24,994 copying ./src/input.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,003 copying ./src/input.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,005 copying ./src/integrate.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,007 copying ./src/integrate.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,009 copying ./src/integration.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,013 copying ./src/integration.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,015 copying ./src/inter_born.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,018 copying ./src/inter_born.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,020 copying ./src/inter_energy.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,028 copying ./src/inter_energy.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,030 copying ./src/inter_force.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,035 copying ./src/inter_force.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,038 copying ./src/inter_hessian.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,046 copying ./src/inter_hessian.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,048 copying ./src/internal_born.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,056 copying ./src/internal_born.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,058 copying ./src/internal_energy.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,065 copying ./src/internal_energy.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,067 copying ./src/internal_force.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,075 copying ./src/internal_force.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,077 copying ./src/internal_hessian.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,091 copying ./src/internal_hessian.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,093 copying ./src/linear_equations.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,096 copying ./src/linear_equations.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,098 copying ./src/main.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,100 copying ./src/matrix.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,104 copying ./src/matrix.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,107 copying ./src/mc_moves.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,138 copying ./src/mc_moves.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,141 copying ./src/minimization.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,150 copying ./src/minimization.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,153 copying ./src/minimization_simulation.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,155 copying ./src/minimization_simulation.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,157 copying ./src/molecular_dynamics.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,160 copying ./src/molecular_dynamics.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,162 copying ./src/molecule.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,172 copying ./src/molecule.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,175 copying ./src/molecule_properties.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,177 copying ./src/molecule_properties.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,179 copying ./src/monte_carlo.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,184 copying ./src/monte_carlo.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,186 copying ./src/movies.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,190 copying ./src/movies.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,192 copying ./src/numerical.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,202 copying ./src/numerical.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,204 copying ./src/output.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,217 copying ./src/output.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,219 copying ./src/potentials.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,235 copying ./src/potentials.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,237 copying ./src/recrossing.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,240 copying ./src/recrossing.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,242 copying ./src/rigid.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,250 copying ./src/rigid.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,253 copying ./src/run.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,255 copying ./src/run.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,257 copying ./src/sample.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,270 copying ./src/sample.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,273 copying ./src/scattering_factors.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,277 copying ./src/scattering_factors.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,279 copying ./src/simulation.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,283 copying ./src/simulation.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,285 copying ./src/spacegroup.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,342 copying ./src/spacegroup.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,344 copying ./src/spectra.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,349 copying ./src/spectra.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,351 copying ./src/statistics.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,359 copying ./src/statistics.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,361 copying ./src/status.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,372 copying ./src/status.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,374 copying ./src/thermo_baro_stats.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,380 copying ./src/thermo_baro_stats.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,383 copying ./src/utils.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,387 copying ./src/utils.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,389 copying ./src/vector.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,391 copying ./src/vector.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,393 copying ./src/warnings.c -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,395 copying ./src/warnings.h -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src 2024-04-26T11:18:25,397 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures 2024-04-26T11:18:25,398 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block 2024-04-26T11:18:25,399 copying ./structures/block/ATS.block -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block 2024-04-26T11:18:25,401 copying ./structures/block/BOG_SI.block -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block 2024-04-26T11:18:25,403 copying ./structures/block/CHA_SI.block -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block 2024-04-26T11:18:25,405 copying ./structures/block/DDR.block -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block 2024-04-26T11:18:25,407 copying ./structures/block/DDR_ortho.block -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block 2024-04-26T11:18:25,409 copying ./structures/block/ERI_SI.block -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block 2024-04-26T11:18:25,411 copying ./structures/block/FAU.block -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block 2024-04-26T11:18:25,413 copying ./structures/block/FER.block -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block 2024-04-26T11:18:25,415 copying ./structures/block/GME.block -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block 2024-04-26T11:18:25,417 copying ./structures/block/ITQ-12.block -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block 2024-04-26T11:18:25,418 copying ./structures/block/ITQ-29.block -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block 2024-04-26T11:18:25,420 copying ./structures/block/ITQ-3.block -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block 2024-04-26T11:18:25,422 copying ./structures/block/LTA_SI.block -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block 2024-04-26T11:18:25,424 copying ./structures/block/LTL_SI.block -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block 2024-04-26T11:18:25,426 copying ./structures/block/MFI_Olson.block -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block 2024-04-26T11:18:25,428 copying ./structures/block/MFI_SI.block -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block 2024-04-26T11:18:25,430 copying ./structures/block/MFI_mono.block -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block 2024-04-26T11:18:25,432 copying ./structures/block/MOR_SI.block -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block 2024-04-26T11:18:25,434 copying ./structures/block/MTW.block -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block 2024-04-26T11:18:25,435 copying ./structures/block/TON.block -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block 2024-04-26T11:18:25,437 copying ./structures/block/test.block -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block 2024-04-26T11:18:25,439 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,440 copying ./structures/cif/AEL.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,443 copying ./structures/cif/AFI_SI.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,445 copying ./structures/cif/AFX_SI.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,446 copying ./structures/cif/ATS.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,449 copying ./structures/cif/AlPO-17.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,451 copying ./structures/cif/AlPO-5.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,453 copying ./structures/cif/BEA.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,455 copying ./structures/cif/BOG_SI.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,457 copying ./structures/cif/CAN-12.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,459 copying ./structures/cif/CFI.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,462 copying ./structures/cif/CHA_SI.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,464 copying ./structures/cif/CHA_SI_mono.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,466 copying ./structures/cif/COF-1.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,468 copying ./structures/cif/COF-102.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,470 copying ./structures/cif/COF-103.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,472 copying ./structures/cif/COF-105.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,474 copying ./structures/cif/COF-108.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,476 copying ./structures/cif/COF-202.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,478 copying ./structures/cif/COF-300.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,480 copying ./structures/cif/COF-5.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,482 copying ./structures/cif/CON.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,484 copying ./structures/cif/Cd3BTB2.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,486 copying ./structures/cif/Co(2,6-NDP).cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,488 copying ./structures/cif/Co-DOBDC.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,490 copying ./structures/cif/CoBDP-Dubbeldam.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,492 copying ./structures/cif/CoBDP.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,495 copying ./structures/cif/Cu-BTC.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,497 copying ./structures/cif/DDR.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,499 copying ./structures/cif/DON.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,501 copying ./structures/cif/EMT.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,503 copying ./structures/cif/ERI_SI.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,505 copying ./structures/cif/FAU_SI.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,507 copying ./structures/cif/FER.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,509 copying ./structures/cif/GME.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,511 copying ./structures/cif/IRMOF-1-Ar.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,513 copying ./structures/cif/IRMOF-1.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,516 copying ./structures/cif/IRMOF-10.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,518 copying ./structures/cif/IRMOF-11.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,526 copying ./structures/cif/IRMOF-12.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,530 copying ./structures/cif/IRMOF-13.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,533 copying ./structures/cif/IRMOF-14.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,536 copying ./structures/cif/IRMOF-15.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,539 copying ./structures/cif/IRMOF-16.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,543 copying ./structures/cif/IRMOF-2.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,546 copying ./structures/cif/IRMOF-3.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,550 copying ./structures/cif/IRMOF-4.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,554 copying ./structures/cif/IRMOF-5.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,558 copying ./structures/cif/IRMOF-6.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,562 copying ./structures/cif/IRMOF-7.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,566 copying ./structures/cif/IRMOF-8.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,569 copying ./structures/cif/IRMOF-9.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,573 copying ./structures/cif/ISV.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,576 copying ./structures/cif/ITQ-1.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,578 copying ./structures/cif/ITQ-12.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,581 copying ./structures/cif/ITQ-29.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,583 copying ./structures/cif/ITQ-3.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,585 copying ./structures/cif/ITQ-7.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,588 copying ./structures/cif/KFI.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,590 copying ./structures/cif/LAU.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,593 copying ./structures/cif/LEV.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,595 copying ./structures/cif/LTA4A.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,599 copying ./structures/cif/LTA5A.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,601 copying ./structures/cif/LTA_SI.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,604 copying ./structures/cif/LTL_SI.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,606 copying ./structures/cif/MAF-X8.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,610 copying ./structures/cif/MAZ.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,612 copying ./structures/cif/MEI.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,615 copying ./structures/cif/MEL.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,617 copying ./structures/cif/MFI_SI.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,620 copying ./structures/cif/MFI_SI_Olson.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,622 copying ./structures/cif/MFI_SI_mono.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,625 copying ./structures/cif/MFI_para.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,627 copying ./structures/cif/MFS.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,629 copying ./structures/cif/MIL-100-primitive.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,635 copying ./structures/cif/MIL-100.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,653 copying ./structures/cif/MIL-101-primitive.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,660 copying ./structures/cif/MIL-101.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,680 copying ./structures/cif/MIL-140A-DFT.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,682 copying ./structures/cif/MIL-140B-DFT.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,684 copying ./structures/cif/MIL-140C-DFT.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,686 copying ./structures/cif/MIL-140D-DFT.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,689 copying ./structures/cif/MIL-47.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,691 copying ./structures/cif/MIL-53(Cr)ht.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,693 copying ./structures/cif/MIL-53(Cr)lt.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,696 copying ./structures/cif/MIL-88A-dry.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,698 copying ./structures/cif/MIL-88A-open.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,700 copying ./structures/cif/MIL-88B-dry.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,702 copying ./structures/cif/MIL-88B-open.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,704 copying ./structures/cif/MIL-88C-dry.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,707 copying ./structures/cif/MIL-88C-open.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,709 copying ./structures/cif/MIL-88D-dry.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,711 copying ./structures/cif/MIL-88D-open.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,714 copying ./structures/cif/MOF-1-Dybtsev-dmol.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,716 copying ./structures/cif/MOF-177.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,719 copying ./structures/cif/MOF-177_ortho.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,723 copying ./structures/cif/MOF-200.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,728 copying ./structures/cif/MOF-205.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,731 copying ./structures/cif/MOF-210-primitive.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,734 copying ./structures/cif/MOF-210.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,737 copying ./structures/cif/MOF-69c.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,739 copying ./structures/cif/MOF-70.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,742 copying ./structures/cif/MOF-72.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,744 copying ./structures/cif/MOR_SI.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,746 copying ./structures/cif/MTW_SI.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,748 copying ./structures/cif/Mg-DOBDC.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,749 copying ./structures/cif/MgMOF-74-VASP.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,751 copying ./structures/cif/MgMOF-74-extended-VASP.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,753 copying ./structures/cif/MgMOF-74.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,755 copying ./structures/cif/NU-100SP-primitive.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,758 copying ./structures/cif/NU-100SP.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,764 copying ./structures/cif/NU-108-Cu-primitive.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,767 copying ./structures/cif/NU-108-Cu.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,770 copying ./structures/cif/NU-108-Zn.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,773 copying ./structures/cif/NaX.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,775 copying ./structures/cif/Ni-DOBDC.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,777 copying ./structures/cif/OFF.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,779 copying ./structures/cif/PAU.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,781 copying ./structures/cif/PCN-60.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,784 copying ./structures/cif/PCN-61.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,786 copying ./structures/cif/PCN-68-primitive.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,789 copying ./structures/cif/PCN-68.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,792 copying ./structures/cif/RHO.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,794 copying ./structures/cif/SAPO-47.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,796 copying ./structures/cif/SAPO-56.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,798 copying ./structures/cif/SFF.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,800 copying ./structures/cif/SOD.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,802 copying ./structures/cif/STF.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,804 copying ./structures/cif/SWNT-1-14.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,807 copying ./structures/cif/SWNT-1-23.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,813 copying ./structures/cif/SWNT-10-11.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,818 copying ./structures/cif/SWNT-10-13.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,822 copying ./structures/cif/SWNT-11-18.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,830 copying ./structures/cif/SWNT-3-11.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,834 copying ./structures/cif/SWNT-3-20.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,838 copying ./structures/cif/SWNT-3-9.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,841 copying ./structures/cif/SWNT-4-14.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,845 copying ./structures/cif/TON.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,847 copying ./structures/cif/UIO-66.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,850 copying ./structures/cif/UMCM-1.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,854 copying ./structures/cif/VFI.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,856 copying ./structures/cif/ZIF-1.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,858 copying ./structures/cif/ZIF-10.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,861 copying ./structures/cif/ZIF-11.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,865 copying ./structures/cif/ZIF-12.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,869 copying ./structures/cif/ZIF-2.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,871 copying ./structures/cif/ZIF-20.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,879 copying ./structures/cif/ZIF-3.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,881 copying ./structures/cif/ZIF-4.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,884 copying ./structures/cif/ZIF-5.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,886 copying ./structures/cif/ZIF-6.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,889 copying ./structures/cif/ZIF-68.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,890 copying ./structures/cif/ZIF-69-crystal.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,894 copying ./structures/cif/ZIF-69.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,897 copying ./structures/cif/ZIF-7.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,899 copying ./structures/cif/ZIF-71.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,901 copying ./structures/cif/ZIF-77.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,903 copying ./structures/cif/ZIF-8.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,906 copying ./structures/cif/ZIF-80.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,907 copying ./structures/cif/ZIF-9.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,909 copying ./structures/cif/ZIF-90.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,912 copying ./structures/cif/ZIF-93.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,914 copying ./structures/cif/ZIF-96.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,916 copying ./structures/cif/ZIF-97.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,918 copying ./structures/cif/Zn-DOBDC.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,920 copying ./structures/cif/ZnBDC.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,922 copying ./structures/cif/ZnBDCdabco.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,924 copying ./structures/cif/ZnHBDC.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,926 copying ./structures/cif/ZnMOF-74-VASP.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,928 copying ./structures/cif/ZnMOF-74.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,930 copying ./structures/cif/Zr-TPDC.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,933 copying ./structures/cif/alpha-quartz.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,935 copying ./structures/cif/coesite.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,937 copying ./structures/cif/graphite-sheet-10.25A.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,941 copying ./structures/cif/graphite-sheet-10.65A.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,945 copying ./structures/cif/graphite-sheet-11.0A.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,950 copying ./structures/cif/graphite-sheet-11.36A.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,953 copying ./structures/cif/graphite-sheet-12.0A.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,957 copying ./structures/cif/graphite-sheet-12.78A.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,961 copying ./structures/cif/graphite-sheet-13.25A.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,965 copying ./structures/cif/graphite-sheet-13.75A.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,970 copying ./structures/cif/graphite-sheet-14.2A.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,973 copying ./structures/cif/graphite-sheet-15.0A.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,977 copying ./structures/cif/graphite-sheet-15.62A.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,981 copying ./structures/cif/graphite-sheet-17.04A.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,987 copying ./structures/cif/graphite-sheet-18.46A.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,992 copying ./structures/cif/graphite-sheet-19.88A.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:25,998 copying ./structures/cif/graphite-sheet-8.52A.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:26,002 copying ./structures/cif/graphite-sheet-9.0A.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:26,006 copying ./structures/cif/graphite-sheet-9.5A.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:26,010 copying ./structures/cif/graphite-sheet-9.94A.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:26,013 copying ./structures/cif/graphite-square-channel-11.36A.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:26,019 copying ./structures/cif/graphite-square-channel-12.78A.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:26,026 copying ./structures/cif/graphite-square-channel-14.2A.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:26,033 copying ./structures/cif/graphite-square-channel-15.62A.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:26,041 copying ./structures/cif/graphite-square-channel-17.04A.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:26,049 copying ./structures/cif/graphite-square-channel-18.46A.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:26,056 copying ./structures/cif/graphite-square-channel-19.88A.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:26,064 copying ./structures/cif/graphite-square-channel-8.52A.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:26,068 copying ./structures/cif/graphite-square-channel-9.94A.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:26,073 copying ./structures/cif/graphite.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:26,075 copying ./structures/cif/graphite_ortho.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:26,077 copying ./structures/cif/quartz.cif -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif 2024-04-26T11:18:26,079 creating build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/ions 2024-04-26T11:18:26,080 copying ./structures/ions/IRMOF-1-Ar.ions -> build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/ions 2024-04-26T11:18:26,085 running build_ext 2024-04-26T11:18:26,572 building 'RASPA2.simulations.lib.libraspa2' extension 2024-04-26T11:18:26,574 creating build/temp.linux-armv7l-cpython-39 2024-04-26T11:18:26,574 creating build/temp.linux-armv7l-cpython-39/src 2024-04-26T11:18:26,577 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/cbmc.c -o build/temp.linux-armv7l-cpython-39/src/cbmc.o 2024-04-26T11:18:26,811 src/cbmc.c: In function ‘GrowReservoirMolecule’: 2024-04-26T11:18:26,813 src/cbmc.c:3184:7: warning: unused variable ‘StartingBead’ [-Wunused-variable] 2024-04-26T11:18:26,813 3184 | int StartingBead; 2024-04-26T11:18:26,813 | ^~~~~~~~~~~~ 2024-04-26T11:18:26,815 src/cbmc.c:3182:8: warning: unused variable ‘PreFactor’ [-Wunused-variable] 2024-04-26T11:18:26,815 3182 | REAL PreFactor; 2024-04-26T11:18:26,815 | ^~~~~~~~~ 2024-04-26T11:18:26,818 src/cbmc.c: In function ‘GrowReservoirMolecules’: 2024-04-26T11:18:26,820 src/cbmc.c:3285:7: warning: unused variable ‘StartingBead’ [-Wunused-variable] 2024-04-26T11:18:26,820 3285 | int StartingBead,mol_index; 2024-04-26T11:18:26,820 | ^~~~~~~~~~~~ 2024-04-26T11:18:26,821 src/cbmc.c:3283:8: warning: unused variable ‘PreFactor’ [-Wunused-variable] 2024-04-26T11:18:26,821 3283 | REAL PreFactor; 2024-04-26T11:18:26,822 | ^~~~~~~~~ 2024-04-26T11:18:26,824 src/cbmc.c: In function ‘GrowReservoirMolecules2’: 2024-04-26T11:18:26,826 src/cbmc.c:3395:7: warning: unused variable ‘StartingBead’ [-Wunused-variable] 2024-04-26T11:18:26,826 3395 | int StartingBead,mol_index; 2024-04-26T11:18:26,826 | ^~~~~~~~~~~~ 2024-04-26T11:18:26,828 src/cbmc.c:3393:8: warning: unused variable ‘PreFactor’ [-Wunused-variable] 2024-04-26T11:18:26,828 3393 | REAL PreFactor; 2024-04-26T11:18:26,828 | ^~~~~~~~~ 2024-04-26T11:18:26,952 At top level: 2024-04-26T11:18:26,953 src/cbmc.c:326:13: warning: ‘EnergyCationPermanentDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2024-04-26T11:18:26,953 326 | static REAL EnergyCationPermanentDipolePermanentDipoleFirstBead; 2024-04-26T11:18:26,953 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:18:26,953 src/cbmc.c:325:13: warning: ‘EnergyAdsorbatePermanentDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2024-04-26T11:18:26,953 325 | static REAL EnergyAdsorbatePermanentDipolePermanentDipoleFirstBead; 2024-04-26T11:18:26,953 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:18:26,953 src/cbmc.c:324:13: warning: ‘EnergyHostPermanentDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2024-04-26T11:18:26,954 324 | static REAL EnergyHostPermanentDipolePermanentDipoleFirstBead; 2024-04-26T11:18:26,954 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:18:26,954 src/cbmc.c:323:13: warning: ‘EnergyCationBondDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2024-04-26T11:18:26,954 323 | static REAL EnergyCationBondDipolePermanentDipoleFirstBead; 2024-04-26T11:18:26,954 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:18:26,955 src/cbmc.c:322:13: warning: ‘EnergyAdsorbateBondDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2024-04-26T11:18:26,955 322 | static REAL EnergyAdsorbateBondDipolePermanentDipoleFirstBead; 2024-04-26T11:18:26,955 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:18:26,955 src/cbmc.c:321:13: warning: ‘EnergyHostBondDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2024-04-26T11:18:26,955 321 | static REAL EnergyHostBondDipolePermanentDipoleFirstBead; 2024-04-26T11:18:26,956 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:18:26,956 src/cbmc.c:317:13: warning: ‘EnergyCationChargePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2024-04-26T11:18:26,956 317 | static REAL EnergyCationChargePermanentDipoleFirstBead; 2024-04-26T11:18:26,956 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:18:26,956 src/cbmc.c:316:13: warning: ‘EnergyAdsorbateChargePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2024-04-26T11:18:26,956 316 | static REAL EnergyAdsorbateChargePermanentDipoleFirstBead; 2024-04-26T11:18:26,956 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:18:26,957 src/cbmc.c:315:13: warning: ‘EnergyHostChargePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2024-04-26T11:18:26,957 315 | static REAL EnergyHostChargePermanentDipoleFirstBead; 2024-04-26T11:18:26,957 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:18:26,957 src/cbmc.c:187:13: warning: ‘IntraPermanentDipoles’ defined but not used [-Wunused-variable] 2024-04-26T11:18:26,957 187 | static int *IntraPermanentDipoles; 2024-04-26T11:18:26,957 | ^~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:18:26,957 src/cbmc.c:186:12: warning: ‘NumberOfIntraPermanentDipoles’ defined but not used [-Wunused-variable] 2024-04-26T11:18:26,957 186 | static int NumberOfIntraPermanentDipoles; 2024-04-26T11:18:26,958 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:18:34,505 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/charge_equilibration.c -o build/temp.linux-armv7l-cpython-39/src/charge_equilibration.o 2024-04-26T11:18:34,668 src/charge_equilibration.c: In function ‘SolveMatrix’: 2024-04-26T11:18:34,668 src/charge_equilibration.c:634:8: warning: variable ‘aii’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:34,668 634 | REAL aii,alpha,f,ak; 2024-04-26T11:18:34,669 | ^~~ 2024-04-26T11:18:35,747 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/complex.c -o build/temp.linux-armv7l-cpython-39/src/complex.o 2024-04-26T11:18:36,001 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/constants.c -o build/temp.linux-armv7l-cpython-39/src/constants.o 2024-04-26T11:18:36,335 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/cubic_spline_1d.c -o build/temp.linux-armv7l-cpython-39/src/cubic_spline_1d.o 2024-04-26T11:18:36,454 src/cubic_spline_1d.c: In function ‘Trapezoidal’: 2024-04-26T11:18:36,455 src/cubic_spline_1d.c:157:18: warning: variable ‘tmp3’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:36,455 157 | REAL tmp1,tmp2,tmp3; 2024-04-26T11:18:36,455 | ^~~~ 2024-04-26T11:18:36,455 src/cubic_spline_1d.c:157:13: warning: variable ‘tmp2’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:36,455 157 | REAL tmp1,tmp2,tmp3; 2024-04-26T11:18:36,455 | ^~~~ 2024-04-26T11:18:36,457 src/cubic_spline_1d.c: In function ‘TrapezoidalWeight’: 2024-04-26T11:18:36,457 src/cubic_spline_1d.c:236:18: warning: variable ‘tmp3’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:36,457 236 | REAL tmp1,tmp2,tmp3; 2024-04-26T11:18:36,457 | ^~~~ 2024-04-26T11:18:36,457 src/cubic_spline_1d.c:236:13: warning: variable ‘tmp2’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:36,457 236 | REAL tmp1,tmp2,tmp3; 2024-04-26T11:18:36,458 | ^~~~ 2024-04-26T11:18:36,458 src/cubic_spline_1d.c:235:15: warning: variable ‘valueb’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:36,458 235 | REAL valuea,valueb; 2024-04-26T11:18:36,458 | ^~~~~~ 2024-04-26T11:18:36,458 src/cubic_spline_1d.c:235:8: warning: variable ‘valuea’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:36,458 235 | REAL valuea,valueb; 2024-04-26T11:18:36,458 | ^~~~~~ 2024-04-26T11:18:36,478 src/cubic_spline_1d.c: In function ‘CreateCubicFittingSpline’: 2024-04-26T11:18:36,478 src/cubic_spline_1d.c:891:7: warning: variable ‘error’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:36,479 891 | int error=7,i; 2024-04-26T11:18:36,479 | ^~~~~ 2024-04-26T11:18:38,100 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/equations_of_state.c -o build/temp.linux-armv7l-cpython-39/src/equations_of_state.o 2024-04-26T11:18:39,165 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/ewald.c -o build/temp.linux-armv7l-cpython-39/src/ewald.o 2024-04-26T11:18:39,336 src/ewald.c: In function ‘EwaldEnergyIon’: 2024-04-26T11:18:39,336 src/ewald.c:617:11: warning: variable ‘kvecs’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:39,336 617 | VECTOR *kvecs; 2024-04-26T11:18:39,337 | ^~~~~ 2024-04-26T11:18:39,351 src/ewald.c: In function ‘PrecomputeFixedEwaldContributions’: 2024-04-26T11:18:39,351 src/ewald.c:746:29: warning: variable ‘nr_of_coulombic_sites_framework’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:39,351 746 | int nr_of_coulombic_sites,nr_of_coulombic_sites_framework,nr_of_coulombic_sites_adsorbate,nr_of_coulombic_sites_cation; 2024-04-26T11:18:39,351 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:18:39,351 src/ewald.c:741:13: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:39,351 741 | REAL temp,alpha,charge; 2024-04-26T11:18:39,352 | ^~~~~ 2024-04-26T11:18:39,364 src/ewald.c: In function ‘PrecomputeTotalEwaldContributions’: 2024-04-26T11:18:39,365 src/ewald.c:1286:13: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:39,365 1286 | REAL temp,alpha,ksqr,recip_cutoff,charge; 2024-04-26T11:18:39,365 | ^~~~~ 2024-04-26T11:18:39,394 src/ewald.c: In function ‘EwaldFourierEnergy’: 2024-04-26T11:18:39,395 src/ewald.c:1780:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:39,395 1780 | REAL Bt0,Bt1,Bt2,cosA,cosB,cosAB,scaling,scalingA,scalingB; 2024-04-26T11:18:39,395 | ^~~ 2024-04-26T11:18:39,396 src/ewald.c:1758:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:39,396 1758 | int nvec,type_mol,type,typeA,typeB; 2024-04-26T11:18:39,396 | ^~~~~ 2024-04-26T11:18:39,396 src/ewald.c:1758:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:39,397 1758 | int nvec,type_mol,type,typeA,typeB; 2024-04-26T11:18:39,397 | ^~~~~ 2024-04-26T11:18:39,450 src/ewald.c: In function ‘EwaldFourierForce’: 2024-04-26T11:18:39,452 src/ewald.c:2813:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:39,452 2813 | int nvec,type_mol,type,typeA,typeB; 2024-04-26T11:18:39,452 | ^~~~~ 2024-04-26T11:18:39,453 src/ewald.c:2813:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:39,453 2813 | int nvec,type_mol,type,typeA,typeB; 2024-04-26T11:18:39,454 | ^~~~~ 2024-04-26T11:18:39,520 src/ewald.c: In function ‘EwaldFourierBornTerm’: 2024-04-26T11:18:39,523 src/ewald.c:4752:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:39,523 4752 | int nvec,type_mol,type,typeA,typeB; 2024-04-26T11:18:39,523 | ^~~~~ 2024-04-26T11:18:39,526 src/ewald.c:4752:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:39,526 4752 | int nvec,type_mol,type,typeA,typeB; 2024-04-26T11:18:39,526 | ^~~~~ 2024-04-26T11:18:39,555 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbate’: 2024-04-26T11:18:39,559 src/ewald.c:6853:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:39,560 6853 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2024-04-26T11:18:39,560 | ^~~ 2024-04-26T11:18:39,591 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbateRXMC’: 2024-04-26T11:18:39,596 src/ewald.c:7588:7: warning: unused variable ‘typeA’ [-Wunused-variable] 2024-04-26T11:18:39,596 7588 | int typeA; 2024-04-26T11:18:39,596 | ^~~~~ 2024-04-26T11:18:39,600 src/ewald.c:7582:7: warning: variable ‘considered_charged’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:39,600 7582 | int considered_charged; 2024-04-26T11:18:39,601 | ^~~~~~~~~~~~~~~~~~ 2024-04-26T11:18:39,605 src/ewald.c:7581:9: warning: unused variable ‘atom_pointer’ [-Wunused-variable] 2024-04-26T11:18:39,605 7581 | ATOM *atom_pointer; 2024-04-26T11:18:39,605 | ^~~~~~~~~~~~ 2024-04-26T11:18:39,610 src/ewald.c:7580:8: warning: unused variable ‘pair’ [-Wunused-variable] 2024-04-26T11:18:39,610 7580 | PAIR pair; 2024-04-26T11:18:39,610 | ^~~~ 2024-04-26T11:18:39,614 src/ewald.c:7577:28: warning: unused variable ‘posB2’ [-Wunused-variable] 2024-04-26T11:18:39,614 7577 | VECTOR posA1,posA2,posB1,posB2; 2024-04-26T11:18:39,615 | ^~~~~ 2024-04-26T11:18:39,619 src/ewald.c:7577:22: warning: unused variable ‘posB1’ [-Wunused-variable] 2024-04-26T11:18:39,619 7577 | VECTOR posA1,posA2,posB1,posB2; 2024-04-26T11:18:39,619 | ^~~~~ 2024-04-26T11:18:39,624 src/ewald.c:7577:16: warning: unused variable ‘posA2’ [-Wunused-variable] 2024-04-26T11:18:39,624 7577 | VECTOR posA1,posA2,posB1,posB2; 2024-04-26T11:18:39,624 | ^~~~~ 2024-04-26T11:18:39,628 src/ewald.c:7577:10: warning: unused variable ‘posA1’ [-Wunused-variable] 2024-04-26T11:18:39,628 7577 | VECTOR posA1,posA2,posB1,posB2; 2024-04-26T11:18:39,629 | ^~~~~ 2024-04-26T11:18:39,633 src/ewald.c:7576:25: warning: unused variable ‘dipoleB’ [-Wunused-variable] 2024-04-26T11:18:39,633 7576 | VECTOR dipole,dipoleA,dipoleB,rk; 2024-04-26T11:18:39,633 | ^~~~~~~ 2024-04-26T11:18:39,638 src/ewald.c:7576:17: warning: unused variable ‘dipoleA’ [-Wunused-variable] 2024-04-26T11:18:39,638 7576 | VECTOR dipole,dipoleA,dipoleB,rk; 2024-04-26T11:18:39,638 | ^~~~~~~ 2024-04-26T11:18:39,642 src/ewald.c:7568:32: warning: unused variable ‘Bt2’ [-Wunused-variable] 2024-04-26T11:18:39,642 7568 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2024-04-26T11:18:39,642 | ^~~ 2024-04-26T11:18:39,647 src/ewald.c:7568:28: warning: unused variable ‘Bt1’ [-Wunused-variable] 2024-04-26T11:18:39,647 7568 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2024-04-26T11:18:39,647 | ^~~ 2024-04-26T11:18:39,651 src/ewald.c:7568:18: warning: unused variable ‘cosAB’ [-Wunused-variable] 2024-04-26T11:18:39,652 7568 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2024-04-26T11:18:39,652 | ^~~~~ 2024-04-26T11:18:39,656 src/ewald.c:7568:13: warning: unused variable ‘cosB’ [-Wunused-variable] 2024-04-26T11:18:39,656 7568 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2024-04-26T11:18:39,656 | ^~~~ 2024-04-26T11:18:39,661 src/ewald.c:7568:8: warning: unused variable ‘cosA’ [-Wunused-variable] 2024-04-26T11:18:39,661 7568 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2024-04-26T11:18:39,661 | ^~~~ 2024-04-26T11:18:39,665 src/ewald.c:7567:25: warning: unused variable ‘scalingB’ [-Wunused-variable] 2024-04-26T11:18:39,666 7567 | REAL scaling,scalingA,scalingB; 2024-04-26T11:18:39,666 | ^~~~~~~~ 2024-04-26T11:18:39,670 src/ewald.c:7567:16: warning: unused variable ‘scalingA’ [-Wunused-variable] 2024-04-26T11:18:39,670 7567 | REAL scaling,scalingA,scalingB; 2024-04-26T11:18:39,670 | ^~~~~~~~ 2024-04-26T11:18:39,675 src/ewald.c:7567:8: warning: unused variable ‘scaling’ [-Wunused-variable] 2024-04-26T11:18:39,675 7567 | REAL scaling,scalingA,scalingB; 2024-04-26T11:18:39,675 | ^~~~~~~ 2024-04-26T11:18:39,679 src/ewald.c:7564:39: warning: unused variable ‘rr’ [-Wunused-variable] 2024-04-26T11:18:39,679 7564 | REAL alpha,chargeA,chargeB,charge,r,rr; 2024-04-26T11:18:39,680 | ^~ 2024-04-26T11:18:39,684 src/ewald.c:7564:30: warning: unused variable ‘charge’ [-Wunused-variable] 2024-04-26T11:18:39,684 7564 | REAL alpha,chargeA,chargeB,charge,r,rr; 2024-04-26T11:18:39,684 | ^~~~~~ 2024-04-26T11:18:39,689 src/ewald.c:7562:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:39,689 7562 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2024-04-26T11:18:39,689 | ^~~ 2024-04-26T11:18:39,693 src/ewald.c:7557:30: warning: unused variable ‘nr_of_bonddipoles’ [-Wunused-variable] 2024-04-26T11:18:39,693 7557 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2024-04-26T11:18:39,693 | ^~~~~~~~~~~~~~~~~ 2024-04-26T11:18:39,698 src/ewald.c:7557:16: warning: unused variable ‘nr_atoms’ [-Wunused-variable] 2024-04-26T11:18:39,698 7557 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2024-04-26T11:18:39,698 | ^~~~~~~~ 2024-04-26T11:18:39,702 src/ewald.c:7557:7: warning: unused variable ‘type_mol’ [-Wunused-variable] 2024-04-26T11:18:39,703 7557 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2024-04-26T11:18:39,703 | ^~~~~~~~ 2024-04-26T11:18:39,731 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbateRXMC2’: 2024-04-26T11:18:39,736 src/ewald.c:9160:8: warning: unused variable ‘scalingB_old’ [-Wunused-variable] 2024-04-26T11:18:39,736 9160 | REAL scalingB_old; 2024-04-26T11:18:39,736 | ^~~~~~~~~~~~ 2024-04-26T11:18:39,741 src/ewald.c:8464:20: warning: unused variable ‘chargeA_old’ [-Wunused-variable] 2024-04-26T11:18:39,742 8464 | REAL chargeA_new,chargeA_old; 2024-04-26T11:18:39,742 | ^~~~~~~~~~~ 2024-04-26T11:18:39,747 src/ewald.c:8463:21: warning: unused variable ‘scalingA_old’ [-Wunused-variable] 2024-04-26T11:18:39,747 8463 | REAL scalingA_new,scalingA_old; 2024-04-26T11:18:39,747 | ^~~~~~~~~~~~ 2024-04-26T11:18:39,752 src/ewald.c:8462:7: warning: unused variable ‘typeA’ [-Wunused-variable] 2024-04-26T11:18:39,752 8462 | int typeA; 2024-04-26T11:18:39,752 | ^~~~~ 2024-04-26T11:18:39,757 src/ewald.c:8460:7: warning: variable ‘RXMCMoleculeNumbers’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:39,757 8460 | int RXMCMoleculeNumbers[256]; 2024-04-26T11:18:39,757 | ^~~~~~~~~~~~~~~~~~~ 2024-04-26T11:18:39,762 src/ewald.c:8456:7: warning: unused variable ‘considered_charged’ [-Wunused-variable] 2024-04-26T11:18:39,762 8456 | int considered_charged; 2024-04-26T11:18:39,763 | ^~~~~~~~~~~~~~~~~~ 2024-04-26T11:18:39,767 src/ewald.c:8455:9: warning: unused variable ‘atom_pointer’ [-Wunused-variable] 2024-04-26T11:18:39,768 8455 | ATOM *atom_pointer; 2024-04-26T11:18:39,768 | ^~~~~~~~~~~~ 2024-04-26T11:18:39,773 src/ewald.c:8454:8: warning: unused variable ‘pair’ [-Wunused-variable] 2024-04-26T11:18:39,773 8454 | PAIR pair; 2024-04-26T11:18:39,773 | ^~~~ 2024-04-26T11:18:39,778 src/ewald.c:8451:28: warning: unused variable ‘posB2’ [-Wunused-variable] 2024-04-26T11:18:39,778 8451 | VECTOR posA1,posA2,posB1,posB2; 2024-04-26T11:18:39,778 | ^~~~~ 2024-04-26T11:18:39,783 src/ewald.c:8451:22: warning: unused variable ‘posB1’ [-Wunused-variable] 2024-04-26T11:18:39,783 8451 | VECTOR posA1,posA2,posB1,posB2; 2024-04-26T11:18:39,783 | ^~~~~ 2024-04-26T11:18:39,788 src/ewald.c:8451:16: warning: unused variable ‘posA2’ [-Wunused-variable] 2024-04-26T11:18:39,788 8451 | VECTOR posA1,posA2,posB1,posB2; 2024-04-26T11:18:39,788 | ^~~~~ 2024-04-26T11:18:39,793 src/ewald.c:8451:10: warning: unused variable ‘posA1’ [-Wunused-variable] 2024-04-26T11:18:39,794 8451 | VECTOR posA1,posA2,posB1,posB2; 2024-04-26T11:18:39,794 | ^~~~~ 2024-04-26T11:18:39,799 src/ewald.c:8450:25: warning: unused variable ‘dipoleB’ [-Wunused-variable] 2024-04-26T11:18:39,799 8450 | VECTOR dipole,dipoleA,dipoleB,rk; 2024-04-26T11:18:39,799 | ^~~~~~~ 2024-04-26T11:18:39,804 src/ewald.c:8450:17: warning: unused variable ‘dipoleA’ [-Wunused-variable] 2024-04-26T11:18:39,804 8450 | VECTOR dipole,dipoleA,dipoleB,rk; 2024-04-26T11:18:39,804 | ^~~~~~~ 2024-04-26T11:18:39,809 src/ewald.c:8442:32: warning: unused variable ‘Bt2’ [-Wunused-variable] 2024-04-26T11:18:39,809 8442 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2024-04-26T11:18:39,809 | ^~~ 2024-04-26T11:18:39,814 src/ewald.c:8442:28: warning: unused variable ‘Bt1’ [-Wunused-variable] 2024-04-26T11:18:39,814 8442 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2024-04-26T11:18:39,814 | ^~~ 2024-04-26T11:18:39,819 src/ewald.c:8442:18: warning: unused variable ‘cosAB’ [-Wunused-variable] 2024-04-26T11:18:39,820 8442 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2024-04-26T11:18:39,820 | ^~~~~ 2024-04-26T11:18:39,825 src/ewald.c:8442:13: warning: unused variable ‘cosB’ [-Wunused-variable] 2024-04-26T11:18:39,825 8442 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2024-04-26T11:18:39,825 | ^~~~ 2024-04-26T11:18:39,830 src/ewald.c:8442:8: warning: unused variable ‘cosA’ [-Wunused-variable] 2024-04-26T11:18:39,830 8442 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2024-04-26T11:18:39,830 | ^~~~ 2024-04-26T11:18:39,835 src/ewald.c:8441:25: warning: unused variable ‘scalingB’ [-Wunused-variable] 2024-04-26T11:18:39,835 8441 | REAL scaling,scalingA,scalingB; 2024-04-26T11:18:39,835 | ^~~~~~~~ 2024-04-26T11:18:39,840 src/ewald.c:8441:16: warning: unused variable ‘scalingA’ [-Wunused-variable] 2024-04-26T11:18:39,840 8441 | REAL scaling,scalingA,scalingB; 2024-04-26T11:18:39,840 | ^~~~~~~~ 2024-04-26T11:18:39,845 src/ewald.c:8441:8: warning: unused variable ‘scaling’ [-Wunused-variable] 2024-04-26T11:18:39,845 8441 | REAL scaling,scalingA,scalingB; 2024-04-26T11:18:39,846 | ^~~~~~~ 2024-04-26T11:18:39,850 src/ewald.c:8438:39: warning: unused variable ‘rr’ [-Wunused-variable] 2024-04-26T11:18:39,851 8438 | REAL alpha,chargeA,chargeB,charge,r,rr; 2024-04-26T11:18:39,851 | ^~ 2024-04-26T11:18:39,856 src/ewald.c:8438:30: warning: unused variable ‘charge’ [-Wunused-variable] 2024-04-26T11:18:39,856 8438 | REAL alpha,chargeA,chargeB,charge,r,rr; 2024-04-26T11:18:39,856 | ^~~~~~ 2024-04-26T11:18:39,861 src/ewald.c:8436:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:39,861 8436 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2024-04-26T11:18:39,861 | ^~~ 2024-04-26T11:18:39,866 src/ewald.c:8431:30: warning: unused variable ‘nr_of_bonddipoles’ [-Wunused-variable] 2024-04-26T11:18:39,866 8431 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2024-04-26T11:18:39,866 | ^~~~~~~~~~~~~~~~~ 2024-04-26T11:18:39,871 src/ewald.c:8431:16: warning: unused variable ‘nr_atoms’ [-Wunused-variable] 2024-04-26T11:18:39,871 8431 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2024-04-26T11:18:39,872 | ^~~~~~~~ 2024-04-26T11:18:39,876 src/ewald.c:8431:7: warning: unused variable ‘type_mol’ [-Wunused-variable] 2024-04-26T11:18:39,877 8431 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2024-04-26T11:18:39,877 | ^~~~~~~~ 2024-04-26T11:18:39,910 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbateCF’: 2024-04-26T11:18:39,916 src/ewald.c:9231:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:39,916 9231 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2024-04-26T11:18:39,916 | ^~~ 2024-04-26T11:18:39,951 src/ewald.c: In function ‘CalculateEwaldFourierCation’: 2024-04-26T11:18:39,957 src/ewald.c:9940:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:39,958 9940 | REAL fac,energy_charge_cations,energy_charge_adsorbates_cations,energy_charge_framework_cations; 2024-04-26T11:18:39,958 | ^~~ 2024-04-26T11:18:40,000 src/ewald.c: In function ‘CalculateEwaldFourierCationCF’: 2024-04-26T11:18:40,006 src/ewald.c:10649:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:40,007 10649 | REAL fac,energy_charge_cations,energy_charge_adsorbates_cations,energy_charge_framework_cations; 2024-04-26T11:18:40,007 | ^~~ 2024-04-26T11:18:40,035 src/ewald.c: In function ‘CalculateEwaldFourierFrameworkDisplacement’: 2024-04-26T11:18:40,042 src/ewald.c:11490:8: warning: variable ‘NetChargeNew’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:40,042 11490 | REAL NetChargeNew,NetChargeOld; 2024-04-26T11:18:40,042 | ^~~~~~~~~~~~ 2024-04-26T11:18:40,075 src/ewald.c: In function ‘CalculateEwaldFourierFrameworkAtomTranslate’: 2024-04-26T11:18:40,083 src/ewald.c:11973:13: warning: variable ‘TypeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:40,083 11973 | int B1,B2,TypeA; 2024-04-26T11:18:40,083 | ^~~~~ 2024-04-26T11:18:40,090 src/ewald.c:11964:13: warning: variable ‘index’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:40,090 11964 | int A1,A2,index,A,B; 2024-04-26T11:18:40,090 | ^~~~~ 2024-04-26T11:18:40,098 src/ewald.c:11960:8: warning: variable ‘NetChargeNew’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:40,098 11960 | REAL NetChargeNew,NetChargeOld; 2024-04-26T11:18:40,098 | ^~~~~~~~~~~~ 2024-04-26T11:18:40,105 src/ewald.c:11956:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:40,105 11956 | REAL fac; 2024-04-26T11:18:40,105 | ^~~ 2024-04-26T11:18:40,112 src/ewald.c:11955:7: warning: variable ‘Type’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:40,113 11955 | int Type; 2024-04-26T11:18:40,113 | ^~~~ 2024-04-26T11:18:40,122 src/ewald.c: In function ‘EwaldFourierElectrostaticPotentialAdsorbate’: 2024-04-26T11:18:40,130 src/ewald.c:12623:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:40,130 12623 | int typeA,typeB,type; 2024-04-26T11:18:40,130 | ^~~~~ 2024-04-26T11:18:40,138 src/ewald.c:12623:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:40,138 12623 | int typeA,typeB,type; 2024-04-26T11:18:40,139 | ^~~~~ 2024-04-26T11:18:40,146 src/ewald.c:12620:11: warning: variable ‘kvecs’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:40,146 12620 | VECTOR *kvecs; 2024-04-26T11:18:40,147 | ^~~~~ 2024-04-26T11:18:40,156 src/ewald.c: In function ‘EwaldFourierElectrostaticPotentialCation’: 2024-04-26T11:18:40,164 src/ewald.c:12789:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:40,165 12789 | int typeA,typeB,type; 2024-04-26T11:18:40,165 | ^~~~~ 2024-04-26T11:18:40,174 src/ewald.c:12789:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:40,174 12789 | int typeA,typeB,type; 2024-04-26T11:18:40,174 | ^~~~~ 2024-04-26T11:18:40,182 src/ewald.c:12786:11: warning: variable ‘kvecs’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:40,182 12786 | VECTOR *kvecs; 2024-04-26T11:18:40,182 | ^~~~~ 2024-04-26T11:18:40,223 src/ewald.c: In function ‘EwaldFourierStaticElectricField’: 2024-04-26T11:18:40,231 src/ewald.c:12959:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:40,231 12959 | int nvec,type_mol,type,typeA,typeB; 2024-04-26T11:18:40,231 | ^~~~~ 2024-04-26T11:18:40,239 src/ewald.c:12959:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:40,239 12959 | int nvec,type_mol,type,typeA,typeB; 2024-04-26T11:18:40,240 | ^~~~~ 2024-04-26T11:18:40,286 src/ewald.c: In function ‘ComputeStaticElectricFieldEwald’: 2024-04-26T11:18:40,294 src/ewald.c:13673:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:40,294 13673 | int nvec,type_mol,type,typeA,typeB; 2024-04-26T11:18:40,294 | ^~~~~ 2024-04-26T11:18:40,303 src/ewald.c:13673:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:40,303 13673 | int nvec,type_mol,type,typeA,typeB; 2024-04-26T11:18:40,303 | ^~~~~ 2024-04-26T11:18:40,327 src/ewald.c: In function ‘ComputeElectricFieldFromInducedDipolesEwald’: 2024-04-26T11:18:40,336 src/ewald.c:15149:8: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:40,337 15149 | REAL alpha,fac,temp,fac_self,factor,charge; 2024-04-26T11:18:40,337 | ^~~~~ 2024-04-26T11:18:40,362 src/ewald.c: In function ‘ComputeElectricFieldFromInducedDipolesEwaldMC’: 2024-04-26T11:18:40,372 src/ewald.c:15491:8: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:40,372 15491 | REAL alpha,fac,temp,fac_self,factor,charge; 2024-04-26T11:18:40,372 | ^~~~~ 2024-04-26T11:18:44,396 src/ewald.c: In function ‘CalculateEwaldFourierDerivatives’: 2024-04-26T11:18:44,408 src/ewald.c:18725:17: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:44,408 18725 | REAL *kfactor,alpha,temp; 2024-04-26T11:18:44,408 | ^~~~~ 2024-04-26T11:18:44,419 src/ewald.c:18710:8: warning: variable ‘Usum_framework’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:44,420 18710 | REAL Usum_framework; 2024-04-26T11:18:44,420 | ^~~~~~~~~~~~~~ 2024-04-26T11:18:44,431 src/ewald.c:18708:17: warning: variable ‘CksumFramework’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:44,432 18708 | COMPLEX Cksum,CksumFramework; 2024-04-26T11:18:44,432 | ^~~~~~~~~~~~~~ 2024-04-26T11:18:44,443 src/ewald.c:18695:17: warning: variable ‘energy_term’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:44,443 18695 | REAL exp_term,energy_term; 2024-04-26T11:18:44,444 | ^~~~~~~~~~~ 2024-04-26T11:18:44,455 src/ewald.c:18694:13: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:44,455 18694 | REAL Rksq,fac; 2024-04-26T11:18:44,455 | ^~~ 2024-04-26T11:18:44,467 src/ewald.c:18693:18: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:44,467 18693 | int type,typeA,typeB,Type; 2024-04-26T11:18:44,467 | ^~~~~ 2024-04-26T11:18:44,479 src/ewald.c:18693:12: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:18:44,479 18693 | int type,typeA,typeB,Type; 2024-04-26T11:18:44,479 | ^~~~~ 2024-04-26T11:19:50,819 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/framework.c -o build/temp.linux-armv7l-cpython-39/src/framework.o 2024-04-26T11:19:51,014 src/framework.c: In function ‘MakeFrameworkCellList’: 2024-04-26T11:19:51,014 src/framework.c:145:18: warning: variable ‘M’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:19:51,014 145 | int i,f1,icell,M; 2024-04-26T11:19:51,014 | ^ 2024-04-26T11:19:51,063 src/framework.c: In function ‘ReadFrameworkDefinitionCIF’: 2024-04-26T11:19:51,064 src/framework.c:350:7: warning: variable ‘NumberOfAtomTypeElementsInBlock’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:19:51,064 350 | int NumberOfAtomTypeElementsInBlock; 2024-04-26T11:19:51,064 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:19:51,170 src/framework.c: In function ‘WriteFrameworkDefinitionCIF’: 2024-04-26T11:19:51,171 src/framework.c:2057:12: warning: variable ‘C’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:19:51,171 2057 | REAL A,B,C; 2024-04-26T11:19:51,171 | ^ 2024-04-26T11:19:51,173 src/framework.c:2057:10: warning: variable ‘B’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:19:51,173 2057 | REAL A,B,C; 2024-04-26T11:19:51,173 | ^ 2024-04-26T11:19:51,174 src/framework.c:2057:8: warning: variable ‘A’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:19:51,175 2057 | REAL A,B,C; 2024-04-26T11:19:51,175 | ^ 2024-04-26T11:19:51,194 src/framework.c: In function ‘ReadFrameworkDefinitionCSSR’: 2024-04-26T11:19:51,196 src/framework.c:3254:14: warning: variable ‘index’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:19:51,196 3254 | int i,temp,index; 2024-04-26T11:19:51,196 | ^~~~~ 2024-04-26T11:19:51,207 src/framework.c: In function ‘WriteFrameworkDefinitionPDB’: 2024-04-26T11:19:51,209 src/framework.c:3558:9: warning: variable ‘Type’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:19:51,209 3558 | int j,Type; 2024-04-26T11:19:51,209 | ^~~~ 2024-04-26T11:19:51,219 src/framework.c: In function ‘WriteFrameworkDefinitionGulp’: 2024-04-26T11:19:51,222 src/framework.c:3648:8: warning: variable ‘SerialNumber’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:19:51,222 3648 | int SerialNumber; // Atom serial number 2024-04-26T11:19:51,222 | ^~~~~~~~~~~~ 2024-04-26T11:19:51,283 src/framework.c: In function ‘ReadIonSitingDefinition’: 2024-04-26T11:19:51,286 src/framework.c:4843:14: warning: variable ‘index’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:19:51,286 4843 | int i,temp,index; 2024-04-26T11:19:51,286 | ^~~~~ 2024-04-26T11:19:51,297 src/framework.c: In function ‘ReturnNumberOfAsymmetricAtoms’: 2024-04-26T11:19:51,300 src/framework.c:5049:16: warning: variable ‘t’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:19:51,301 5049 | VECTOR pos,s,t; 2024-04-26T11:19:51,301 | ^ 2024-04-26T11:19:51,390 src/framework.c: In function ‘AddTorsionTypeToDefinitions’: 2024-04-26T11:19:51,394 src/framework.c:6742:7: warning: unused variable ‘CompareParameters’ [-Wunused-variable] 2024-04-26T11:19:51,394 6742 | int CompareParameters; 2024-04-26T11:19:51,394 | ^~~~~~~~~~~~~~~~~ 2024-04-26T11:19:51,397 src/framework.c: In function ‘AddImproperTorsionTypeToDefinitions’: 2024-04-26T11:19:51,400 src/framework.c:6833:7: warning: unused variable ‘CompareParameters’ [-Wunused-variable] 2024-04-26T11:19:51,401 6833 | int CompareParameters; 2024-04-26T11:19:51,401 | ^~~~~~~~~~~~~~~~~ 2024-04-26T11:19:51,437 src/framework.c: In function ‘ReadFrameworkSpecificDefinition’: 2024-04-26T11:19:51,442 src/framework.c:6943:7: warning: unused variable ‘int_temp1’ [-Wunused-variable] 2024-04-26T11:19:51,442 6943 | int int_temp1,int_temp2; 2024-04-26T11:19:51,442 | ^~~~~~~~~ 2024-04-26T11:19:51,447 src/framework.c:6941:18: warning: unused variable ‘dr’ [-Wunused-variable] 2024-04-26T11:19:51,447 6941 | VECTOR Rab,Rbc,dr; 2024-04-26T11:19:51,447 | ^~ 2024-04-26T11:19:51,451 src/framework.c:6941:14: warning: unused variable ‘Rbc’ [-Wunused-variable] 2024-04-26T11:19:51,452 6941 | VECTOR Rab,Rbc,dr; 2024-04-26T11:19:51,452 | ^~~ 2024-04-26T11:19:51,456 src/framework.c:6941:10: warning: unused variable ‘Rab’ [-Wunused-variable] 2024-04-26T11:19:51,456 6941 | VECTOR Rab,Rbc,dr; 2024-04-26T11:19:51,457 | ^~~ 2024-04-26T11:19:51,461 src/framework.c:6939:18: warning: unused variable ‘theta’ [-Wunused-variable] 2024-04-26T11:19:51,461 6939 | REAL r,rab,rbc,theta; 2024-04-26T11:19:51,461 | ^~~~~ 2024-04-26T11:19:51,466 src/framework.c:6939:14: warning: unused variable ‘rbc’ [-Wunused-variable] 2024-04-26T11:19:51,466 6939 | REAL r,rab,rbc,theta; 2024-04-26T11:19:51,466 | ^~~ 2024-04-26T11:19:51,471 src/framework.c:6939:10: warning: unused variable ‘rab’ [-Wunused-variable] 2024-04-26T11:19:51,471 6939 | REAL r,rab,rbc,theta; 2024-04-26T11:19:51,471 | ^~~ 2024-04-26T11:19:51,476 src/framework.c:6939:8: warning: unused variable ‘r’ [-Wunused-variable] 2024-04-26T11:19:51,476 6939 | REAL r,rab,rbc,theta; 2024-04-26T11:19:51,476 | ^ 2024-04-26T11:19:51,480 src/framework.c:6938:70: warning: unused variable ‘BendTorsionType’ [-Wunused-variable] 2024-04-26T11:19:51,481 6938 | int BondBondType=0,BondBendType=0,BendBendType=0,BondTorsionType=0,BendTorsionType=0; 2024-04-26T11:19:51,481 | ^~~~~~~~~~~~~~~ 2024-04-26T11:19:51,485 src/framework.c:6938:52: warning: unused variable ‘BondTorsionType’ [-Wunused-variable] 2024-04-26T11:19:51,485 6938 | int BondBondType=0,BondBendType=0,BendBendType=0,BondTorsionType=0,BendTorsionType=0; 2024-04-26T11:19:51,486 | ^~~~~~~~~~~~~~~ 2024-04-26T11:19:51,490 src/framework.c:6938:37: warning: unused variable ‘BendBendType’ [-Wunused-variable] 2024-04-26T11:19:51,490 6938 | int BondBondType=0,BondBendType=0,BendBendType=0,BondTorsionType=0,BendTorsionType=0; 2024-04-26T11:19:51,490 | ^~~~~~~~~~~~ 2024-04-26T11:19:51,495 src/framework.c:6938:22: warning: unused variable ‘BondBendType’ [-Wunused-variable] 2024-04-26T11:19:51,495 6938 | int BondBondType=0,BondBendType=0,BendBendType=0,BondTorsionType=0,BendTorsionType=0; 2024-04-26T11:19:51,495 | ^~~~~~~~~~~~ 2024-04-26T11:19:51,500 src/framework.c:6938:7: warning: unused variable ‘BondBondType’ [-Wunused-variable] 2024-04-26T11:19:51,500 6938 | int BondBondType=0,BondBendType=0,BendBendType=0,BondTorsionType=0,BendTorsionType=0; 2024-04-26T11:19:51,500 | ^~~~~~~~~~~~ 2024-04-26T11:19:51,505 src/framework.c:6937:43: warning: unused variable ‘InversionBendType’ [-Wunused-variable] 2024-04-26T11:19:51,505 6937 | int BondType=0,BendType=0,TorsionType=0,InversionBendType=0,ImproperTorsionType=0; 2024-04-26T11:19:51,505 | ^~~~~~~~~~~~~~~~~ 2024-04-26T11:19:51,510 src/framework.c:6936:7: warning: variable ‘NumberOfArguments’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:19:51,510 6936 | int NumberOfArguments; 2024-04-26T11:19:51,510 | ^~~~~~~~~~~~~~~~~ 2024-04-26T11:19:51,514 src/framework.c:6933:53: warning: unused variable ‘TypeNameD’ [-Wunused-variable] 2024-04-26T11:19:51,515 6933 | char TypeNameA[256],TypeNameB[256],TypeNameC[256],TypeNameD[256]; 2024-04-26T11:19:51,515 | ^~~~~~~~~ 2024-04-26T11:19:51,519 src/framework.c:6933:38: warning: unused variable ‘TypeNameC’ [-Wunused-variable] 2024-04-26T11:19:51,519 6933 | char TypeNameA[256],TypeNameB[256],TypeNameC[256],TypeNameD[256]; 2024-04-26T11:19:51,520 | ^~~~~~~~~ 2024-04-26T11:19:51,524 src/framework.c:6932:123: warning: unused variable ‘ListTypeD’ [-Wunused-variable] 2024-04-26T11:19:51,524 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2024-04-26T11:19:51,524 | ^~~~~~~~~ 2024-04-26T11:19:51,529 src/framework.c:6932:113: warning: unused variable ‘ListTypeC’ [-Wunused-variable] 2024-04-26T11:19:51,529 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2024-04-26T11:19:51,529 | ^~~~~~~~~ 2024-04-26T11:19:51,534 src/framework.c:6932:87: warning: unused variable ‘CurrentTypeD’ [-Wunused-variable] 2024-04-26T11:19:51,534 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2024-04-26T11:19:51,534 | ^~~~~~~~~~~~ 2024-04-26T11:19:51,539 src/framework.c:6932:74: warning: unused variable ‘CurrentTypeC’ [-Wunused-variable] 2024-04-26T11:19:51,539 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2024-04-26T11:19:51,539 | ^~~~~~~~~~~~ 2024-04-26T11:19:51,543 src/framework.c:6932:61: warning: unused variable ‘CurrentTypeB’ [-Wunused-variable] 2024-04-26T11:19:51,544 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2024-04-26T11:19:51,544 | ^~~~~~~~~~~~ 2024-04-26T11:19:51,548 src/framework.c:6932:48: warning: unused variable ‘CurrentTypeA’ [-Wunused-variable] 2024-04-26T11:19:51,548 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2024-04-26T11:19:51,549 | ^~~~~~~~~~~~ 2024-04-26T11:19:51,553 src/framework.c:6932:21: warning: unused variable ‘C1’ [-Wunused-variable] 2024-04-26T11:19:51,553 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2024-04-26T11:19:51,553 | ^~ 2024-04-26T11:19:51,558 src/framework.c:6932:18: warning: unused variable ‘B1’ [-Wunused-variable] 2024-04-26T11:19:51,558 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2024-04-26T11:19:51,558 | ^~ 2024-04-26T11:19:51,563 src/framework.c:6932:15: warning: unused variable ‘A1’ [-Wunused-variable] 2024-04-26T11:19:51,563 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2024-04-26T11:19:51,563 | ^~ 2024-04-26T11:19:51,568 src/framework.c:6931:60: warning: unused variable ‘arg_pointer’ [-Wunused-variable] 2024-04-26T11:19:51,568 6931 | char keyword[1024],arguments[16384],firstargument[1024],*arg_pointer; 2024-04-26T11:19:51,568 | ^~~~~~~~~~~ 2024-04-26T11:19:51,572 src/framework.c:6930:20: warning: unused variable ‘string’ [-Wunused-variable] 2024-04-26T11:19:51,573 6930 | char line[16384],string[1024],buffer[256]; 2024-04-26T11:19:51,573 | ^~~~~~ 2024-04-26T11:19:51,577 src/framework.c:6929:45: warning: unused variable ‘nr_atoms’ [-Wunused-variable] 2024-04-26T11:19:51,577 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2024-04-26T11:19:51,578 | ^~~~~~~~ 2024-04-26T11:19:51,582 src/framework.c:6929:37: warning: unused variable ‘present’ [-Wunused-variable] 2024-04-26T11:19:51,582 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2024-04-26T11:19:51,582 | ^~~~~~~ 2024-04-26T11:19:51,587 src/framework.c:6929:22: warning: unused variable ‘index_excluded’ [-Wunused-variable] 2024-04-26T11:19:51,587 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2024-04-26T11:19:51,587 | ^~~~~~~~~~~~~~ 2024-04-26T11:19:51,592 src/framework.c:6929:19: warning: unused variable ‘f1’ [-Wunused-variable] 2024-04-26T11:19:51,592 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2024-04-26T11:19:51,592 | ^~ 2024-04-26T11:19:51,597 src/framework.c:6929:17: warning: unused variable ‘n’ [-Wunused-variable] 2024-04-26T11:19:51,597 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2024-04-26T11:19:51,597 | ^ 2024-04-26T11:19:51,601 src/framework.c:6929:15: warning: unused variable ‘m’ [-Wunused-variable] 2024-04-26T11:19:51,602 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2024-04-26T11:19:51,602 | ^ 2024-04-26T11:19:51,606 src/framework.c:6929:13: warning: unused variable ‘l’ [-Wunused-variable] 2024-04-26T11:19:51,606 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2024-04-26T11:19:51,607 | ^ 2024-04-26T11:19:51,611 src/framework.c:6929:11: warning: unused variable ‘k’ [-Wunused-variable] 2024-04-26T11:19:51,611 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2024-04-26T11:19:51,611 | ^ 2024-04-26T11:19:51,629 src/framework.c: In function ‘WriteFrameworkDefinitionDLPOLY’: 2024-04-26T11:19:51,634 src/framework.c:7308:25: warning: variable ‘typeD’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:19:51,634 7308 | int typeA,typeB,typeC,typeD; 2024-04-26T11:19:51,635 | ^~~~~ 2024-04-26T11:19:51,639 src/framework.c:7308:19: warning: variable ‘typeC’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:19:51,640 7308 | int typeA,typeB,typeC,typeD; 2024-04-26T11:19:51,640 | ^~~~~ 2024-04-26T11:19:51,645 src/framework.c:7308:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:19:51,645 7308 | int typeA,typeB,typeC,typeD; 2024-04-26T11:19:51,645 | ^~~~~ 2024-04-26T11:19:51,821 src/framework.c: In function ‘ReadFrameworkDefinition’: 2024-04-26T11:19:51,826 src/framework.c:7827:8: warning: unused variable ‘string’ [-Wunused-variable] 2024-04-26T11:19:51,826 7827 | char string[256]; 2024-04-26T11:19:51,826 | ^~~~~~ 2024-04-26T11:19:51,831 src/framework.c:7826:17: warning: unused variable ‘int_temp2’ [-Wunused-variable] 2024-04-26T11:19:51,832 7826 | int int_temp1,int_temp2; 2024-04-26T11:19:51,832 | ^~~~~~~~~ 2024-04-26T11:19:51,837 src/framework.c:7826:7: warning: unused variable ‘int_temp1’ [-Wunused-variable] 2024-04-26T11:19:51,837 7826 | int int_temp1,int_temp2; 2024-04-26T11:19:51,837 | ^~~~~~~~~ 2024-04-26T11:19:51,842 src/framework.c:7814:22: warning: variable ‘index_excluded’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:19:51,842 7814 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2024-04-26T11:19:51,843 | ^~~~~~~~~~~~~~ 2024-04-26T11:19:51,865 src/framework.c: In function ‘MakeExcludedInteractionLists’: 2024-04-26T11:19:51,872 src/framework.c:11201:13: warning: variable ‘TypeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:19:51,873 11201 | int TypeA,TypeB; 2024-04-26T11:19:51,873 | ^~~~~ 2024-04-26T11:19:51,880 src/framework.c:11201:7: warning: variable ‘TypeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:19:51,880 11201 | int TypeA,TypeB; 2024-04-26T11:19:51,881 | ^~~~~ 2024-04-26T11:19:55,142 src/framework.c: In function ‘WriteFrameworkDefinitionMOL’: 2024-04-26T11:19:55,145 src/framework.c:3050:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2024-04-26T11:19:55,146 3050 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.mol",CurrentSystem,CurrentFramework,string,FileNameAppend); 2024-04-26T11:19:55,146 | ^~ ~~~~~~~~~~~~~~ 2024-04-26T11:19:55,148 src/framework.c:3050:9: note: ‘sprintf’ output 33 or more bytes (assuming 288) into a destination of size 256 2024-04-26T11:19:55,148 3050 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.mol",CurrentSystem,CurrentFramework,string,FileNameAppend); 2024-04-26T11:19:55,148 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:19:55,264 src/framework.c: In function ‘WriteFrameworkDefinitionCSSR’: 2024-04-26T11:19:55,268 src/framework.c:3463:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2024-04-26T11:19:55,268 3463 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.cssr",CurrentSystem,CurrentFramework,string,FileNameAppend); 2024-04-26T11:19:55,268 | ^~ ~~~~~~~~~~~~~~ 2024-04-26T11:19:55,270 src/framework.c:3463:9: note: ‘sprintf’ output 34 or more bytes (assuming 289) into a destination of size 256 2024-04-26T11:19:55,271 3463 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.cssr",CurrentSystem,CurrentFramework,string,FileNameAppend); 2024-04-26T11:19:55,271 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:19:55,274 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=] 2024-04-26T11:19:55,274 3530 | snprintf(AtomName,10,"%-6s",PseudoAtoms[Framework[CurrentSystem].AtomsAsymmetric[CurrentFramework][j].Type].PrintToPDBName); 2024-04-26T11:19:55,274 | ^~~~ 2024-04-26T11:19:55,277 src/framework.c:3530:15: note: ‘snprintf’ output between 7 and 32 bytes into a destination of size 10 2024-04-26T11:19:55,277 3530 | snprintf(AtomName,10,"%-6s",PseudoAtoms[Framework[CurrentSystem].AtomsAsymmetric[CurrentFramework][j].Type].PrintToPDBName); 2024-04-26T11:19:55,277 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:19:55,281 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=] 2024-04-26T11:19:55,281 3502 | snprintf(AtomName,10,"%-6s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2024-04-26T11:19:55,281 | ^~~~ 2024-04-26T11:19:55,284 src/framework.c:3502:15: note: ‘snprintf’ output between 7 and 32 bytes into a destination of size 10 2024-04-26T11:19:55,284 3502 | snprintf(AtomName,10,"%-6s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2024-04-26T11:19:55,284 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:19:55,448 src/framework.c: In function ‘WriteFrameworkDefinitionPDB’: 2024-04-26T11:19:55,452 src/framework.c:3596:52: warning: ‘%s’ directive writing up to 255 bytes into a region of size 230 [-Wformat-overflow=] 2024-04-26T11:19:55,452 3596 | sprintf(buffer,"Movies/System_%d/Framework_%s%s.pdb",CurrentSystem,string,FileNameAppend); 2024-04-26T11:19:55,452 | ^~ ~~~~~~~~~~~~~~ 2024-04-26T11:19:55,455 src/framework.c:3596:7: note: ‘sprintf’ output 31 or more bytes (assuming 286) into a destination of size 256 2024-04-26T11:19:55,455 3596 | sprintf(buffer,"Movies/System_%d/Framework_%s%s.pdb",CurrentSystem,string,FileNameAppend); 2024-04-26T11:19:55,455 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:19:55,459 src/framework.c:3603:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2024-04-26T11:19:55,459 3603 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.pdb",CurrentSystem,CurrentFramework,string,FileNameAppend); 2024-04-26T11:19:55,459 | ^~ ~~~~~~~~~~~~~~ 2024-04-26T11:19:55,462 src/framework.c:3603:9: note: ‘sprintf’ output 33 or more bytes (assuming 288) into a destination of size 256 2024-04-26T11:19:55,462 3603 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.pdb",CurrentSystem,CurrentFramework,string,FileNameAppend); 2024-04-26T11:19:55,462 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:19:55,465 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=] 2024-04-26T11:19:55,465 3617 | snprintf(AtomName,10,"%2s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2024-04-26T11:19:55,466 | ^~~ 2024-04-26T11:19:55,468 src/framework.c:3617:13: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 10 2024-04-26T11:19:55,468 3617 | snprintf(AtomName,10,"%2s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2024-04-26T11:19:55,468 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:19:55,471 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=] 2024-04-26T11:19:55,471 3618 | snprintf(Element,10,"%2s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2024-04-26T11:19:55,471 | ^~~ 2024-04-26T11:19:55,474 src/framework.c:3618:13: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 10 2024-04-26T11:19:55,474 3618 | snprintf(Element,10,"%2s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2024-04-26T11:19:55,474 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:19:55,644 src/framework.c: In function ‘WriteFrameworkDefinitionGulp’: 2024-04-26T11:19:55,648 src/framework.c:3672:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2024-04-26T11:19:55,648 3672 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.gulp",CurrentSystem,CurrentFramework,string,FileNameAppend); 2024-04-26T11:19:55,648 | ^~ ~~~~~~~~~~~~~~ 2024-04-26T11:19:55,650 src/framework.c:3672:9: note: ‘sprintf’ output 34 or more bytes (assuming 289) into a destination of size 256 2024-04-26T11:19:55,650 3672 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.gulp",CurrentSystem,CurrentFramework,string,FileNameAppend); 2024-04-26T11:19:55,650 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:19:55,908 src/framework.c: In function ‘WriteFrameworkDefinitionVASP’: 2024-04-26T11:19:55,912 src/framework.c:3808:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2024-04-26T11:19:55,912 3808 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.vasp",CurrentSystem,CurrentFramework,string,FileNameAppend); 2024-04-26T11:19:55,912 | ^~ ~~~~~~~~~~~~~~ 2024-04-26T11:19:55,914 src/framework.c:3808:9: note: ‘sprintf’ output 34 or more bytes (assuming 289) into a destination of size 256 2024-04-26T11:19:55,914 3808 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.vasp",CurrentSystem,CurrentFramework,string,FileNameAppend); 2024-04-26T11:19:55,914 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:19:56,053 src/framework.c: In function ‘WriteFrameworkDefinitionTinker’: 2024-04-26T11:19:56,057 src/framework.c:3915:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2024-04-26T11:19:56,057 3915 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.txyz",CurrentSystem,CurrentFramework,string,FileNameAppend); 2024-04-26T11:19:56,057 | ^~ ~~~~~~~~~~~~~~ 2024-04-26T11:19:56,060 src/framework.c:3915:9: note: ‘sprintf’ output 34 or more bytes (assuming 289) into a destination of size 256 2024-04-26T11:19:56,060 3915 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.txyz",CurrentSystem,CurrentFramework,string,FileNameAppend); 2024-04-26T11:19:56,060 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:19:56,063 src/framework.c:3925:31: warning: ‘%3s’ directive writing between 3 and 31 bytes into a region of size 10 [-Wformat-overflow=] 2024-04-26T11:19:56,063 3925 | sprintf(AtomName,"%3s",PseudoAtoms[Type].PrintToPDBName); 2024-04-26T11:19:56,063 | ^~~ 2024-04-26T11:19:56,065 src/framework.c:3925:13: note: ‘sprintf’ output between 4 and 32 bytes into a destination of size 10 2024-04-26T11:19:56,065 3925 | sprintf(AtomName,"%3s",PseudoAtoms[Type].PrintToPDBName); 2024-04-26T11:19:56,066 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:19:56,922 src/framework.c: In function ‘ReadIonSitingDefinition’: 2024-04-26T11:19:56,927 src/framework.c:4848:22: warning: ‘%s’ directive writing 4 bytes into a region of size between 0 and 255 [-Wformat-overflow=] 2024-04-26T11:19:56,927 4848 | sprintf(buffer,"%s.%s",Framework[CurrentSystem].NameIons,"ions"); 2024-04-26T11:19:56,927 | ^~ ~~~~~~ 2024-04-26T11:19:56,930 src/framework.c:4848:3: note: ‘sprintf’ output between 6 and 261 bytes into a destination of size 256 2024-04-26T11:19:56,930 4848 | sprintf(buffer,"%s.%s",Framework[CurrentSystem].NameIons,"ions"); 2024-04-26T11:19:56,930 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:19:56,933 src/framework.c:4851:52: warning: ‘%s’ directive writing up to 255 bytes into a region of size 227 [-Wformat-overflow=] 2024-04-26T11:19:56,933 4851 | sprintf(buffer,"%s/share/raspa/structures/ions/%s.%s", 2024-04-26T11:19:56,933 | ^~ 2024-04-26T11:19:56,936 src/framework.c:4851:5: note: ‘sprintf’ output 35 or more bytes (assuming 290) into a destination of size 256 2024-04-26T11:19:56,936 4851 | sprintf(buffer,"%s/share/raspa/structures/ions/%s.%s", 2024-04-26T11:19:56,936 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:19:56,936 4852 | RASPA_DIRECTORY, 2024-04-26T11:19:56,936 | ~~~~~~~~~~~~~~~~ 2024-04-26T11:19:56,936 4853 | Framework[CurrentSystem].NameIons, 2024-04-26T11:19:56,937 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:19:56,937 4854 | "ions"); 2024-04-26T11:19:56,937 | ~~~~~~~ 2024-04-26T11:20:03,130 src/framework.c: In function ‘WriteFrameworkDefinitionCIF.part.0’: 2024-04-26T11:20:03,132 src/framework.c:2102:69: warning: ‘%s’ directive writing up to 255 bytes into a region of size 217 [-Wformat-overflow=] 2024-04-26T11:20:03,132 2102 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d_VASP%s.cif", 2024-04-26T11:20:03,132 | ^~ 2024-04-26T11:20:03,133 ...... 2024-04-26T11:20:03,133 2105 | FileNameAppend); 2024-04-26T11:20:03,133 | ~~~~~~~~~~~~~~ 2024-04-26T11:20:03,133 src/framework.c:2102:7: note: ‘sprintf’ output 44 or more bytes (assuming 299) into a destination of size 256 2024-04-26T11:20:03,133 2102 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d_VASP%s.cif", 2024-04-26T11:20:03,134 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:20:03,134 2103 | CurrentSystem,CurrentFramework,string, 2024-04-26T11:20:03,134 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:20:03,134 2104 | NumberOfUnitCells[CurrentSystem].x,NumberOfUnitCells[CurrentSystem].y,NumberOfUnitCells[CurrentSystem].z, 2024-04-26T11:20:03,134 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:20:03,134 2105 | FileNameAppend); 2024-04-26T11:20:03,134 | ~~~~~~~~~~~~~~~ 2024-04-26T11:20:03,140 src/framework.c:2329:67: warning: ‘%s’ directive writing up to 255 bytes into a region of size 219 [-Wformat-overflow=] 2024-04-26T11:20:03,140 2329 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d_P1%s.cif", 2024-04-26T11:20:03,140 | ^~ 2024-04-26T11:20:03,141 ...... 2024-04-26T11:20:03,141 2332 | FileNameAppend); 2024-04-26T11:20:03,141 | ~~~~~~~~~~~~~~ 2024-04-26T11:20:03,141 src/framework.c:2329:7: note: ‘sprintf’ output 42 or more bytes (assuming 297) into a destination of size 256 2024-04-26T11:20:03,141 2329 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d_P1%s.cif", 2024-04-26T11:20:03,141 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:20:03,142 2330 | CurrentSystem,CurrentFramework,string, 2024-04-26T11:20:03,142 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:20:03,142 2331 | NumberOfUnitCells[CurrentSystem].x,NumberOfUnitCells[CurrentSystem].y,NumberOfUnitCells[CurrentSystem].z, 2024-04-26T11:20:03,142 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:20:03,142 2332 | FileNameAppend); 2024-04-26T11:20:03,142 | ~~~~~~~~~~~~~~~ 2024-04-26T11:20:03,148 src/framework.c:2548:66: warning: ‘%s’ directive writing up to 255 bytes into a region of size 222 [-Wformat-overflow=] 2024-04-26T11:20:03,148 2548 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d%s.cif", 2024-04-26T11:20:03,148 | ^~ 2024-04-26T11:20:03,148 2549 | CurrentSystem,CurrentFramework,string,1,1,1,FileNameAppend); 2024-04-26T11:20:03,149 | ~~~~~~~~~~~~~~ 2024-04-26T11:20:03,149 src/framework.c:2548:9: note: ‘sprintf’ output 39 or more bytes (assuming 294) into a destination of size 256 2024-04-26T11:20:03,149 2548 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d%s.cif", 2024-04-26T11:20:03,150 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:20:03,150 2549 | CurrentSystem,CurrentFramework,string,1,1,1,FileNameAppend); 2024-04-26T11:20:03,150 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:20:05,669 src/framework.c: In function ‘AddBondTypeToDefinitions’: 2024-04-26T11:20:05,673 src/framework.c:6650:78: warning: ‘parameters[0]’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:20:05,673 6650 | Framework[CurrentSystem].BondArgumentDefinitions[index][j]=parameters[j]; 2024-04-26T11:20:05,673 | ~~~~~~~~~~^~~ 2024-04-26T11:20:05,677 src/framework.c:6576:7: warning: ‘NumberOfArguments’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:20:05,677 6576 | int NumberOfArguments; 2024-04-26T11:20:05,678 | ^~~~~~~~~~~~~~~~~ 2024-04-26T11:20:05,790 src/framework.c: In function ‘AddBendTypeToDefinitions’: 2024-04-26T11:20:05,793 src/framework.c:6732:78: warning: ‘parameters[0]’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:20:05,794 6732 | Framework[CurrentSystem].BendArgumentDefinitions[index][j]=parameters[j]; 2024-04-26T11:20:05,794 | ~~~~~~~~~~^~~ 2024-04-26T11:20:05,904 src/framework.c: In function ‘AddTorsionTypeToDefinitions’: 2024-04-26T11:20:05,907 src/framework.c:6823:81: warning: ‘parameters[0]’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:20:05,907 6823 | Framework[CurrentSystem].TorsionArgumentDefinitions[index][j]=parameters[j]; 2024-04-26T11:20:05,908 | ~~~~~~~~~~^~~ 2024-04-26T11:20:06,029 src/framework.c: In function ‘AddImproperTorsionTypeToDefinitions’: 2024-04-26T11:20:06,033 src/framework.c:6914:89: warning: ‘parameters[0]’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:20:06,033 6914 | Framework[CurrentSystem].ImproperTorsionArgumentDefinitions[index][j]=parameters[j]; 2024-04-26T11:20:06,033 | ~~~~~~~~~~^~~ 2024-04-26T11:20:09,053 src/framework.c: In function ‘ReadFrameworkDefinition’: 2024-04-26T11:20:09,058 src/framework.c:7846:48: warning: ‘%s’ directive writing up to 255 bytes into a region of size 233 [-Wformat-overflow=] 2024-04-26T11:20:09,059 7846 | sprintf(buffer,"%s/share/raspa/framework/%s/%s.%s",RASPA_DIRECTORY, 2024-04-26T11:20:09,059 | ^~ 2024-04-26T11:20:09,063 src/framework.c:7846:7: note: ‘sprintf’ output 38 or more bytes (assuming 293) into a destination of size 256 2024-04-26T11:20:09,063 7846 | sprintf(buffer,"%s/share/raspa/framework/%s/%s.%s",RASPA_DIRECTORY, 2024-04-26T11:20:09,063 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:20:09,063 7847 | Framework[CurrentSystem].FrameworkDefinitions,"framework","def"); 2024-04-26T11:20:09,063 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:20:09,068 src/framework.c:7851:50: warning: ‘%s’ directive writing up to 255 bytes into a region of size 233 [-Wformat-overflow=] 2024-04-26T11:20:09,068 7851 | sprintf(buffer,"%s/share/raspa/framework/%s/%s.%s",RASPA_DIRECTORY, 2024-04-26T11:20:09,068 | ^~ 2024-04-26T11:20:09,072 src/framework.c:7851:9: note: ‘sprintf’ output 38 or more bytes (assuming 293) into a destination of size 256 2024-04-26T11:20:09,072 7851 | sprintf(buffer,"%s/share/raspa/framework/%s/%s.%s",RASPA_DIRECTORY, 2024-04-26T11:20:09,073 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:20:09,073 7852 | Framework[CurrentSystem].FrameworkDefinitions,"Framework","def"); 2024-04-26T11:20:09,073 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:20:17,050 src/framework.c: In function ‘WriteAsymmetricUnitCell’: 2024-04-26T11:20:17,062 src/framework.c:11857:42: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 224 and 234 [-Wformat-overflow=] 2024-04-26T11:20:17,062 11857 | sprintf(buffer,"framework_asymmetric_%d%s.cssr",sp,FileNameAppend); 2024-04-26T11:20:17,062 | ^~ ~~~~~~~~~~~~~~ 2024-04-26T11:20:17,069 src/framework.c:11857:3: note: ‘sprintf’ output between 28 and 293 bytes into a destination of size 256 2024-04-26T11:20:17,070 11857 | sprintf(buffer,"framework_asymmetric_%d%s.cssr",sp,FileNameAppend); 2024-04-26T11:20:17,070 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:20:20,100 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/framework_born.c -o build/temp.linux-armv7l-cpython-39/src/framework_born.o 2024-04-26T11:20:20,271 src/framework_born.c: In function ‘CalculateFrameworkBendBornTerm’: 2024-04-26T11:20:20,272 src/framework_born.c:442:20: warning: variable ‘DF2’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:20,272 442 | REAL DTDX,DF,DDF,DF2; 2024-04-26T11:20:20,272 | ^~~ 2024-04-26T11:20:20,273 src/framework_born.c:441:25: warning: variable ‘fb’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:20,273 441 | VECTOR Rab,Rbc,Rac,fa,fb,fc; 2024-04-26T11:20:20,273 | ^~ 2024-04-26T11:20:20,279 src/framework_born.c: In function ‘CalculateFrameworkTorsionBornTerm’: 2024-04-26T11:20:20,279 src/framework_born.c:1009:11: warning: this ‘else’ clause does not guard... [-Wmisleading-indentation] 2024-04-26T11:20:20,279 1009 | else 2024-04-26T11:20:20,279 | ^~~~ 2024-04-26T11:20:20,279 src/framework_born.c:1011:13: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘else’ 2024-04-26T11:20:20,279 1011 | DDF=-parms[0]*parms[1]*(parms[1]*cos(-parms[1]*Phi+parms[2])+sin(-parms[1]*Phi+parms[2])*CosPhi/SinPhi)/SQR(SinPhi); 2024-04-26T11:20:20,280 | ^~~ 2024-04-26T11:20:20,338 src/framework_born.c: In function ‘CalculateFrameworkIntraVDWBornTerm’: 2024-04-26T11:20:20,339 src/framework_born.c:2157:16: warning: variable ‘chargeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:20,339 2157 | REAL chargeA,chargeB,energy,DF,DDF; 2024-04-26T11:20:20,339 | ^~~~~~~ 2024-04-26T11:20:20,339 src/framework_born.c:2157:8: warning: variable ‘chargeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:20,340 2157 | REAL chargeA,chargeB,energy,DF,DDF; 2024-04-26T11:20:20,340 | ^~~~~~~ 2024-04-26T11:20:20,342 src/framework_born.c: In function ‘CalculateFrameworkIntraChargeChargeBornTerm’: 2024-04-26T11:20:20,343 src/framework_born.c:2238:17: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:20,343 2238 | int i,j,typeA,typeB,start; 2024-04-26T11:20:20,343 | ^~~~~ 2024-04-26T11:20:20,344 src/framework_born.c:2238:11: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:20,344 2238 | int i,j,typeA,typeB,start; 2024-04-26T11:20:20,344 | ^~~~~ 2024-04-26T11:20:20,348 src/framework_born.c: In function ‘FrameworkAdsorbateChargeChargeBornTerm’: 2024-04-26T11:20:20,349 src/framework_born.c:2473:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:20,349 2473 | int typeA,typeB; 2024-04-26T11:20:20,350 | ^~~~~ 2024-04-26T11:20:20,350 src/framework_born.c:2473:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:20,351 2473 | int typeA,typeB; 2024-04-26T11:20:20,351 | ^~~~~ 2024-04-26T11:20:20,352 src/framework_born.c: In function ‘FrameworkCationChargeChargeBornTerm’: 2024-04-26T11:20:20,353 src/framework_born.c:2549:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:20,353 2549 | int typeA,typeB; 2024-04-26T11:20:20,353 | ^~~~~ 2024-04-26T11:20:20,354 src/framework_born.c:2549:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:20,354 2549 | int typeA,typeB; 2024-04-26T11:20:20,355 | ^~~~~ 2024-04-26T11:20:20,358 src/framework_born.c: In function ‘CalculateFrameworkIntraReplicaVDWBornTerm’: 2024-04-26T11:20:20,359 src/framework_born.c:2625:16: warning: variable ‘chargeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:20,360 2625 | REAL chargeA,chargeB,energy,DF,DDF; 2024-04-26T11:20:20,360 | ^~~~~~~ 2024-04-26T11:20:20,361 src/framework_born.c:2625:8: warning: variable ‘chargeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:20,361 2625 | REAL chargeA,chargeB,energy,DF,DDF; 2024-04-26T11:20:20,361 | ^~~~~~~ 2024-04-26T11:20:20,365 src/framework_born.c: In function ‘CalculateFrameworkIntraReplicaChargeChargeBornTerm’: 2024-04-26T11:20:20,366 src/framework_born.c:2742:17: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:20,366 2742 | int i,j,typeA,typeB,start; 2024-04-26T11:20:20,366 | ^~~~~ 2024-04-26T11:20:20,367 src/framework_born.c:2742:11: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:20,367 2742 | int i,j,typeA,typeB,start; 2024-04-26T11:20:20,368 | ^~~~~ 2024-04-26T11:20:20,372 src/framework_born.c: In function ‘FrameworkAdsorbateReplicaChargeChargeBornTerm’: 2024-04-26T11:20:20,373 src/framework_born.c:3041:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:20,374 3041 | REAL r,rr; 2024-04-26T11:20:20,374 | ^ 2024-04-26T11:20:20,375 src/framework_born.c:3039:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:20,375 3039 | int typeA,typeB; 2024-04-26T11:20:20,375 | ^~~~~ 2024-04-26T11:20:20,376 src/framework_born.c:3039:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:20,377 3039 | int typeA,typeB; 2024-04-26T11:20:20,377 | ^~~~~ 2024-04-26T11:20:20,378 src/framework_born.c: In function ‘FrameworkCationReplicaChargeChargeBornTerm’: 2024-04-26T11:20:20,379 src/framework_born.c:3128:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:20,380 3128 | int typeA,typeB; 2024-04-26T11:20:20,380 | ^~~~~ 2024-04-26T11:20:20,381 src/framework_born.c:3128:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:20,381 3128 | int typeA,typeB; 2024-04-26T11:20:20,382 | ^~~~~ 2024-04-26T11:20:32,193 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/framework_energy.c -o build/temp.linux-armv7l-cpython-39/src/framework_energy.o 2024-04-26T11:20:32,347 src/framework_energy.c: In function ‘CalculateFrameworkChargeEnergyAtPosition’: 2024-04-26T11:20:32,348 src/framework_energy.c:171:9: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,348 171 | int i,typeB,f1,k; 2024-04-26T11:20:32,348 | ^~~~~ 2024-04-26T11:20:32,358 src/framework_energy.c: In function ‘CalculateFrameworkBendEnergy’: 2024-04-26T11:20:32,359 src/framework_energy.c:748:20: warning: variable ‘DTDX’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,359 748 | REAL rab,rbc,rac,DTDX,UHostBend; 2024-04-26T11:20:32,359 | ^~~~ 2024-04-26T11:20:32,359 src/framework_energy.c:747:23: warning: variable ‘SinTheta’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,359 747 | REAL CosTheta,Theta,SinTheta; 2024-04-26T11:20:32,359 | ^~~~~~~~ 2024-04-26T11:20:32,376 src/framework_energy.c: In function ‘CalculateFrameworkBondBendEnergy’: 2024-04-26T11:20:32,377 src/framework_energy.c:1645:19: warning: variable ‘sint’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,377 1645 | REAL cost,theta,sint; 2024-04-26T11:20:32,378 | ^~~~ 2024-04-26T11:20:32,380 src/framework_energy.c: In function ‘CalculateFrameworkBendBendEnergy’: 2024-04-26T11:20:32,381 src/framework_energy.c:1787:52: warning: variable ‘SinTheta2’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,381 1787 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2024-04-26T11:20:32,381 | ^~~~~~~~~ 2024-04-26T11:20:32,382 src/framework_energy.c:1787:42: warning: variable ‘SinTheta1’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,382 1787 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2024-04-26T11:20:32,382 | ^~~~~~~~~ 2024-04-26T11:20:32,384 src/framework_energy.c: In function ‘CalculateFrameworkBondTorsionEnergy’: 2024-04-26T11:20:32,385 src/framework_energy.c:1883:18: warning: variable ‘rcd’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,385 1883 | REAL U,rab,rbc,rcd; 2024-04-26T11:20:32,385 | ^~~ 2024-04-26T11:20:32,386 src/framework_energy.c:1883:10: warning: variable ‘rab’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,386 1883 | REAL U,rab,rbc,rcd; 2024-04-26T11:20:32,386 | ^~~ 2024-04-26T11:20:32,390 src/framework_energy.c: In function ‘CalculateFrameworkBendTorsionEnergy’: 2024-04-26T11:20:32,391 src/framework_energy.c:1989:52: warning: variable ‘SinTheta2’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,391 1989 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2024-04-26T11:20:32,391 | ^~~~~~~~~ 2024-04-26T11:20:32,392 src/framework_energy.c:1989:42: warning: variable ‘SinTheta1’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,393 1989 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2024-04-26T11:20:32,393 | ^~~~~~~~~ 2024-04-26T11:20:32,398 src/framework_energy.c: In function ‘CalculateFrameworkIntraChargeChargeEnergy’: 2024-04-26T11:20:32,399 src/framework_energy.c:2268:8: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,399 2268 | REAL alpha; 2024-04-26T11:20:32,399 | ^~~~~ 2024-04-26T11:20:32,400 src/framework_energy.c:2262:17: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,400 2262 | int i,j,typeA,typeB; 2024-04-26T11:20:32,401 | ^~~~~ 2024-04-26T11:20:32,402 src/framework_energy.c:2262:11: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,402 2262 | int i,j,typeA,typeB; 2024-04-26T11:20:32,402 | ^~~~~ 2024-04-26T11:20:32,405 src/framework_energy.c: In function ‘CalculateFrameworkIntraChargeBondDipoleEnergy’: 2024-04-26T11:20:32,406 src/framework_energy.c:2388:8: warning: variable ‘Bt1’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,406 2388 | REAL Bt1; 2024-04-26T11:20:32,406 | ^~~ 2024-04-26T11:20:32,410 src/framework_energy.c: In function ‘CalculateFrameworkIntraBondDipoleBondDipoleEnergy’: 2024-04-26T11:20:32,411 src/framework_energy.c:2506:8: warning: variable ‘Bt1’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,411 2506 | REAL Bt1,Bt2; 2024-04-26T11:20:32,411 | ^~~ 2024-04-26T11:20:32,414 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateVDWEnergy’: 2024-04-26T11:20:32,416 src/framework_energy.c:2642:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,416 2642 | int typeA,typeB,type; 2024-04-26T11:20:32,416 | ^~~~ 2024-04-26T11:20:32,420 src/framework_energy.c: In function ‘CalculateFrameworkCationVDWEnergy’: 2024-04-26T11:20:32,422 src/framework_energy.c:2747:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,422 2747 | int typeA,typeB,type; 2024-04-26T11:20:32,422 | ^~~~ 2024-04-26T11:20:32,424 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateChargeChargeEnergy’: 2024-04-26T11:20:32,425 src/framework_energy.c:2852:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,425 2852 | int typeA,typeB,type; 2024-04-26T11:20:32,425 | ^~~~ 2024-04-26T11:20:32,427 src/framework_energy.c:2852:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,427 2852 | int typeA,typeB,type; 2024-04-26T11:20:32,427 | ^~~~~ 2024-04-26T11:20:32,429 src/framework_energy.c: In function ‘CalculateFrameworkCationChargeChargeEnergy’: 2024-04-26T11:20:32,430 src/framework_energy.c:2908:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,430 2908 | int typeA,typeB,type; 2024-04-26T11:20:32,430 | ^~~~ 2024-04-26T11:20:32,432 src/framework_energy.c:2908:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,432 2908 | int typeA,typeB,type; 2024-04-26T11:20:32,432 | ^~~~~ 2024-04-26T11:20:32,435 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateChargeBondDipoleEnergy’: 2024-04-26T11:20:32,437 src/framework_energy.c:2969:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,437 2969 | REAL Bt0,Bt1; 2024-04-26T11:20:32,437 | ^~~ 2024-04-26T11:20:32,439 src/framework_energy.c: In function ‘CalculateFrameworkCationChargeBondDipoleEnergy’: 2024-04-26T11:20:32,441 src/framework_energy.c:3079:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,441 3079 | REAL Bt0,Bt1; 2024-04-26T11:20:32,441 | ^~~ 2024-04-26T11:20:32,443 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateBondDipoleBondDipoleEnergy’: 2024-04-26T11:20:32,445 src/framework_energy.c:3188:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,445 3188 | REAL Bt0,Bt1,Bt2; 2024-04-26T11:20:32,446 | ^~~ 2024-04-26T11:20:32,448 src/framework_energy.c: In function ‘CalculateFrameworkCationBondDipoleBondDipoleEnergy’: 2024-04-26T11:20:32,449 src/framework_energy.c:3261:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,450 3261 | REAL Bt0,Bt1,Bt2; 2024-04-26T11:20:32,450 | ^~~ 2024-04-26T11:20:32,457 src/framework_energy.c: In function ‘CalculateFrameworkShiftEnergyDifferenceAdsorbateCharge’: 2024-04-26T11:20:32,459 src/framework_energy.c:3371:19: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,459 3371 | int i,j,m,typeA,typeB; 2024-04-26T11:20:32,459 | ^~~~~ 2024-04-26T11:20:32,461 src/framework_energy.c:3371:13: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,461 3371 | int i,j,m,typeA,typeB; 2024-04-26T11:20:32,461 | ^~~~~ 2024-04-26T11:20:32,469 src/framework_energy.c: In function ‘CalculateFrameworkShiftEnergyDifferenceCationCharge’: 2024-04-26T11:20:32,471 src/framework_energy.c:3607:19: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,471 3607 | int i,j,m,typeA,typeB; 2024-04-26T11:20:32,471 | ^~~~~ 2024-04-26T11:20:32,473 src/framework_energy.c:3607:13: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,473 3607 | int i,j,m,typeA,typeB; 2024-04-26T11:20:32,473 | ^~~~~ 2024-04-26T11:20:32,488 src/framework_energy.c: In function ‘CalculateEnergyDifferenceFrameworkMoveCharge’: 2024-04-26T11:20:32,490 src/framework_energy.c:3886:20: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,490 3886 | int i,j,f1,typeA,typeB; 2024-04-26T11:20:32,491 | ^~~~~ 2024-04-26T11:20:32,493 src/framework_energy.c:3886:14: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,493 3886 | int i,j,f1,typeA,typeB; 2024-04-26T11:20:32,493 | ^~~~~ 2024-04-26T11:20:32,507 src/framework_energy.c: In function ‘CalculateFrameworkIntraReplicaVDWEnergy’: 2024-04-26T11:20:32,510 src/framework_energy.c:4390:8: warning: unused variable ‘r’ [-Wunused-variable] 2024-04-26T11:20:32,510 4390 | REAL r; 2024-04-26T11:20:32,510 | ^ 2024-04-26T11:20:32,514 src/framework_energy.c: In function ‘CalculateFrameworkIntraReplicaChargeChargeEnergy’: 2024-04-26T11:20:32,516 src/framework_energy.c:4483:8: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,517 4483 | REAL alpha; 2024-04-26T11:20:32,517 | ^~~~~ 2024-04-26T11:20:32,519 src/framework_energy.c:4477:17: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,519 4477 | int i,j,typeA,typeB,start; 2024-04-26T11:20:32,519 | ^~~~~ 2024-04-26T11:20:32,522 src/framework_energy.c:4477:11: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,522 4477 | int i,j,typeA,typeB,start; 2024-04-26T11:20:32,522 | ^~~~~ 2024-04-26T11:20:32,523 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateReplicaVDWEnergy’: 2024-04-26T11:20:32,525 src/framework_energy.c:4576:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,525 4576 | int typeA,typeB,type; 2024-04-26T11:20:32,525 | ^~~~ 2024-04-26T11:20:32,526 src/framework_energy.c: In function ‘CalculateFrameworkCationReplicaVDWEnergy’: 2024-04-26T11:20:32,528 src/framework_energy.c:4626:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,528 4626 | int typeA,typeB,type; 2024-04-26T11:20:32,529 | ^~~~ 2024-04-26T11:20:32,530 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateReplicaChargeChargeEnergy’: 2024-04-26T11:20:32,533 src/framework_energy.c:4676:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,533 4676 | int typeA,typeB,type; 2024-04-26T11:20:32,533 | ^~~~ 2024-04-26T11:20:32,536 src/framework_energy.c:4676:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,536 4676 | int typeA,typeB,type; 2024-04-26T11:20:32,536 | ^~~~~ 2024-04-26T11:20:32,538 src/framework_energy.c: In function ‘CalculateFrameworkCationReplicaChargeChargeEnergy’: 2024-04-26T11:20:32,541 src/framework_energy.c:4737:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,541 4737 | int typeA,typeB,type; 2024-04-26T11:20:32,541 | ^~~~ 2024-04-26T11:20:32,543 src/framework_energy.c:4737:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,544 4737 | int typeA,typeB,type; 2024-04-26T11:20:32,544 | ^~~~~ 2024-04-26T11:20:32,612 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateVDWEnergyDifferenceRXCM’: 2024-04-26T11:20:32,616 src/framework_energy.c:6844:7: warning: unused variable ‘ncell’ [-Wunused-variable] 2024-04-26T11:20:32,616 6844 | int ncell; 2024-04-26T11:20:32,616 | ^~~~~ 2024-04-26T11:20:32,620 src/framework_energy.c:6843:16: warning: unused variable ‘TypeMolB’ [-Wunused-variable] 2024-04-26T11:20:32,620 6843 | int TypeMolA,TypeMolB; 2024-04-26T11:20:32,620 | ^~~~~~~~ 2024-04-26T11:20:32,625 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateVDWEnergyDifferenceNewRXCM’: 2024-04-26T11:20:32,629 src/framework_energy.c:6965:7: warning: variable ‘RXMCMoleculeNumbers’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,629 6965 | int RXMCMoleculeNumbers[256]; 2024-04-26T11:20:32,630 | ^~~~~~~~~~~~~~~~~~~ 2024-04-26T11:20:32,633 src/framework_energy.c:6963:8: warning: unused variable ‘scalingB_new’ [-Wunused-variable] 2024-04-26T11:20:32,634 6963 | REAL scalingB_new; 2024-04-26T11:20:32,634 | ^~~~~~~~~~~~ 2024-04-26T11:20:32,638 src/framework_energy.c:6962:21: warning: unused variable ‘scalingB’ [-Wunused-variable] 2024-04-26T11:20:32,638 6962 | REAL scalingA_new,scalingB; 2024-04-26T11:20:32,638 | ^~~~~~~~ 2024-04-26T11:20:32,642 src/framework_energy.c:6959:16: warning: unused variable ‘TypeMolB’ [-Wunused-variable] 2024-04-26T11:20:32,642 6959 | int TypeMolA,TypeMolB; 2024-04-26T11:20:32,642 | ^~~~~~~~ 2024-04-26T11:20:32,646 src/framework_energy.c:6957:14: warning: unused variable ‘indexB’ [-Wunused-variable] 2024-04-26T11:20:32,646 6957 | int indexA,indexB; 2024-04-26T11:20:32,646 | ^~~~~~ 2024-04-26T11:20:32,650 src/framework_energy.c:6957:7: warning: unused variable ‘indexA’ [-Wunused-variable] 2024-04-26T11:20:32,650 6957 | int indexA,indexB; 2024-04-26T11:20:32,650 | ^~~~~~ 2024-04-26T11:20:32,660 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateChargeChargeEnergyDifferenceRXCM’: 2024-04-26T11:20:32,664 src/framework_energy.c:7047:7: warning: unused variable ‘ncell’ [-Wunused-variable] 2024-04-26T11:20:32,665 7047 | int ncell; 2024-04-26T11:20:32,665 | ^~~~~ 2024-04-26T11:20:32,669 src/framework_energy.c:7046:16: warning: unused variable ‘TypeMolB’ [-Wunused-variable] 2024-04-26T11:20:32,669 7046 | int TypeMolA,TypeMolB; 2024-04-26T11:20:32,669 | ^~~~~~~~ 2024-04-26T11:20:32,673 src/framework_energy.c:7043:13: warning: unused variable ‘typeB’ [-Wunused-variable] 2024-04-26T11:20:32,673 7043 | int typeA,typeB; 2024-04-26T11:20:32,673 | ^~~~~ 2024-04-26T11:20:32,677 src/framework_energy.c:7043:7: warning: unused variable ‘typeA’ [-Wunused-variable] 2024-04-26T11:20:32,677 7043 | int typeA,typeB; 2024-04-26T11:20:32,677 | ^~~~~ 2024-04-26T11:20:32,683 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateChargeChargeEnergyDifferenceNewRXCM’: 2024-04-26T11:20:32,687 src/framework_energy.c:7171:7: warning: variable ‘RXMCMoleculeNumbers’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,687 7171 | int RXMCMoleculeNumbers[256]; 2024-04-26T11:20:32,687 | ^~~~~~~~~~~~~~~~~~~ 2024-04-26T11:20:32,691 src/framework_energy.c:7169:8: warning: unused variable ‘scalingB_new’ [-Wunused-variable] 2024-04-26T11:20:32,691 7169 | REAL scalingB_new; 2024-04-26T11:20:32,691 | ^~~~~~~~~~~~ 2024-04-26T11:20:32,695 src/framework_energy.c:7168:21: warning: unused variable ‘scalingB’ [-Wunused-variable] 2024-04-26T11:20:32,695 7168 | REAL scalingA_new,scalingB; 2024-04-26T11:20:32,696 | ^~~~~~~~ 2024-04-26T11:20:32,699 src/framework_energy.c:7165:16: warning: unused variable ‘TypeMolB’ [-Wunused-variable] 2024-04-26T11:20:32,700 7165 | int TypeMolA,TypeMolB; 2024-04-26T11:20:32,700 | ^~~~~~~~ 2024-04-26T11:20:32,704 src/framework_energy.c:7164:13: warning: unused variable ‘typeB’ [-Wunused-variable] 2024-04-26T11:20:32,704 7164 | int typeA,typeB; 2024-04-26T11:20:32,704 | ^~~~~ 2024-04-26T11:20:32,708 src/framework_energy.c:7164:7: warning: unused variable ‘typeA’ [-Wunused-variable] 2024-04-26T11:20:32,708 7164 | int typeA,typeB; 2024-04-26T11:20:32,708 | ^~~~~ 2024-04-26T11:20:32,712 src/framework_energy.c:7163:14: warning: unused variable ‘indexB’ [-Wunused-variable] 2024-04-26T11:20:32,712 7163 | int indexA,indexB; 2024-04-26T11:20:32,712 | ^~~~~~ 2024-04-26T11:20:32,716 src/framework_energy.c:7163:7: warning: unused variable ‘indexA’ [-Wunused-variable] 2024-04-26T11:20:32,716 7163 | int indexA,indexB; 2024-04-26T11:20:32,717 | ^~~~~~ 2024-04-26T11:20:32,717 src/framework_energy.c: In function ‘CalculateFrameworkElectrostaticPotential’: 2024-04-26T11:20:32,721 src/framework_energy.c:7249:9: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:32,721 7249 | int i,typeB,f; 2024-04-26T11:20:32,721 | ^~~~~ 2024-04-26T11:20:32,873 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateVDWEnergyDifferenceRXCM’: 2024-04-26T11:20:32,877 src/framework_energy.c:6952:1: warning: control reaches end of non-void function [-Wreturn-type] 2024-04-26T11:20:32,877 6952 | } 2024-04-26T11:20:32,877 | ^ 2024-04-26T11:20:32,879 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateVDWEnergyDifferenceNewRXCM’: 2024-04-26T11:20:32,882 src/framework_energy.c:7038:1: warning: control reaches end of non-void function [-Wreturn-type] 2024-04-26T11:20:32,882 7038 | } 2024-04-26T11:20:32,883 | ^ 2024-04-26T11:20:32,885 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateChargeChargeEnergyDifferenceRXCM’: 2024-04-26T11:20:32,888 src/framework_energy.c:7158:1: warning: control reaches end of non-void function [-Wreturn-type] 2024-04-26T11:20:32,888 7158 | } 2024-04-26T11:20:32,889 | ^ 2024-04-26T11:20:32,890 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateChargeChargeEnergyDifferenceNewRXCM’: 2024-04-26T11:20:32,893 src/framework_energy.c:7244:1: warning: control reaches end of non-void function [-Wreturn-type] 2024-04-26T11:20:32,894 7244 | } 2024-04-26T11:20:32,894 | ^ 2024-04-26T11:20:39,728 src/framework_energy.c: In function ‘CalculateEnergyDifferenceFrameworkMoveCharge’: 2024-04-26T11:20:39,730 src/framework_energy.c:3930:58: warning: ‘r’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:20:39,730 3930 | UHostChargeChargeRealDelta[CurrentSystem]+=PotentialValueCoulombic(chargeA,chargeB,r); 2024-04-26T11:20:39,731 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:20:40,305 src/framework_energy.c: In function ‘CalculateFrameworkEnergyDifferenceShiftedFramework’: 2024-04-26T11:20:40,307 src/framework_energy.c:4222:56: warning: ‘r’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:20:40,307 4222 | UHostChargeChargeRealDelta[CurrentSystem]+=PotentialValueCoulombic(chargeA,chargeB,r); 2024-04-26T11:20:40,307 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:20:41,175 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateReplicaChargeChargeEnergy’: 2024-04-26T11:20:41,177 src/framework_energy.c:4720:24: warning: ‘r’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:20:41,177 4720 | energy=PotentialValueCoulombic(chargeA,chargeB,r); 2024-04-26T11:20:41,177 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:20:41,284 src/framework_energy.c: In function ‘CalculateFrameworkCationReplicaChargeChargeEnergy’: 2024-04-26T11:20:41,286 src/framework_energy.c:4781:24: warning: ‘r’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:20:41,286 4781 | energy=PotentialValueCoulombic(chargeA,chargeB,r); 2024-04-26T11:20:41,287 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:20:44,326 src/framework_energy.c: In function ‘CalculateFrameworkAdsorbateBondDipoleBondDipoleEnergyDifference’: 2024-04-26T11:20:44,329 src/framework_energy.c:6400:8: warning: ‘r’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:20:44,329 6400 | REAL r; 2024-04-26T11:20:44,329 | ^ 2024-04-26T11:20:44,333 src/framework_energy.c:6494:30: warning: ‘posA_old.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:20:44,333 6494 | dr.z=posA_old.z-(posB.z+ReplicaShift[ncell].z); 2024-04-26T11:20:44,333 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:20:44,337 src/framework_energy.c:6493:30: warning: ‘posA_old.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:20:44,337 6493 | dr.y=posA_old.y-(posB.y+ReplicaShift[ncell].y); 2024-04-26T11:20:44,337 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:20:44,341 src/framework_energy.c:6492:30: warning: ‘posA_old.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:20:44,341 6492 | dr.x=posA_old.x-(posB.x+ReplicaShift[ncell].x); 2024-04-26T11:20:44,341 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:20:44,345 src/framework_energy.c:6484:30: warning: ‘posA_new.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:20:44,345 6484 | dr.y=posA_new.y-(posB.y+ReplicaShift[ncell].y); 2024-04-26T11:20:44,345 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:20:44,349 src/framework_energy.c:6483:30: warning: ‘posA_new.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:20:44,349 6483 | dr.x=posA_new.x-(posB.x+ReplicaShift[ncell].x); 2024-04-26T11:20:44,349 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:20:44,352 src/framework_energy.c:6485:30: warning: ‘posA_new.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:20:44,352 6485 | dr.z=posA_new.z-(posB.z+ReplicaShift[ncell].z); 2024-04-26T11:20:44,352 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:20:44,714 src/framework_energy.c: In function ‘CalculateFrameworkCationBondDipoleBondDipoleEnergyDifference’: 2024-04-26T11:20:44,717 src/framework_energy.c:6631:8: warning: ‘r’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:20:44,717 6631 | REAL r; 2024-04-26T11:20:44,718 | ^ 2024-04-26T11:20:44,722 src/framework_energy.c:6725:30: warning: ‘posA_old.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:20:44,722 6725 | dr.z=posA_old.z-(posB.z+ReplicaShift[ncell].z); 2024-04-26T11:20:44,722 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:20:44,726 src/framework_energy.c:6724:30: warning: ‘posA_old.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:20:44,726 6724 | dr.y=posA_old.y-(posB.y+ReplicaShift[ncell].y); 2024-04-26T11:20:44,726 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:20:44,730 src/framework_energy.c:6723:30: warning: ‘posA_old.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:20:44,730 6723 | dr.x=posA_old.x-(posB.x+ReplicaShift[ncell].x); 2024-04-26T11:20:44,730 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:20:44,734 src/framework_energy.c:6715:30: warning: ‘posA_new.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:20:44,734 6715 | dr.y=posA_new.y-(posB.y+ReplicaShift[ncell].y); 2024-04-26T11:20:44,734 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:20:44,738 src/framework_energy.c:6714:30: warning: ‘posA_new.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:20:44,738 6714 | dr.x=posA_new.x-(posB.x+ReplicaShift[ncell].x); 2024-04-26T11:20:44,738 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:20:44,741 src/framework_energy.c:6716:30: warning: ‘posA_new.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:20:44,741 6716 | dr.z=posA_new.z-(posB.z+ReplicaShift[ncell].z); 2024-04-26T11:20:44,741 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:20:46,711 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/framework_force.c -o build/temp.linux-armv7l-cpython-39/src/framework_force.o 2024-04-26T11:20:46,878 src/framework_force.c: In function ‘CalculateFrameworkBendForce’: 2024-04-26T11:20:46,880 src/framework_force.c:531:23: warning: variable ‘SinTheta’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:46,880 531 | REAL CosTheta,Theta,SinTheta; 2024-04-26T11:20:46,881 | ^~~~~~~~ 2024-04-26T11:20:46,886 src/framework_force.c: In function ‘CalculateFrameworkInversionBendForce’: 2024-04-26T11:20:46,886 src/framework_force.c:894:18: warning: variable ‘rrbc’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:46,886 894 | REAL rrab,rab2,rrbc,rbc2,rbd2,rad2,rac2,dot; 2024-04-26T11:20:46,886 | ^~~~ 2024-04-26T11:20:46,911 src/framework_force.c: In function ‘CalculateFrameworkBondBendForce’: 2024-04-26T11:20:46,911 src/framework_force.c:1883:39: warning: variable ‘vterm’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:46,911 1883 | REAL *parms,gamma,gamsa,gamsc,pterm,vterm; 2024-04-26T11:20:46,912 | ^~~~~ 2024-04-26T11:20:46,917 src/framework_force.c: In function ‘CalculateFrameworkBendBendForce’: 2024-04-26T11:20:46,918 src/framework_force.c:2085:13: warning: variable ‘fb’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:46,918 2085 | VECTOR fa,fb,fc,fd; 2024-04-26T11:20:46,918 | ^~ 2024-04-26T11:20:46,957 src/framework_force.c: In function ‘CalculateFrameworkIntraChargeChargeForce’: 2024-04-26T11:20:46,958 src/framework_force.c:3447:8: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:46,958 3447 | REAL alpha; 2024-04-26T11:20:46,959 | ^~~~~ 2024-04-26T11:20:46,960 src/framework_force.c:3441:17: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:46,960 3441 | int i,j,typeA,typeB; 2024-04-26T11:20:46,960 | ^~~~~ 2024-04-26T11:20:46,962 src/framework_force.c:3441:11: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:46,962 3441 | int i,j,typeA,typeB; 2024-04-26T11:20:46,962 | ^~~~~ 2024-04-26T11:20:46,997 src/framework_force.c: In function ‘CalculateFrameworkAdsorbateChargeChargeForce’: 2024-04-26T11:20:47,000 src/framework_force.c:4788:7: warning: variable ‘TypeMolA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:47,000 4788 | int TypeMolA; 2024-04-26T11:20:47,000 | ^~~~~~~~ 2024-04-26T11:20:47,002 src/framework_force.c:4783:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:47,002 4783 | int typeA,typeB; 2024-04-26T11:20:47,003 | ^~~~~ 2024-04-26T11:20:47,005 src/framework_force.c: In function ‘CalculateFrameworkCationChargeChargeForce’: 2024-04-26T11:20:47,008 src/framework_force.c:4879:7: warning: variable ‘TypeMolA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:47,008 4879 | int TypeMolA; 2024-04-26T11:20:47,008 | ^~~~~~~~ 2024-04-26T11:20:47,010 src/framework_force.c:4874:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:47,010 4874 | int typeA,typeB; 2024-04-26T11:20:47,010 | ^~~~~ 2024-04-26T11:20:47,034 src/framework_force.c: In function ‘CalculateFrameworkChargeChargeElectricFieldMC’: 2024-04-26T11:20:47,037 src/framework_force.c:5613:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:47,037 5613 | int typeA,typeB; 2024-04-26T11:20:47,037 | ^~~~~ 2024-04-26T11:20:47,039 src/framework_force.c: In function ‘CalculateFrameworkAdsorbateElectricFieldFromInducedDipole’: 2024-04-26T11:20:47,042 src/framework_force.c:5770:7: warning: variable ‘TypeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:47,043 5770 | int TypeB; 2024-04-26T11:20:47,043 | ^~~~~ 2024-04-26T11:20:47,045 src/framework_force.c: In function ‘CalculateFrameworkCationElectricFieldFromInducedDipole’: 2024-04-26T11:20:47,048 src/framework_force.c:5824:7: warning: variable ‘TypeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:47,048 5824 | int TypeB; 2024-04-26T11:20:47,048 | ^~~~~ 2024-04-26T11:20:47,052 src/framework_force.c: In function ‘CalculateFrameworkMoleculeElectricFieldFromInducedDipoleMC’: 2024-04-26T11:20:47,055 src/framework_force.c:5878:7: warning: variable ‘TypeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:47,055 5878 | int TypeB; 2024-04-26T11:20:47,055 | ^~~~~ 2024-04-26T11:20:47,058 src/framework_force.c: In function ‘CalculateFrameworkAdsorbateChargeInducedDipoleForce’: 2024-04-26T11:20:47,061 src/framework_force.c:6015:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:47,061 6015 | REAL r,rr,chargeB; 2024-04-26T11:20:47,062 | ^ 2024-04-26T11:20:47,065 src/framework_force.c:6013:12: warning: variable ‘TypeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:47,065 6013 | int Type,TypeA; 2024-04-26T11:20:47,065 | ^~~~~ 2024-04-26T11:20:47,068 src/framework_force.c: In function ‘CalculateFrameworkAdsorbateInducedDipoleInducedDipoleForce’: 2024-04-26T11:20:47,071 src/framework_force.c:6115:7: warning: variable ‘TypeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:47,071 6115 | int TypeB; 2024-04-26T11:20:47,072 | ^~~~~ 2024-04-26T11:20:47,087 src/framework_force.c: In function ‘CalculateFrameworkIntraReplicaChargeChargeForce’: 2024-04-26T11:20:47,090 src/framework_force.c:6370:8: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:47,090 6370 | REAL alpha,r; 2024-04-26T11:20:47,091 | ^~~~~ 2024-04-26T11:20:47,094 src/framework_force.c:6363:17: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:47,094 6363 | int i,j,typeA,typeB,start; 2024-04-26T11:20:47,094 | ^~~~~ 2024-04-26T11:20:47,097 src/framework_force.c:6363:11: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:47,097 6363 | int i,j,typeA,typeB,start; 2024-04-26T11:20:47,097 | ^~~~~ 2024-04-26T11:20:47,100 src/framework_force.c: In function ‘CalculateFrameworkAdsorbateReplicaVDWForce’: 2024-04-26T11:20:47,103 src/framework_force.c:6545:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:47,103 6545 | int typeA,typeB,type; 2024-04-26T11:20:47,103 | ^~~~ 2024-04-26T11:20:47,106 src/framework_force.c: In function ‘CalculateFrameworkCationReplicaVDWForce’: 2024-04-26T11:20:47,109 src/framework_force.c:6664:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:47,109 6664 | int typeA,typeB,type; 2024-04-26T11:20:47,109 | ^~~~ 2024-04-26T11:20:47,113 src/framework_force.c: In function ‘CalculateFrameworkAdsorbateReplicaChargeChargeForce’: 2024-04-26T11:20:47,116 src/framework_force.c:6783:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:47,117 6783 | int typeA,typeB,type; 2024-04-26T11:20:47,117 | ^~~~ 2024-04-26T11:20:47,120 src/framework_force.c:6783:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:47,120 6783 | int typeA,typeB,type; 2024-04-26T11:20:47,120 | ^~~~~ 2024-04-26T11:20:47,124 src/framework_force.c: In function ‘CalculateFrameworkCationReplicaChargeChargeForce’: 2024-04-26T11:20:47,128 src/framework_force.c:6905:19: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:47,128 6905 | int typeA,typeB,type; 2024-04-26T11:20:47,128 | ^~~~ 2024-04-26T11:20:47,132 src/framework_force.c:6905:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:20:47,132 6905 | int typeA,typeB,type; 2024-04-26T11:20:47,133 | ^~~~~ 2024-04-26T11:21:03,391 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/framework_hessian.c -o build/temp.linux-armv7l-cpython-39/src/framework_hessian.o 2024-04-26T11:21:03,629 src/framework_hessian.c: In function ‘CalculateDerivativesAtPositionReal’: 2024-04-26T11:21:03,629 src/framework_hessian.c:108:7: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:21:03,629 108 | int typeB; 2024-04-26T11:21:03,630 | ^~~~~ 2024-04-26T11:21:03,838 src/framework_hessian.c: In function ‘ComputeFrameworkAdsorbateVDWHessian’: 2024-04-26T11:21:03,840 src/framework_hessian.c:2133:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:21:03,840 2133 | REAL r,temp1,temp2,temp3; 2024-04-26T11:21:03,840 | ^ 2024-04-26T11:21:03,841 src/framework_hessian.c:2132:10: warning: variable ‘pos’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:21:03,841 2132 | VECTOR pos,comB; 2024-04-26T11:21:03,841 | ^~~ 2024-04-26T11:21:03,842 src/framework_hessian.c:2131:16: warning: variable ‘ChargeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:21:03,843 2131 | REAL ChargeA,ChargeB; 2024-04-26T11:21:03,843 | ^~~~~~~ 2024-04-26T11:21:03,844 src/framework_hessian.c:2131:8: warning: variable ‘ChargeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:21:03,844 2131 | REAL ChargeA,ChargeB; 2024-04-26T11:21:03,844 | ^~~~~~~ 2024-04-26T11:21:03,851 src/framework_hessian.c: In function ‘ComputeFrameworkAdsorbateChargeChargeHessian’: 2024-04-26T11:21:03,852 src/framework_hessian.c:2310:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:21:03,852 2310 | REAL r,temp1,temp2,temp3; 2024-04-26T11:21:03,853 | ^ 2024-04-26T11:21:03,854 src/framework_hessian.c:2301:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:21:03,854 2301 | int typeA,typeB; 2024-04-26T11:21:03,854 | ^~~~~ 2024-04-26T11:21:03,855 src/framework_hessian.c:2301:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:21:03,855 2301 | int typeA,typeB; 2024-04-26T11:21:03,856 | ^~~~~ 2024-04-26T11:21:03,865 src/framework_hessian.c: In function ‘ComputeFrameworkCationVDWHessian’: 2024-04-26T11:21:03,866 src/framework_hessian.c:2494:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:21:03,867 2494 | REAL r,temp1,temp2,temp3; 2024-04-26T11:21:03,867 | ^ 2024-04-26T11:21:03,868 src/framework_hessian.c:2493:10: warning: variable ‘pos’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:21:03,868 2493 | VECTOR pos,comB; 2024-04-26T11:21:03,868 | ^~~ 2024-04-26T11:21:03,870 src/framework_hessian.c:2492:16: warning: variable ‘ChargeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:21:03,870 2492 | REAL ChargeA,ChargeB; 2024-04-26T11:21:03,870 | ^~~~~~~ 2024-04-26T11:21:03,871 src/framework_hessian.c:2492:8: warning: variable ‘ChargeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:21:03,871 2492 | REAL ChargeA,ChargeB; 2024-04-26T11:21:03,872 | ^~~~~~~ 2024-04-26T11:21:03,879 src/framework_hessian.c: In function ‘ComputeFrameworkCationChargeChargeHessian’: 2024-04-26T11:21:03,880 src/framework_hessian.c:2669:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:21:03,881 2669 | REAL r,temp1,temp2,temp3; 2024-04-26T11:21:03,881 | ^ 2024-04-26T11:21:03,882 src/framework_hessian.c:2660:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:21:03,882 2660 | int typeA,typeB; 2024-04-26T11:21:03,882 | ^~~~~ 2024-04-26T11:21:03,884 src/framework_hessian.c:2660:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:21:03,884 2660 | int typeA,typeB; 2024-04-26T11:21:03,884 | ^~~~~ 2024-04-26T11:21:03,909 src/framework_hessian.c: In function ‘ComputeFrameworkIntraChargeChargeHessian’: 2024-04-26T11:21:03,911 src/framework_hessian.c:3011:17: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:21:03,911 3011 | int i,j,typeA,typeB,f1,f2,start; 2024-04-26T11:21:03,911 | ^~~~~ 2024-04-26T11:21:03,913 src/framework_hessian.c:3011:11: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:21:03,913 3011 | int i,j,typeA,typeB,f1,f2,start; 2024-04-26T11:21:03,913 | ^~~~~ 2024-04-26T11:21:04,365 src/framework_hessian.c: In function ‘CalculateFrameworkInversionBendForces’: 2024-04-26T11:21:04,368 src/framework_hessian.c:5520:18: warning: variable ‘rrbc’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:21:04,368 5520 | REAL rrab,rab2,rrbc,rbc2,rbd2,rad2,rac2,dot; 2024-04-26T11:21:04,368 | ^~~~ 2024-04-26T11:21:30,652 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/grids.c -o build/temp.linux-armv7l-cpython-39/src/grids.o 2024-04-26T11:21:30,819 src/grids.c: In function ‘MakeASCIGrid’: 2024-04-26T11:21:30,819 src/grids.c:295:23: warning: variable ‘TailEnergy’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:21:30,819 295 | REAL percent,teller,TailEnergy; 2024-04-26T11:21:30,819 | ^~~~~~~~~~ 2024-04-26T11:21:30,820 src/grids.c:294:21: warning: variable ‘save’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:21:30,820 294 | int i,j,k,l,typeA,save; 2024-04-26T11:21:30,820 | ^~~~ 2024-04-26T11:21:30,827 src/grids.c: In function ‘MakeGrid’: 2024-04-26T11:21:30,827 src/grids.c:427:23: warning: variable ‘TailEnergy’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:21:30,828 427 | REAL percent,teller,TailEnergy; 2024-04-26T11:21:30,828 | ^~~~~~~~~~ 2024-04-26T11:21:30,828 src/grids.c:426:15: warning: variable ‘tel2’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:21:30,828 426 | int i,j,k,l,tel2,typeA,save; 2024-04-26T11:21:30,828 | ^~~~ 2024-04-26T11:21:30,829 src/grids.c: In function ‘WriteVDWGrid’: 2024-04-26T11:21:30,829 src/grids.c:688:7: warning: variable ‘ngrid’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:21:30,830 688 | int ngrid; 2024-04-26T11:21:30,830 | ^~~~~ 2024-04-26T11:21:30,834 src/grids.c: In function ‘WriteCoulombGrid’: 2024-04-26T11:21:30,834 src/grids.c:810:15: warning: variable ‘max_size’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:21:30,834 810 | int i,j,k,m,max_size; 2024-04-26T11:21:30,834 | ^~~~~~~~ 2024-04-26T11:21:30,888 src/grids.c: In function ‘FloodFillNonRecursivePockets’: 2024-04-26T11:21:30,889 src/grids.c:1956:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:21:30,889 1956 | REAL r; 2024-04-26T11:21:30,889 | ^ 2024-04-26T11:21:31,326 src/grids.c: In function ‘ReadCoulombGrid.part.0’: 2024-04-26T11:21:31,327 src/grids.c:895:40: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2024-04-26T11:21:31,327 895 | sprintf(buffer,"%s/share/raspa/grids/%s",RASPA_DIRECTORY,ForceField); 2024-04-26T11:21:31,327 | ^~ ~~~~~~~~~~ 2024-04-26T11:21:31,327 src/grids.c:895:3: note: ‘sprintf’ output 20 or more bytes (assuming 275) into a destination of size 256 2024-04-26T11:21:31,327 895 | sprintf(buffer,"%s/share/raspa/grids/%s",RASPA_DIRECTORY,ForceField); 2024-04-26T11:21:31,327 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,328 src/grids.c:896:40: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2024-04-26T11:21:31,328 896 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%dx%dx%d/%s_%s_%s.grid", 2024-04-26T11:21:31,328 | ^~ 2024-04-26T11:21:31,328 897 | RASPA_DIRECTORY, 2024-04-26T11:21:31,328 898 | ForceField, 2024-04-26T11:21:31,329 | ~~~~~~~~~~ 2024-04-26T11:21:31,329 src/grids.c:896:18: note: assuming directive output of 8 bytes 2024-04-26T11:21:31,329 896 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%dx%dx%d/%s_%s_%s.grid", 2024-04-26T11:21:31,329 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,329 src/grids.c:896:3: note: ‘sprintf’ output 53 or more bytes (assuming 313) into a destination of size 256 2024-04-26T11:21:31,329 896 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%dx%dx%d/%s_%s_%s.grid", 2024-04-26T11:21:31,329 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,330 897 | RASPA_DIRECTORY, 2024-04-26T11:21:31,330 | ~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,330 898 | ForceField, 2024-04-26T11:21:31,330 | ~~~~~~~~~~~ 2024-04-26T11:21:31,330 899 | Framework[CurrentSystem].Name[0], 2024-04-26T11:21:31,330 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,330 900 | (double)SpacingCoulombGrid, 2024-04-26T11:21:31,330 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,330 901 | NumberOfUnitCells[CurrentSystem].x,NumberOfUnitCells[CurrentSystem].y,NumberOfUnitCells[CurrentSystem].z, 2024-04-26T11:21:31,331 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,331 902 | Framework[CurrentSystem].Name[0], 2024-04-26T11:21:31,331 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,331 903 | "Electrostatics", 2024-04-26T11:21:31,331 | ~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,331 904 | name); 2024-04-26T11:21:31,331 | ~~~~~ 2024-04-26T11:21:31,677 src/grids.c: In function ‘WriteVDWGrid’: 2024-04-26T11:21:31,678 src/grids.c:702:40: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2024-04-26T11:21:31,678 702 | sprintf(buffer,"%s/share/raspa/grids/%s",RASPA_DIRECTORY,ForceField); 2024-04-26T11:21:31,678 | ^~ ~~~~~~~~~~ 2024-04-26T11:21:31,678 src/grids.c:702:3: note: ‘sprintf’ output 20 or more bytes (assuming 275) into a destination of size 256 2024-04-26T11:21:31,678 702 | sprintf(buffer,"%s/share/raspa/grids/%s",RASPA_DIRECTORY,ForceField); 2024-04-26T11:21:31,679 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,679 src/grids.c:704:40: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2024-04-26T11:21:31,679 704 | sprintf(buffer,"%s/share/raspa/grids/%s/%s",RASPA_DIRECTORY,ForceField,Framework[CurrentSystem].Name[0]); 2024-04-26T11:21:31,679 | ^~ ~~~~~~~~~~ 2024-04-26T11:21:31,679 src/grids.c:704:3: note: ‘sprintf’ output 21 or more bytes (assuming 276) into a destination of size 256 2024-04-26T11:21:31,679 704 | sprintf(buffer,"%s/share/raspa/grids/%s/%s",RASPA_DIRECTORY,ForceField,Framework[CurrentSystem].Name[0]); 2024-04-26T11:21:31,679 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,679 src/grids.c:706:40: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2024-04-26T11:21:31,680 706 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf",RASPA_DIRECTORY,ForceField, 2024-04-26T11:21:31,680 | ^~ ~~~~~~~~~~ 2024-04-26T11:21:31,680 src/grids.c:706:18: note: assuming directive output of 8 bytes 2024-04-26T11:21:31,680 706 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf",RASPA_DIRECTORY,ForceField, 2024-04-26T11:21:31,680 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,680 src/grids.c:706:3: note: ‘sprintf’ output 25 or more bytes (assuming 285) into a destination of size 256 2024-04-26T11:21:31,680 706 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf",RASPA_DIRECTORY,ForceField, 2024-04-26T11:21:31,681 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,681 707 | Framework[CurrentSystem].Name[0],(double)SpacingVDWGrid); 2024-04-26T11:21:31,681 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,681 src/grids.c:709:40: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2024-04-26T11:21:31,681 709 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%s_%s_%s.grid", 2024-04-26T11:21:31,681 | ^~ 2024-04-26T11:21:31,681 710 | RASPA_DIRECTORY, 2024-04-26T11:21:31,681 711 | ForceField, 2024-04-26T11:21:31,681 | ~~~~~~~~~~ 2024-04-26T11:21:31,682 src/grids.c:709:18: note: assuming directive output of 8 bytes 2024-04-26T11:21:31,682 709 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%s_%s_%s.grid", 2024-04-26T11:21:31,682 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,682 src/grids.c:709:3: note: ‘sprintf’ output 40 or more bytes (assuming 333) into a destination of size 256 2024-04-26T11:21:31,682 709 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%s_%s_%s.grid", 2024-04-26T11:21:31,682 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,682 710 | RASPA_DIRECTORY, 2024-04-26T11:21:31,683 | ~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,683 711 | ForceField, 2024-04-26T11:21:31,683 | ~~~~~~~~~~~ 2024-04-26T11:21:31,683 712 | Framework[CurrentSystem].Name[0], 2024-04-26T11:21:31,683 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,683 713 | (double)SpacingVDWGrid, 2024-04-26T11:21:31,683 | ~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,683 714 | Framework[CurrentSystem].Name[0], 2024-04-26T11:21:31,684 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,684 715 | PseudoAtoms[l].Name, 2024-04-26T11:21:31,684 | ~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,684 716 | ShiftPotentials?"shifted":"truncated"); 2024-04-26T11:21:31,684 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,772 src/grids.c: In function ‘ReadVDWGrid’: 2024-04-26T11:21:31,773 src/grids.c:754:42: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2024-04-26T11:21:31,773 754 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%s_%s_%s.grid", 2024-04-26T11:21:31,773 | ^~ 2024-04-26T11:21:31,773 755 | RASPA_DIRECTORY, 2024-04-26T11:21:31,773 756 | ForceField, 2024-04-26T11:21:31,774 | ~~~~~~~~~~ 2024-04-26T11:21:31,774 src/grids.c:754:20: note: assuming directive output of 8 bytes 2024-04-26T11:21:31,774 754 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%s_%s_%s.grid", 2024-04-26T11:21:31,774 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,774 src/grids.c:754:5: note: ‘sprintf’ output 40 or more bytes (assuming 333) into a destination of size 256 2024-04-26T11:21:31,774 754 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%s_%s_%s.grid", 2024-04-26T11:21:31,775 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,775 755 | RASPA_DIRECTORY, 2024-04-26T11:21:31,775 | ~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,775 756 | ForceField, 2024-04-26T11:21:31,775 | ~~~~~~~~~~~ 2024-04-26T11:21:31,775 757 | Framework[CurrentSystem].Name[0], 2024-04-26T11:21:31,775 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,775 758 | (double)SpacingVDWGrid, 2024-04-26T11:21:31,775 | ~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,776 759 | Framework[CurrentSystem].Name[0], 2024-04-26T11:21:31,776 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,776 760 | PseudoAtoms[GridTypeList[l]].Name, 2024-04-26T11:21:31,776 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,776 761 | ShiftPotentials?"shifted":"truncated"); 2024-04-26T11:21:31,776 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,882 src/grids.c: In function ‘WriteCoulombGrid’: 2024-04-26T11:21:31,883 src/grids.c:828:40: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2024-04-26T11:21:31,883 828 | sprintf(buffer,"%s/share/raspa/grids/%s",RASPA_DIRECTORY,ForceField); 2024-04-26T11:21:31,883 | ^~ ~~~~~~~~~~ 2024-04-26T11:21:31,883 src/grids.c:828:3: note: ‘sprintf’ output 20 or more bytes (assuming 275) into a destination of size 256 2024-04-26T11:21:31,883 828 | sprintf(buffer,"%s/share/raspa/grids/%s",RASPA_DIRECTORY,ForceField); 2024-04-26T11:21:31,883 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,884 src/grids.c:830:40: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2024-04-26T11:21:31,884 830 | sprintf(buffer,"%s/share/raspa/grids/%s/%s",RASPA_DIRECTORY,ForceField,Framework[CurrentSystem].Name[0]); 2024-04-26T11:21:31,884 | ^~ ~~~~~~~~~~ 2024-04-26T11:21:31,884 src/grids.c:830:3: note: ‘sprintf’ output 21 or more bytes (assuming 276) into a destination of size 256 2024-04-26T11:21:31,884 830 | sprintf(buffer,"%s/share/raspa/grids/%s/%s",RASPA_DIRECTORY,ForceField,Framework[CurrentSystem].Name[0]); 2024-04-26T11:21:31,884 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,885 src/grids.c:832:40: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2024-04-26T11:21:31,885 832 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf",RASPA_DIRECTORY,ForceField, 2024-04-26T11:21:31,885 | ^~ ~~~~~~~~~~ 2024-04-26T11:21:31,885 src/grids.c:832:18: note: assuming directive output of 8 bytes 2024-04-26T11:21:31,885 832 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf",RASPA_DIRECTORY,ForceField, 2024-04-26T11:21:31,885 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,886 src/grids.c:832:3: note: ‘sprintf’ output 25 or more bytes (assuming 285) into a destination of size 256 2024-04-26T11:21:31,886 832 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf",RASPA_DIRECTORY,ForceField, 2024-04-26T11:21:31,886 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,886 833 | Framework[CurrentSystem].Name[0],(double)SpacingCoulombGrid); 2024-04-26T11:21:31,886 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,886 src/grids.c:835:40: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2024-04-26T11:21:31,886 835 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%dx%dx%d",RASPA_DIRECTORY,ForceField, 2024-04-26T11:21:31,886 | ^~ ~~~~~~~~~~ 2024-04-26T11:21:31,887 src/grids.c:835:18: note: assuming directive output of 8 bytes 2024-04-26T11:21:31,887 835 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%dx%dx%d",RASPA_DIRECTORY,ForceField, 2024-04-26T11:21:31,887 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,887 src/grids.c:835:3: note: ‘sprintf’ output 31 or more bytes (assuming 291) into a destination of size 256 2024-04-26T11:21:31,887 835 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%dx%dx%d",RASPA_DIRECTORY,ForceField, 2024-04-26T11:21:31,887 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,887 836 | Framework[CurrentSystem].Name[0],(double)SpacingCoulombGrid, 2024-04-26T11:21:31,887 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,888 837 | NumberOfUnitCells[CurrentSystem].x,NumberOfUnitCells[CurrentSystem].y,NumberOfUnitCells[CurrentSystem].z); 2024-04-26T11:21:31,888 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,888 src/grids.c:839:40: warning: ‘%s’ directive writing up to 255 bytes into a region of size 237 [-Wformat-overflow=] 2024-04-26T11:21:31,888 839 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%dx%dx%d/%s_%s_%s.grid", 2024-04-26T11:21:31,888 | ^~ 2024-04-26T11:21:31,888 840 | RASPA_DIRECTORY, 2024-04-26T11:21:31,888 841 | ForceField, 2024-04-26T11:21:31,888 | ~~~~~~~~~~ 2024-04-26T11:21:31,889 src/grids.c:839:18: note: assuming directive output of 8 bytes 2024-04-26T11:21:31,889 839 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%dx%dx%d/%s_%s_%s.grid", 2024-04-26T11:21:31,889 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,889 src/grids.c:839:3: note: ‘sprintf’ output 53 or more bytes (assuming 313) into a destination of size 256 2024-04-26T11:21:31,889 839 | sprintf(buffer,"%s/share/raspa/grids/%s/%s/%lf/%dx%dx%d/%s_%s_%s.grid", 2024-04-26T11:21:31,889 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,889 840 | RASPA_DIRECTORY, 2024-04-26T11:21:31,889 | ~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,889 841 | ForceField, 2024-04-26T11:21:31,890 | ~~~~~~~~~~~ 2024-04-26T11:21:31,890 842 | Framework[CurrentSystem].Name[0], 2024-04-26T11:21:31,890 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,890 843 | (double)SpacingCoulombGrid, 2024-04-26T11:21:31,890 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,890 844 | NumberOfUnitCells[CurrentSystem].x,NumberOfUnitCells[CurrentSystem].y,NumberOfUnitCells[CurrentSystem].z, 2024-04-26T11:21:31,890 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,891 845 | Framework[CurrentSystem].Name[0], 2024-04-26T11:21:31,891 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,891 846 | "Electrostatics", 2024-04-26T11:21:31,891 | ~~~~~~~~~~~~~~~~~ 2024-04-26T11:21:31,891 847 | name); 2024-04-26T11:21:31,891 | ~~~~~ 2024-04-26T11:21:34,992 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/input.c -o build/temp.linux-armv7l-cpython-39/src/input.o 2024-04-26T11:21:35,991 src/input.c: In function ‘ReadInput’: 2024-04-26T11:21:35,992 src/input.c:214:7: warning: unused variable ‘linesize’ [-Wunused-variable] 2024-04-26T11:21:35,992 214 | int linesize = 0; 2024-04-26T11:21:35,992 | ^~~~~~~~ 2024-04-26T11:21:36,011 src/input.c: In function ‘ReadRestartFile’: 2024-04-26T11:21:36,017 src/input.c:8322:7: warning: variable ‘extra_framework_boolean’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:21:36,017 8322 | int extra_framework_boolean; 2024-04-26T11:21:36,017 | ^~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:22:43,533 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/integrate.c -o build/temp.linux-armv7l-cpython-39/src/integrate.o 2024-04-26T11:22:43,922 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/integration.c -o build/temp.linux-armv7l-cpython-39/src/integration.o 2024-04-26T11:22:44,120 src/integration.c: In function ‘IntegrationLeapFrogAtomicVelocities’: 2024-04-26T11:22:44,122 src/integration.c:2088:7: warning: variable ‘Type’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:22:44,122 2088 | int Type; 2024-04-26T11:22:44,122 | ^~~~ 2024-04-26T11:22:44,127 src/integration.c: In function ‘IntegrationLeapFrogAtomicPositionsAndQuaternions’: 2024-04-26T11:22:44,128 src/integration.c:2138:8: warning: variable ‘Mass’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:22:44,128 2138 | REAL Mass,eps,rnorm; 2024-04-26T11:22:44,128 | ^~~~ 2024-04-26T11:22:49,683 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/inter_born.c -o build/temp.linux-armv7l-cpython-39/src/inter_born.o 2024-04-26T11:22:49,868 src/inter_born.c: In function ‘ComputeInterChargeChargeBornTerm’: 2024-04-26T11:22:49,869 src/inter_born.c:437:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:22:49,869 437 | int typeA,typeB; 2024-04-26T11:22:49,869 | ^~~~~ 2024-04-26T11:22:49,870 src/inter_born.c:437:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:22:49,871 437 | int typeA,typeB; 2024-04-26T11:22:49,871 | ^~~~~ 2024-04-26T11:22:54,301 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/inter_energy.c -o build/temp.linux-armv7l-cpython-39/src/inter_energy.o 2024-04-26T11:22:54,449 src/inter_energy.c: In function ‘CalculateInterChargeChargeSelfEnergyCorrectionAdsorbateOld’: 2024-04-26T11:22:54,449 src/inter_energy.c:220:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:22:54,450 220 | int typeA,typeB; 2024-04-26T11:22:54,450 | ^~~~~ 2024-04-26T11:22:54,450 src/inter_energy.c:220:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:22:54,450 220 | int typeA,typeB; 2024-04-26T11:22:54,450 | ^~~~~ 2024-04-26T11:22:54,450 src/inter_energy.c: In function ‘CalculateInterChargeChargeSelfEnergyCorrectionCationOld’: 2024-04-26T11:22:54,450 src/inter_energy.c:268:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:22:54,451 268 | int typeA,typeB; 2024-04-26T11:22:54,451 | ^~~~~ 2024-04-26T11:22:54,451 src/inter_energy.c:268:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:22:54,451 268 | int typeA,typeB; 2024-04-26T11:22:54,451 | ^~~~~ 2024-04-26T11:22:54,452 src/inter_energy.c: In function ‘CalculateInterVDWEnergyAdsorbateAtPosition’: 2024-04-26T11:22:54,452 src/inter_energy.c:320:7: warning: variable ‘TypeMolB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:22:54,452 320 | int TypeMolB; 2024-04-26T11:22:54,452 | ^~~~~~~~ 2024-04-26T11:22:54,455 src/inter_energy.c: In function ‘CalculateInterChargeEnergyAdsorbateAtPosition’: 2024-04-26T11:22:54,455 src/inter_energy.c:388:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:22:54,455 388 | int i,j,l,typeB,B1,B2,TypeB; 2024-04-26T11:22:54,456 | ^~~~~ 2024-04-26T11:22:54,457 src/inter_energy.c: In function ‘CalculateInterVDWEnergyCationAtPosition’: 2024-04-26T11:22:54,457 src/inter_energy.c:533:7: warning: variable ‘TypeMolB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:22:54,457 533 | int TypeMolB; 2024-04-26T11:22:54,457 | ^~~~~~~~ 2024-04-26T11:22:54,460 src/inter_energy.c: In function ‘CalculateInterChargeEnergyCationAtPosition’: 2024-04-26T11:22:54,460 src/inter_energy.c:598:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:22:54,460 598 | int i,j,l,typeB,B1,B2,TypeB; 2024-04-26T11:22:54,460 | ^~~~~ 2024-04-26T11:22:54,466 src/inter_energy.c: In function ‘CalculateInterBondDipoleEnergyCationAtPosition’: 2024-04-26T11:22:54,466 src/inter_energy.c:881:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:22:54,466 881 | int TypeB,typeB; 2024-04-26T11:22:54,467 | ^~~~~ 2024-04-26T11:22:54,471 src/inter_energy.c: In function ‘CalculateTotalInterVDWEnergy’: 2024-04-26T11:22:54,472 src/inter_energy.c:1026:19: warning: variable ‘TypeMolB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:22:54,472 1026 | int typeA,typeB,TypeMolB; 2024-04-26T11:22:54,472 | ^~~~~~~~ 2024-04-26T11:22:54,478 src/inter_energy.c: In function ‘CalculateTotalInterChargeChargeCoulombEnergy’: 2024-04-26T11:22:54,479 src/inter_energy.c:1272:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:22:54,479 1272 | REAL r,r2; 2024-04-26T11:22:54,479 | ^ 2024-04-26T11:22:54,480 src/inter_energy.c:1271:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:22:54,480 1271 | int typeA,typeB; 2024-04-26T11:22:54,480 | ^~~~~ 2024-04-26T11:22:54,480 src/inter_energy.c:1271:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:22:54,481 1271 | int typeA,typeB; 2024-04-26T11:22:54,481 | ^~~~~ 2024-04-26T11:22:54,489 src/inter_energy.c: In function ‘CalculateTotalInterChargeBondDipoleCoulombEnergy’: 2024-04-26T11:22:54,489 src/inter_energy.c:1604:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:22:54,490 1604 | REAL Bt0,Bt1,Bt2; 2024-04-26T11:22:54,490 | ^~~ 2024-04-26T11:22:54,504 src/inter_energy.c: In function ‘CalculateInterVDWEnergyDifferenceAdsorbateNewRXCM’: 2024-04-26T11:22:54,505 src/inter_energy.c:2324:7: warning: variable ‘RXMCMoleculeNumbers’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:22:54,506 2324 | int RXMCMoleculeNumbers[256]; 2024-04-26T11:22:54,506 | ^~~~~~~~~~~~~~~~~~~ 2024-04-26T11:22:54,507 src/inter_energy.c:2316:14: warning: unused variable ‘indexB’ [-Wunused-variable] 2024-04-26T11:22:54,507 2316 | int indexA,indexB; 2024-04-26T11:22:54,507 | ^~~~~~ 2024-04-26T11:22:54,508 src/inter_energy.c:2316:7: warning: unused variable ‘indexA’ [-Wunused-variable] 2024-04-26T11:22:54,508 2316 | int indexA,indexB; 2024-04-26T11:22:54,508 | ^~~~~~ 2024-04-26T11:22:54,517 src/inter_energy.c: In function ‘CalculateInterVDWEnergyDifferenceAdsorbateRXCM’: 2024-04-26T11:22:54,519 src/inter_energy.c:2479:7: warning: unused variable ‘ncell’ [-Wunused-variable] 2024-04-26T11:22:54,519 2479 | int ncell; 2024-04-26T11:22:54,519 | ^~~~~ 2024-04-26T11:22:54,524 src/inter_energy.c: In function ‘CalculateInterChargeChargeEnergyDifferenceAdsorbateNewRXCM’: 2024-04-26T11:22:54,525 src/inter_energy.c:2689:7: warning: variable ‘RXMCMoleculeNumbers’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:22:54,526 2689 | int RXMCMoleculeNumbers[256]; 2024-04-26T11:22:54,526 | ^~~~~~~~~~~~~~~~~~~ 2024-04-26T11:22:54,527 src/inter_energy.c:2682:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:22:54,527 2682 | int typeA,typeB; 2024-04-26T11:22:54,527 | ^~~~~ 2024-04-26T11:22:54,528 src/inter_energy.c:2682:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:22:54,529 2682 | int typeA,typeB; 2024-04-26T11:22:54,529 | ^~~~~ 2024-04-26T11:22:54,530 src/inter_energy.c:2681:14: warning: unused variable ‘indexB’ [-Wunused-variable] 2024-04-26T11:22:54,530 2681 | int indexA,indexB; 2024-04-26T11:22:54,530 | ^~~~~~ 2024-04-26T11:22:54,531 src/inter_energy.c:2681:7: warning: unused variable ‘indexA’ [-Wunused-variable] 2024-04-26T11:22:54,532 2681 | int indexA,indexB; 2024-04-26T11:22:54,532 | ^~~~~~ 2024-04-26T11:22:54,540 src/inter_energy.c: In function ‘CalculateInterChargeChargeEnergyDifferenceAdsorbateRXCM’: 2024-04-26T11:22:54,542 src/inter_energy.c:2843:7: warning: unused variable ‘ncell’ [-Wunused-variable] 2024-04-26T11:22:54,542 2843 | int ncell; 2024-04-26T11:22:54,542 | ^~~~~ 2024-04-26T11:22:54,544 src/inter_energy.c:2838:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:22:54,544 2838 | int typeA,typeB; 2024-04-26T11:22:54,544 | ^~~~~ 2024-04-26T11:22:54,545 src/inter_energy.c:2838:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:22:54,545 2838 | int typeA,typeB; 2024-04-26T11:22:54,545 | ^~~~~ 2024-04-26T11:22:54,554 src/inter_energy.c: In function ‘CalculateInterVDWEnergyDifferenceAdsorbate’: 2024-04-26T11:22:54,556 src/inter_energy.c:3070:7: warning: variable ‘TypeMolB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:22:54,556 3070 | int TypeMolB; 2024-04-26T11:22:54,556 | ^~~~~~~~ 2024-04-26T11:22:54,565 src/inter_energy.c: In function ‘CalculateInterVDWEnergyDifferenceCation’: 2024-04-26T11:22:54,567 src/inter_energy.c:3359:7: warning: variable ‘TypeMolB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:22:54,567 3359 | int TypeMolB; 2024-04-26T11:22:54,567 | ^~~~~~~~ 2024-04-26T11:22:54,627 src/inter_energy.c: In function ‘CalculateInterChargeElectrostaticPotential’: 2024-04-26T11:22:54,630 src/inter_energy.c:6001:8: warning: variable ‘chargeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:22:54,630 6001 | REAL chargeB; 2024-04-26T11:22:54,630 | ^~~~~~~ 2024-04-26T11:22:54,634 src/inter_energy.c:5998:11: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:22:54,634 5998 | int i,j,typeB; 2024-04-26T11:22:54,634 | ^~~~~ 2024-04-26T11:22:54,636 src/inter_energy.c: In function ‘CalculateInterVDWEnergyCorrectionAdsorbate’: 2024-04-26T11:22:54,640 src/inter_energy.c:6064:7: warning: variable ‘TypeMolB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:22:54,640 6064 | int TypeMolB; 2024-04-26T11:22:54,640 | ^~~~~~~~ 2024-04-26T11:22:54,642 src/inter_energy.c: In function ‘CalculateInterVDWEnergyCorrectionCation’: 2024-04-26T11:22:54,645 src/inter_energy.c:6114:7: warning: variable ‘TypeMolB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:22:54,646 6114 | int TypeMolB; 2024-04-26T11:22:54,647 | ^~~~~~~~ 2024-04-26T11:22:54,704 src/inter_energy.c: In function ‘CalculateInterVDWEnergyDifferenceAdsorbateNewRXCM’: 2024-04-26T11:22:54,705 src/inter_energy.c:2468:1: warning: control reaches end of non-void function [-Wreturn-type] 2024-04-26T11:22:54,705 2468 | } 2024-04-26T11:22:54,706 | ^ 2024-04-26T11:22:54,709 src/inter_energy.c: In function ‘CalculateInterVDWEnergyDifferenceAdsorbateRXCM’: 2024-04-26T11:22:54,710 src/inter_energy.c:2670:1: warning: control reaches end of non-void function [-Wreturn-type] 2024-04-26T11:22:54,711 2670 | } 2024-04-26T11:22:54,711 | ^ 2024-04-26T11:22:54,714 src/inter_energy.c: In function ‘CalculateInterChargeChargeEnergyDifferenceAdsorbateNewRXCM’: 2024-04-26T11:22:54,715 src/inter_energy.c:2832:1: warning: control reaches end of non-void function [-Wreturn-type] 2024-04-26T11:22:54,715 2832 | } 2024-04-26T11:22:54,716 | ^ 2024-04-26T11:22:54,720 src/inter_energy.c: In function ‘CalculateInterChargeChargeEnergyDifferenceAdsorbateRXCM’: 2024-04-26T11:22:54,721 src/inter_energy.c:3038:1: warning: control reaches end of non-void function [-Wreturn-type] 2024-04-26T11:22:54,721 3038 | } 2024-04-26T11:22:54,722 | ^ 2024-04-26T11:23:01,529 src/inter_energy.c: In function ‘CalculateInterVDWEnergyDifferenceAdsorbate’: 2024-04-26T11:23:01,530 src/inter_energy.c:3283:54: warning: ‘scalingA_old’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:01,530 3283 | UAdsorbateVDWDelta[CurrentSystem]-=PotentialValue(typeA,typeB,rr,scalingA_old*scalingB); 2024-04-26T11:23:01,530 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:01,532 src/inter_energy.c:3174:34: warning: ‘posA_old.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:01,532 3174 | dr.z=posA_old.z-(posB.z+ReplicaShift[ncell].z); 2024-04-26T11:23:01,532 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:01,534 src/inter_energy.c:3173:34: warning: ‘posA_old.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:01,534 3173 | dr.y=posA_old.y-(posB.y+ReplicaShift[ncell].y); 2024-04-26T11:23:01,534 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:01,536 src/inter_energy.c:3172:34: warning: ‘posA_old.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:01,536 3172 | dr.x=posA_old.x-(posB.x+ReplicaShift[ncell].x); 2024-04-26T11:23:01,536 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:01,538 src/inter_energy.c:3156:34: warning: ‘posA_new.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:01,538 3156 | dr.z=posA_new.z-(posB.z+ReplicaShift[ncell].z); 2024-04-26T11:23:01,538 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:01,540 src/inter_energy.c:3155:34: warning: ‘posA_new.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:01,540 3155 | dr.y=posA_new.y-(posB.y+ReplicaShift[ncell].y); 2024-04-26T11:23:01,540 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:01,542 src/inter_energy.c:3154:34: warning: ‘posA_new.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:01,542 3154 | dr.x=posA_new.x-(posB.x+ReplicaShift[ncell].x); 2024-04-26T11:23:01,542 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:01,543 src/inter_energy.c:3161:28: warning: ‘scalingA_new’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:01,543 3161 | energy=PotentialValue(typeA,typeB,rr,scalingA_new*scalingB); 2024-04-26T11:23:01,544 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:02,027 src/inter_energy.c: In function ‘CalculateInterVDWEnergyDifferenceCation’: 2024-04-26T11:23:02,028 src/inter_energy.c:3573:51: warning: ‘scalingA_old’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:02,029 3573 | UCationVDWDelta[CurrentSystem]-=PotentialValue(typeA,typeB,rr,scalingA_old*scalingB); 2024-04-26T11:23:02,029 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:02,031 src/inter_energy.c:3463:34: warning: ‘posA_old.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:02,031 3463 | dr.z=posA_old.z-(posB.z+ReplicaShift[ncell].z); 2024-04-26T11:23:02,031 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:02,033 src/inter_energy.c:3462:34: warning: ‘posA_old.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:02,033 3462 | dr.y=posA_old.y-(posB.y+ReplicaShift[ncell].y); 2024-04-26T11:23:02,033 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:02,035 src/inter_energy.c:3461:34: warning: ‘posA_old.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:02,035 3461 | dr.x=posA_old.x-(posB.x+ReplicaShift[ncell].x); 2024-04-26T11:23:02,035 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:02,037 src/inter_energy.c:3445:34: warning: ‘posA_new.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:02,037 3445 | dr.z=posA_new.z-(posB.z+ReplicaShift[ncell].z); 2024-04-26T11:23:02,037 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:02,039 src/inter_energy.c:3444:34: warning: ‘posA_new.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:02,039 3444 | dr.y=posA_new.y-(posB.y+ReplicaShift[ncell].y); 2024-04-26T11:23:02,039 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:02,041 src/inter_energy.c:3443:34: warning: ‘posA_new.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:02,041 3443 | dr.x=posA_new.x-(posB.x+ReplicaShift[ncell].x); 2024-04-26T11:23:02,041 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:02,043 src/inter_energy.c:3450:28: warning: ‘scalingA_new’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:02,043 3450 | energy=PotentialValue(typeA,typeB,rr,scalingA_new*scalingB); 2024-04-26T11:23:02,043 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:02,537 src/inter_energy.c: In function ‘CalculateInterChargeChargeEnergyDifferenceAdsorbate’: 2024-04-26T11:23:02,538 src/inter_energy.c:3854:67: warning: ‘chargeA_old’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:02,539 3854 | UAdsorbateChargeChargeRealDelta[CurrentSystem]-=PotentialValueCoulombic(chargeA_old,chargeB,sqrt(r2)); 2024-04-26T11:23:02,539 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:02,541 src/inter_energy.c:3750:34: warning: ‘posA_old.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:02,541 3750 | dr.z=posA_old.z-(posB.z+ReplicaShift[ncell].z); 2024-04-26T11:23:02,541 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:02,543 src/inter_energy.c:3749:34: warning: ‘posA_old.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:02,543 3749 | dr.y=posA_old.y-(posB.y+ReplicaShift[ncell].y); 2024-04-26T11:23:02,543 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:02,545 src/inter_energy.c:3748:34: warning: ‘posA_old.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:02,545 3748 | dr.x=posA_old.x-(posB.x+ReplicaShift[ncell].x); 2024-04-26T11:23:02,546 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:02,548 src/inter_energy.c:3732:34: warning: ‘posA_new.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:02,548 3732 | dr.z=posA_new.z-(posB.z+ReplicaShift[ncell].z); 2024-04-26T11:23:02,548 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:02,550 src/inter_energy.c:3731:34: warning: ‘posA_new.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:02,550 3731 | dr.y=posA_new.y-(posB.y+ReplicaShift[ncell].y); 2024-04-26T11:23:02,550 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:02,552 src/inter_energy.c:3730:34: warning: ‘posA_new.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:02,552 3730 | dr.x=posA_new.x-(posB.x+ReplicaShift[ncell].x); 2024-04-26T11:23:02,552 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:02,554 src/inter_energy.c:3737:28: warning: ‘chargeA_new’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:02,554 3737 | energy=PotentialValueCoulombic(chargeA_new,chargeB,sqrt(r2)); 2024-04-26T11:23:02,554 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:03,081 src/inter_energy.c: In function ‘CalculateInterChargeChargeEnergyDifferenceCation’: 2024-04-26T11:23:03,083 src/inter_energy.c:4021:34: warning: ‘posA_old.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:03,083 4021 | dr.z=posA_old.z-(posB.z+ReplicaShift[ncell].z); 2024-04-26T11:23:03,083 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:03,085 src/inter_energy.c:4020:34: warning: ‘posA_old.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:03,085 4020 | dr.y=posA_old.y-(posB.y+ReplicaShift[ncell].y); 2024-04-26T11:23:03,085 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:03,088 src/inter_energy.c:4019:34: warning: ‘posA_old.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:03,088 4019 | dr.x=posA_old.x-(posB.x+ReplicaShift[ncell].x); 2024-04-26T11:23:03,088 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:03,090 src/inter_energy.c:4025:66: warning: ‘chargeA_old’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:03,090 4025 | UCationChargeChargeRealDelta[CurrentSystem]-=PotentialValueCoulombic(chargeA_old,chargeB,sqrt(r2)); 2024-04-26T11:23:03,090 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:03,092 src/inter_energy.c:4011:66: warning: ‘chargeA_new’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:03,092 4011 | UCationChargeChargeRealDelta[CurrentSystem]+=PotentialValueCoulombic(chargeA_new,chargeB,sqrt(r2)); 2024-04-26T11:23:03,093 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:03,742 src/inter_energy.c: In function ‘CalculateInterChargeBondDipoleEnergyDifferenceAdsorbate’: 2024-04-26T11:23:03,742 src/inter_energy.c:4413:36: warning: ‘posA_old.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:03,742 4413 | dr.z=posA_old.z-(posB.z+ReplicaShift[ncell].z); 2024-04-26T11:23:03,742 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:03,743 src/inter_energy.c:4412:36: warning: ‘posA_old.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:03,743 4412 | dr.y=posA_old.y-(posB.y+ReplicaShift[ncell].y); 2024-04-26T11:23:03,743 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:03,743 src/inter_energy.c:4411:36: warning: ‘posA_old.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:03,743 4411 | dr.x=posA_old.x-(posB.x+ReplicaShift[ncell].x); 2024-04-26T11:23:03,743 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:03,745 src/inter_energy.c:4398:36: warning: ‘posA_new.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:03,745 4398 | dr.z=posA_new.z-(posB.z+ReplicaShift[ncell].z); 2024-04-26T11:23:03,745 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:03,748 src/inter_energy.c:4397:36: warning: ‘posA_new.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:03,749 4397 | dr.y=posA_new.y-(posB.y+ReplicaShift[ncell].y); 2024-04-26T11:23:03,749 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:03,752 src/inter_energy.c:4396:36: warning: ‘posA_new.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:03,752 4396 | dr.x=posA_new.x-(posB.x+ReplicaShift[ncell].x); 2024-04-26T11:23:03,752 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:03,754 src/inter_energy.c:4271:73: warning: ‘chargeA_old’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:03,754 4271 | UAdsorbateChargeBondDipoleRealDelta[CurrentSystem]-=PotentialValueChargeBondDipole(chargeA_old,dipoleB,dr,sqrt(rr)); 2024-04-26T11:23:03,755 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:03,757 src/inter_energy.c:4256:73: warning: ‘chargeA_new’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:03,758 4256 | UAdsorbateChargeBondDipoleRealDelta[CurrentSystem]+=PotentialValueChargeBondDipole(chargeA_new,dipoleB,dr,sqrt(rr)); 2024-04-26T11:23:03,758 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:04,839 src/inter_energy.c: In function ‘CalculateInterBondDipoleBondDipoleEnergyDifferenceAdsorbate’: 2024-04-26T11:23:04,842 src/inter_energy.c:4750:8: warning: ‘r’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:04,842 4750 | REAL r; 2024-04-26T11:23:04,842 | ^ 2024-04-26T11:23:04,847 src/inter_energy.c:4913:30: warning: ‘posA_old.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:04,847 4913 | dr.z=posA_old.z-(posB.z+ReplicaShift[ncell].z); 2024-04-26T11:23:04,847 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:04,850 src/inter_energy.c:4911:30: warning: ‘posA_old.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:04,851 4911 | dr.x=posA_old.x-(posB.x+ReplicaShift[ncell].x); 2024-04-26T11:23:04,851 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:04,854 src/inter_energy.c:4912:30: warning: ‘posA_old.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:04,854 4912 | dr.y=posA_old.y-(posB.y+ReplicaShift[ncell].y); 2024-04-26T11:23:04,854 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:05,640 src/inter_energy.c: In function ‘CalculateInterChargeBondDipoleEnergyDifferenceCation’: 2024-04-26T11:23:05,643 src/inter_energy.c:5332:36: warning: ‘posA_old.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:05,643 5332 | dr.z=posA_old.z-(posB.z+ReplicaShift[ncell].z); 2024-04-26T11:23:05,643 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:05,647 src/inter_energy.c:5331:36: warning: ‘posA_old.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:05,647 5331 | dr.y=posA_old.y-(posB.y+ReplicaShift[ncell].y); 2024-04-26T11:23:05,647 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:05,651 src/inter_energy.c:5330:36: warning: ‘posA_old.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:05,651 5330 | dr.x=posA_old.x-(posB.x+ReplicaShift[ncell].x); 2024-04-26T11:23:05,651 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:05,654 src/inter_energy.c:5317:36: warning: ‘posA_new.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:05,655 5317 | dr.z=posA_new.z-(posB.z+ReplicaShift[ncell].z); 2024-04-26T11:23:05,655 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:05,658 src/inter_energy.c:5316:36: warning: ‘posA_new.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:05,658 5316 | dr.y=posA_new.y-(posB.y+ReplicaShift[ncell].y); 2024-04-26T11:23:05,658 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:05,662 src/inter_energy.c:5315:36: warning: ‘posA_new.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:05,662 5315 | dr.x=posA_new.x-(posB.x+ReplicaShift[ncell].x); 2024-04-26T11:23:05,662 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:05,666 src/inter_energy.c:5190:70: warning: ‘chargeA_old’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:05,666 5190 | UCationChargeBondDipoleRealDelta[CurrentSystem]-=PotentialValueChargeBondDipole(chargeA_old,dipoleB,dr,sqrt(rr)); 2024-04-26T11:23:05,666 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:05,669 src/inter_energy.c:5175:70: warning: ‘chargeA_new’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:05,669 5175 | UCationChargeBondDipoleRealDelta[CurrentSystem]+=PotentialValueChargeBondDipole(chargeA_new,dipoleB,dr,sqrt(rr)); 2024-04-26T11:23:05,670 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:06,747 src/inter_energy.c: In function ‘CalculateInterBondDipoleBondDipoleEnergyDifferenceCation’: 2024-04-26T11:23:06,750 src/inter_energy.c:5669:8: warning: ‘r’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:06,751 5669 | REAL r; 2024-04-26T11:23:06,751 | ^ 2024-04-26T11:23:06,756 src/inter_energy.c:5832:30: warning: ‘posA_old.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:06,756 5832 | dr.z=posA_old.z-(posB.z+ReplicaShift[ncell].z); 2024-04-26T11:23:06,756 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:06,760 src/inter_energy.c:5830:30: warning: ‘posA_old.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:06,760 5830 | dr.x=posA_old.x-(posB.x+ReplicaShift[ncell].x); 2024-04-26T11:23:06,760 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:06,763 src/inter_energy.c:5831:30: warning: ‘posA_old.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:06,764 5831 | dr.y=posA_old.y-(posB.y+ReplicaShift[ncell].y); 2024-04-26T11:23:06,764 | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:23:08,162 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/inter_force.c -o build/temp.linux-armv7l-cpython-39/src/inter_force.o 2024-04-26T11:23:08,348 src/inter_force.c: In function ‘CalculateTotalInterChargeChargeCoulombForce’: 2024-04-26T11:23:08,348 src/inter_force.c:956:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:08,349 956 | int typeA,typeB; 2024-04-26T11:23:08,349 | ^~~~~ 2024-04-26T11:23:08,349 src/inter_force.c:956:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:08,349 956 | int typeA,typeB; 2024-04-26T11:23:08,349 | ^~~~~ 2024-04-26T11:23:08,373 src/inter_force.c: In function ‘CalculateTotalInterChargeChargeCoulombElectricFieldMC’: 2024-04-26T11:23:08,375 src/inter_force.c:1909:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:08,375 1909 | REAL r,rr; 2024-04-26T11:23:08,375 | ^ 2024-04-26T11:23:08,376 src/inter_force.c:1908:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:08,376 1908 | int typeA,typeB; 2024-04-26T11:23:08,376 | ^~~~~ 2024-04-26T11:23:08,377 src/inter_force.c:1908:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:08,377 1908 | int typeA,typeB; 2024-04-26T11:23:08,377 | ^~~~~ 2024-04-26T11:23:08,380 src/inter_force.c: In function ‘CalculateInterElectricFieldFromInducedDipoles’: 2024-04-26T11:23:08,382 src/inter_force.c:2165:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:08,382 2165 | REAL r,rr; 2024-04-26T11:23:08,382 | ^ 2024-04-26T11:23:08,383 src/inter_force.c:2163:13: warning: variable ‘TypeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:08,383 2163 | int TypeA,TypeB; 2024-04-26T11:23:08,383 | ^~~~~ 2024-04-26T11:23:08,384 src/inter_force.c:2163:7: warning: variable ‘TypeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:08,384 2163 | int TypeA,TypeB; 2024-04-26T11:23:08,385 | ^~~~~ 2024-04-26T11:23:08,389 src/inter_force.c: In function ‘CalculateInterElectricFieldFromInducedDipoleMC’: 2024-04-26T11:23:08,390 src/inter_force.c:2300:13: warning: variable ‘TypeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:08,391 2300 | int TypeA,TypeB; 2024-04-26T11:23:08,391 | ^~~~~ 2024-04-26T11:23:08,392 src/inter_force.c:2300:7: warning: variable ‘TypeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:08,392 2300 | int TypeA,TypeB; 2024-04-26T11:23:08,392 | ^~~~~ 2024-04-26T11:23:08,397 src/inter_force.c: In function ‘CalculateInterChargeInducedDipoleForce’: 2024-04-26T11:23:08,398 src/inter_force.c:2532:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:08,398 2532 | REAL Bt0,Bt1,Bt2; 2024-04-26T11:23:08,398 | ^~~ 2024-04-26T11:23:08,412 src/inter_force.c: In function ‘CalculateTotalInterReplicaVDWForce’: 2024-04-26T11:23:08,413 src/inter_force.c:2826:28: warning: variable ‘TypeMolB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:08,414 2826 | int typeA,typeB,TypeMolA,TypeMolB; 2024-04-26T11:23:08,414 | ^~~~~~~~ 2024-04-26T11:23:08,415 src/inter_force.c:2826:19: warning: variable ‘TypeMolA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:08,415 2826 | int typeA,typeB,TypeMolA,TypeMolB; 2024-04-26T11:23:08,415 | ^~~~~~~~ 2024-04-26T11:23:08,426 src/inter_force.c: In function ‘CalculateTotalInterReplicaChargeChargeCoulombForce’: 2024-04-26T11:23:08,427 src/inter_force.c:3158:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:08,427 3158 | REAL r,rr; 2024-04-26T11:23:08,428 | ^ 2024-04-26T11:23:08,429 src/inter_force.c:3157:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:08,429 3157 | int typeA,typeB; 2024-04-26T11:23:08,429 | ^~~~~ 2024-04-26T11:23:08,431 src/inter_force.c:3157:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:08,431 3157 | int typeA,typeB; 2024-04-26T11:23:08,432 | ^~~~~ 2024-04-26T11:23:16,770 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/inter_hessian.c -o build/temp.linux-armv7l-cpython-39/src/inter_hessian.o 2024-04-26T11:23:17,360 src/inter_hessian.c: In function ‘PreComputeRotationDerivatives’: 2024-04-26T11:23:17,362 src/inter_hessian.c:3462:18: warning: variable ‘RotationMatrix’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:17,363 3462 | REAL_MATRIX3x3 RotationMatrix; 2024-04-26T11:23:17,363 | ^~~~~~~~~~~~~~ 2024-04-26T11:23:17,365 src/inter_hessian.c:3461:10: warning: variable ‘com’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:17,365 3461 | VECTOR com,pos,p; 2024-04-26T11:23:17,365 | ^~~ 2024-04-26T11:23:17,406 src/inter_hessian.c: In function ‘ComputeInterVDWMolecularHessian’: 2024-04-26T11:23:17,409 src/inter_hessian.c:3627:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:17,409 3627 | REAL r,temp1,temp2,temp3; 2024-04-26T11:23:17,409 | ^ 2024-04-26T11:23:17,456 src/inter_hessian.c: In function ‘ComputeInterChargeChargeMolecularHessian’: 2024-04-26T11:23:17,458 src/inter_hessian.c:4215:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:17,458 4215 | REAL r,temp1,temp2,temp3; 2024-04-26T11:23:17,459 | ^ 2024-04-26T11:23:17,461 src/inter_hessian.c:4207:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:17,461 4207 | int typeA,typeB; 2024-04-26T11:23:17,461 | ^~~~~ 2024-04-26T11:23:17,464 src/inter_hessian.c:4207:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:17,464 4207 | int typeA,typeB; 2024-04-26T11:23:17,464 | ^~~~~ 2024-04-26T11:23:17,472 src/inter_hessian.c: In function ‘CalculateBondConstraintExclusionHessian’: 2024-04-26T11:23:17,475 src/inter_hessian.c:4799:8: warning: variable ‘r’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:17,476 4799 | REAL r,rr; 2024-04-26T11:23:17,476 | ^ 2024-04-26T11:23:19,617 src/inter_hessian.c: In function ‘HessianCenterOfMassOrientation’: 2024-04-26T11:23:19,617 src/inter_hessian.c:260:65: warning: ‘vecj3.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:19,617 260 | Hessian.cz=f2*(dr.x*vecj3.x+dr.y*vecj3.y+dr.z*vecj3.z)*dr.z+f1*vecj3.z; 2024-04-26T11:23:19,617 | ~~^~~~~~~~ 2024-04-26T11:23:19,617 src/inter_hessian.c:256:65: warning: ‘vecj3.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:19,617 256 | Hessian.bz=f2*(dr.x*vecj3.x+dr.y*vecj3.y+dr.z*vecj3.z)*dr.y+f1*vecj3.y; 2024-04-26T11:23:19,617 | ~~^~~~~~~~ 2024-04-26T11:23:19,618 src/inter_hessian.c:252:65: warning: ‘vecj3.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:19,618 252 | Hessian.az=f2*(dr.x*vecj3.x+dr.y*vecj3.y+dr.z*vecj3.z)*dr.x+f1*vecj3.x; 2024-04-26T11:23:19,618 | ~~^~~~~~~~ 2024-04-26T11:23:19,618 src/inter_hessian.c:251:48: warning: ‘vecj2.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:19,618 251 | Hessian.ay=f2*(dr.x*vecj2.x+dr.y*vecj2.y+dr.z*vecj2.z)*dr.x+f1*vecj2.x; 2024-04-26T11:23:19,618 | ~~~~^~~~~~~~ 2024-04-26T11:23:19,618 src/inter_hessian.c:251:35: warning: ‘vecj2.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:19,618 251 | Hessian.ay=f2*(dr.x*vecj2.x+dr.y*vecj2.y+dr.z*vecj2.z)*dr.x+f1*vecj2.x; 2024-04-26T11:23:19,619 | ~~~~^~~~~~~~ 2024-04-26T11:23:19,619 src/inter_hessian.c:251:22: warning: ‘vecj2.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:19,619 251 | Hessian.ay=f2*(dr.x*vecj2.x+dr.y*vecj2.y+dr.z*vecj2.z)*dr.x+f1*vecj2.x; 2024-04-26T11:23:19,619 | ~~~~^~~~~~~~ 2024-04-26T11:23:19,619 src/inter_hessian.c:250:48: warning: ‘vecj1.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:19,619 250 | Hessian.ax=f2*(dr.x*vecj1.x+dr.y*vecj1.y+dr.z*vecj1.z)*dr.x+f1*vecj1.x; 2024-04-26T11:23:19,619 | ~~~~^~~~~~~~ 2024-04-26T11:23:19,620 src/inter_hessian.c:250:35: warning: ‘vecj1.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:19,620 250 | Hessian.ax=f2*(dr.x*vecj1.x+dr.y*vecj1.y+dr.z*vecj1.z)*dr.x+f1*vecj1.x; 2024-04-26T11:23:19,620 | ~~~~^~~~~~~~ 2024-04-26T11:23:19,620 src/inter_hessian.c:250:65: warning: ‘vecj1.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:19,620 250 | Hessian.ax=f2*(dr.x*vecj1.x+dr.y*vecj1.y+dr.z*vecj1.z)*dr.x+f1*vecj1.x; 2024-04-26T11:23:19,620 | ~~^~~~~~~~ 2024-04-26T11:23:19,620 src/inter_hessian.c:172:65: warning: ‘veci3.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:19,621 172 | Hessian.cz=f2*(dr.x*veci3.x+dr.y*veci3.y+dr.z*veci3.z)*dr.z+f1*veci3.z; 2024-04-26T11:23:19,621 | ~~^~~~~~~~ 2024-04-26T11:23:19,621 src/inter_hessian.c:168:65: warning: ‘veci3.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:19,621 168 | Hessian.bz=f2*(dr.x*veci3.x+dr.y*veci3.y+dr.z*veci3.z)*dr.y+f1*veci3.y; 2024-04-26T11:23:19,621 | ~~^~~~~~~~ 2024-04-26T11:23:19,621 src/inter_hessian.c:164:65: warning: ‘veci3.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:19,621 164 | Hessian.az=f2*(dr.x*veci3.x+dr.y*veci3.y+dr.z*veci3.z)*dr.x+f1*veci3.x; 2024-04-26T11:23:19,622 | ~~^~~~~~~~ 2024-04-26T11:23:19,622 src/inter_hessian.c:163:48: warning: ‘veci2.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:19,622 163 | Hessian.ay=f2*(dr.x*veci2.x+dr.y*veci2.y+dr.z*veci2.z)*dr.x+f1*veci2.x; 2024-04-26T11:23:19,622 | ~~~~^~~~~~~~ 2024-04-26T11:23:19,622 src/inter_hessian.c:163:35: warning: ‘veci2.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:19,622 163 | Hessian.ay=f2*(dr.x*veci2.x+dr.y*veci2.y+dr.z*veci2.z)*dr.x+f1*veci2.x; 2024-04-26T11:23:19,622 | ~~~~^~~~~~~~ 2024-04-26T11:23:19,623 src/inter_hessian.c:163:22: warning: ‘veci2.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:19,623 163 | Hessian.ay=f2*(dr.x*veci2.x+dr.y*veci2.y+dr.z*veci2.z)*dr.x+f1*veci2.x; 2024-04-26T11:23:19,623 | ~~~~^~~~~~~~ 2024-04-26T11:23:19,623 src/inter_hessian.c:162:48: warning: ‘veci1.z’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:19,623 162 | Hessian.ax=f2*(dr.x*veci1.x+dr.y*veci1.y+dr.z*veci1.z)*dr.x+f1*veci1.x; 2024-04-26T11:23:19,623 | ~~~~^~~~~~~~ 2024-04-26T11:23:19,623 src/inter_hessian.c:162:35: warning: ‘veci1.y’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:19,623 162 | Hessian.ax=f2*(dr.x*veci1.x+dr.y*veci1.y+dr.z*veci1.z)*dr.x+f1*veci1.x; 2024-04-26T11:23:19,624 | ~~~~^~~~~~~~ 2024-04-26T11:23:19,624 src/inter_hessian.c:162:65: warning: ‘veci1.x’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:19,624 162 | Hessian.ax=f2*(dr.x*veci1.x+dr.y*veci1.y+dr.z*veci1.z)*dr.x+f1*veci1.x; 2024-04-26T11:23:19,624 | ~~^~~~~~~~ 2024-04-26T11:23:26,972 src/inter_hessian.c: In function ‘ComputeInterVDWMolecularHessian’: 2024-04-26T11:23:26,975 src/inter_hessian.c:4025:49: warning: ‘j’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:23:26,975 4025 | scalingA=Cations[CurrentSystem][I].Atoms[j].CFVDWScalingParameter; 2024-04-26T11:23:26,975 | ^ 2024-04-26T11:23:32,324 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/internal_born.c -o build/temp.linux-armv7l-cpython-39/src/internal_born.o 2024-04-26T11:23:32,633 src/internal_born.c: In function ‘CalculateAdsorbateIntraCoulombBornTerm’: 2024-04-26T11:23:32,635 src/internal_born.c:4296:48: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:32,635 4296 | int i,m,NumberOfIntraChargeCharge,Type,typeA,typeB,A,B; 2024-04-26T11:23:32,635 | ^~~~~ 2024-04-26T11:23:32,635 src/internal_born.c:4296:42: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:32,635 4296 | int i,m,NumberOfIntraChargeCharge,Type,typeA,typeB,A,B; 2024-04-26T11:23:32,635 | ^~~~~ 2024-04-26T11:23:32,636 src/internal_born.c: In function ‘CalculateCationIntraCoulombBornTerm’: 2024-04-26T11:23:32,637 src/internal_born.c:4379:48: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:32,638 4379 | int i,m,NumberOfIntraChargeCharge,Type,typeA,typeB,A,B; 2024-04-26T11:23:32,638 | ^~~~~ 2024-04-26T11:23:32,638 src/internal_born.c:4379:42: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:32,639 4379 | int i,m,NumberOfIntraChargeCharge,Type,typeA,typeB,A,B; 2024-04-26T11:23:32,639 | ^~~~~ 2024-04-26T11:23:51,553 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/internal_energy.c -o build/temp.linux-armv7l-cpython-39/src/internal_energy.o 2024-04-26T11:23:51,727 src/internal_energy.c: In function ‘CalculateBendEnergy’: 2024-04-26T11:23:51,729 src/internal_energy.c:1166:20: warning: variable ‘energy’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:51,729 1166 | REAL rab,rbc,rac,energy; 2024-04-26T11:23:51,729 | ^~~~~~ 2024-04-26T11:23:51,781 src/internal_energy.c: In function ‘CalculateBendBendEnergy’: 2024-04-26T11:23:51,782 src/internal_energy.c:4036:52: warning: variable ‘SinTheta2’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:51,783 4036 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2024-04-26T11:23:51,783 | ^~~~~~~~~ 2024-04-26T11:23:51,784 src/internal_energy.c:4036:42: warning: variable ‘SinTheta1’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:51,784 4036 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2024-04-26T11:23:51,784 | ^~~~~~~~~ 2024-04-26T11:23:51,787 src/internal_energy.c: In function ‘CalculateBendBendEnergyAdsorbate’: 2024-04-26T11:23:51,788 src/internal_energy.c:4118:52: warning: variable ‘SinTheta2’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:51,788 4118 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2024-04-26T11:23:51,789 | ^~~~~~~~~ 2024-04-26T11:23:51,790 src/internal_energy.c:4118:42: warning: variable ‘SinTheta1’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:51,790 4118 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2024-04-26T11:23:51,790 | ^~~~~~~~~ 2024-04-26T11:23:51,792 src/internal_energy.c: In function ‘CalculateBendBendEnergyCation’: 2024-04-26T11:23:51,794 src/internal_energy.c:4212:52: warning: variable ‘SinTheta2’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:51,794 4212 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2024-04-26T11:23:51,794 | ^~~~~~~~~ 2024-04-26T11:23:51,795 src/internal_energy.c:4212:42: warning: variable ‘SinTheta1’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:51,796 4212 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2024-04-26T11:23:51,796 | ^~~~~~~~~ 2024-04-26T11:23:51,799 src/internal_energy.c: In function ‘CalculateBondTorsionEnergy’: 2024-04-26T11:23:51,800 src/internal_energy.c:4302:16: warning: variable ‘rcd’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:51,800 4302 | REAL rab,rbc,rcd,temp; 2024-04-26T11:23:51,800 | ^~~ 2024-04-26T11:23:51,802 src/internal_energy.c:4302:8: warning: variable ‘rab’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:51,802 4302 | REAL rab,rbc,rcd,temp; 2024-04-26T11:23:51,802 | ^~~ 2024-04-26T11:23:51,804 src/internal_energy.c: In function ‘CalculateBondTorsionEnergyAdsorbate’: 2024-04-26T11:23:51,805 src/internal_energy.c:4388:29: warning: variable ‘rcd’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:51,805 4388 | REAL UBondTorsion,rab,rbc,rcd,temp; 2024-04-26T11:23:51,805 | ^~~ 2024-04-26T11:23:51,807 src/internal_energy.c:4388:21: warning: variable ‘rab’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:51,807 4388 | REAL UBondTorsion,rab,rbc,rcd,temp; 2024-04-26T11:23:51,807 | ^~~ 2024-04-26T11:23:51,809 src/internal_energy.c: In function ‘CalculateBondTorsionEnergyCation’: 2024-04-26T11:23:51,811 src/internal_energy.c:4483:29: warning: variable ‘rcd’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:51,811 4483 | REAL UBondTorsion,rab,rbc,rcd,temp; 2024-04-26T11:23:51,811 | ^~~ 2024-04-26T11:23:51,813 src/internal_energy.c:4483:21: warning: variable ‘rab’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:51,813 4483 | REAL UBondTorsion,rab,rbc,rcd,temp; 2024-04-26T11:23:51,813 | ^~~ 2024-04-26T11:23:51,817 src/internal_energy.c: In function ‘CalculateBendTorsionEnergy’: 2024-04-26T11:23:51,818 src/internal_energy.c:4582:52: warning: variable ‘SinTheta2’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:51,818 4582 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2024-04-26T11:23:51,818 | ^~~~~~~~~ 2024-04-26T11:23:51,820 src/internal_energy.c:4582:42: warning: variable ‘SinTheta1’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:51,820 4582 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2024-04-26T11:23:51,820 | ^~~~~~~~~ 2024-04-26T11:23:51,824 src/internal_energy.c: In function ‘CalculateBendTorsionEnergyAdsorbate’: 2024-04-26T11:23:51,826 src/internal_energy.c:4738:52: warning: variable ‘SinTheta2’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:51,826 4738 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2024-04-26T11:23:51,826 | ^~~~~~~~~ 2024-04-26T11:23:51,828 src/internal_energy.c:4738:42: warning: variable ‘SinTheta1’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:51,828 4738 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2024-04-26T11:23:51,828 | ^~~~~~~~~ 2024-04-26T11:23:51,832 src/internal_energy.c: In function ‘CalculateBendTorsionEnergyCation’: 2024-04-26T11:23:51,834 src/internal_energy.c:4905:52: warning: variable ‘SinTheta2’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:51,834 4905 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2024-04-26T11:23:51,834 | ^~~~~~~~~ 2024-04-26T11:23:51,836 src/internal_energy.c:4905:42: warning: variable ‘SinTheta1’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:51,836 4905 | REAL CosTheta1,CosTheta2,Theta1,Theta2,SinTheta1,SinTheta2; 2024-04-26T11:23:51,836 | ^~~~~~~~~ 2024-04-26T11:23:51,839 src/internal_energy.c: In function ‘CalculateIntraChargeChargeEnergyAdsorbate’: 2024-04-26T11:23:51,842 src/internal_energy.c:5148:53: warning: variable ‘TypeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:51,842 5148 | int i,NumberOfIntraChargeChargeCoulomb,Type,TypeA,TypeB,A,B; 2024-04-26T11:23:51,842 | ^~~~~ 2024-04-26T11:23:51,844 src/internal_energy.c:5148:47: warning: variable ‘TypeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:51,844 5148 | int i,NumberOfIntraChargeChargeCoulomb,Type,TypeA,TypeB,A,B; 2024-04-26T11:23:51,844 | ^~~~~ 2024-04-26T11:23:51,845 src/internal_energy.c: In function ‘CalculateIntraChargeChargeEnergyCation’: 2024-04-26T11:23:51,848 src/internal_energy.c:5193:53: warning: variable ‘TypeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:51,848 5193 | int i,NumberOfIntraChargeChargeCoulomb,Type,TypeA,TypeB,A,B; 2024-04-26T11:23:51,848 | ^~~~~ 2024-04-26T11:23:51,850 src/internal_energy.c:5193:47: warning: variable ‘TypeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:51,850 5193 | int i,NumberOfIntraChargeChargeCoulomb,Type,TypeA,TypeB,A,B; 2024-04-26T11:23:51,850 | ^~~~~ 2024-04-26T11:23:51,857 src/internal_energy.c: In function ‘CalculateIntraBondDipoleBondDipoleEnergyAdsorbate’: 2024-04-26T11:23:51,859 src/internal_energy.c:5366:20: warning: variable ‘Bt3’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:51,859 5366 | REAL Bt0,Bt1,Bt2,Bt3,cosA,cosB,cosAB; 2024-04-26T11:23:51,859 | ^~~ 2024-04-26T11:23:51,861 src/internal_energy.c:5366:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:51,861 5366 | REAL Bt0,Bt1,Bt2,Bt3,cosA,cosB,cosAB; 2024-04-26T11:23:51,861 | ^~~ 2024-04-26T11:23:51,864 src/internal_energy.c: In function ‘CalculateIntraBondDipoleBondDipoleEnergyCation’: 2024-04-26T11:23:51,866 src/internal_energy.c:5447:20: warning: variable ‘Bt3’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:51,866 5447 | REAL Bt0,Bt1,Bt2,Bt3,cosA,cosB,cosAB; 2024-04-26T11:23:51,867 | ^~~ 2024-04-26T11:23:51,869 src/internal_energy.c:5447:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:51,869 5447 | REAL Bt0,Bt1,Bt2,Bt3,cosA,cosB,cosAB; 2024-04-26T11:23:51,869 | ^~~ 2024-04-26T11:23:51,872 src/internal_energy.c: In function ‘CalculateHarmonicDihedralConstraintEnergy’: 2024-04-26T11:23:51,874 src/internal_energy.c:5617:19: warning: variable ‘CosPhi2’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:51,875 5617 | REAL CosPhi,Phi,CosPhi2,U; 2024-04-26T11:23:51,876 | ^~~~~~~ 2024-04-26T11:23:57,762 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/internal_force.c -o build/temp.linux-armv7l-cpython-39/src/internal_force.o 2024-04-26T11:23:57,907 src/internal_force.c: In function ‘ReturnDihedralAngle’: 2024-04-26T11:23:57,909 src/internal_force.c:91:12: warning: variable ‘v’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:57,909 91 | REAL u,w,v; 2024-04-26T11:23:57,909 | ^ 2024-04-26T11:23:57,909 src/internal_force.c:91:10: warning: variable ‘w’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:57,909 91 | REAL u,w,v; 2024-04-26T11:23:57,910 | ^ 2024-04-26T11:23:57,910 src/internal_force.c:91:8: warning: variable ‘u’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:57,910 91 | REAL u,w,v; 2024-04-26T11:23:57,910 | ^ 2024-04-26T11:23:57,911 src/internal_force.c: In function ‘ReturnInversionBendAngle’: 2024-04-26T11:23:57,912 src/internal_force.c:173:18: warning: variable ‘ChiD’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:57,912 173 | REAL ChiA,ChiC,ChiD; 2024-04-26T11:23:57,912 | ^~~~ 2024-04-26T11:23:57,912 src/internal_force.c:173:13: warning: variable ‘ChiC’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:57,912 173 | REAL ChiA,ChiC,ChiD; 2024-04-26T11:23:57,912 | ^~~~ 2024-04-26T11:23:57,919 src/internal_force.c: In function ‘ReturnWilsonVectorsInversionBend’: 2024-04-26T11:23:57,919 src/internal_force.c:385:8: warning: variable ‘ThetaD’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:57,920 385 | REAL ThetaD,SinThetaD,CosThetaD,ChiD,CosChiD,TanChiD; 2024-04-26T11:23:57,920 | ^~~~~~ 2024-04-26T11:23:57,920 src/internal_force.c:384:8: warning: variable ‘ThetaC’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:57,920 384 | REAL ThetaC,SinThetaC,CosThetaC,ChiC,CosChiC,TanChiC; 2024-04-26T11:23:57,920 | ^~~~~~ 2024-04-26T11:23:57,921 src/internal_force.c:383:8: warning: variable ‘ThetaA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:57,921 383 | REAL ThetaA,SinThetaA,CosThetaA,ChiA,CosChiA,TanChiA; 2024-04-26T11:23:57,921 | ^~~~~~ 2024-04-26T11:23:57,943 src/internal_force.c: In function ‘CalculateAdsorbateBendForce’: 2024-04-26T11:23:57,944 src/internal_force.c:1175:23: warning: variable ‘SinTheta’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:57,944 1175 | REAL CosTheta,Theta,SinTheta; 2024-04-26T11:23:57,944 | ^~~~~~~~ 2024-04-26T11:23:57,952 src/internal_force.c: In function ‘CalculateCationBendForce’: 2024-04-26T11:23:57,953 src/internal_force.c:1523:23: warning: variable ‘SinTheta’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:57,953 1523 | REAL CosTheta,Theta,SinTheta; 2024-04-26T11:23:57,953 | ^~~~~~~~ 2024-04-26T11:23:57,959 src/internal_force.c: In function ‘CalculateAdsorbateInversionBendForce’: 2024-04-26T11:23:57,960 src/internal_force.c:1874:18: warning: variable ‘rrbc’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:57,960 1874 | REAL rrab,rab2,rrbc,rbc2,rbd2,rad2,rac2,dot; 2024-04-26T11:23:57,960 | ^~~~ 2024-04-26T11:23:57,967 src/internal_force.c: In function ‘CalculateCationInversionBendForce’: 2024-04-26T11:23:57,968 src/internal_force.c:2113:18: warning: variable ‘rrbc’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:57,968 2113 | REAL rrab,rab2,rrbc,rbc2,rbd2,rad2,rac2,dot; 2024-04-26T11:23:57,968 | ^~~~ 2024-04-26T11:23:58,011 src/internal_force.c: In function ‘CalculateAdsorbateBondBendForce’: 2024-04-26T11:23:58,013 src/internal_force.c:3784:39: warning: variable ‘vterm’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:58,013 3784 | REAL *parms,gamma,gamsa,gamsc,pterm,vterm; 2024-04-26T11:23:58,013 | ^~~~~ 2024-04-26T11:23:58,019 src/internal_force.c: In function ‘CalculateCationBondBendForce’: 2024-04-26T11:23:58,022 src/internal_force.c:3970:39: warning: variable ‘vterm’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:58,022 3970 | REAL *parms,gamma,gamsa,gamsc,pterm,vterm; 2024-04-26T11:23:58,022 | ^~~~~ 2024-04-26T11:23:58,027 src/internal_force.c: In function ‘CalculateAdsorbateBendBendForce’: 2024-04-26T11:23:58,030 src/internal_force.c:4160:13: warning: variable ‘fb’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:58,030 4160 | VECTOR fa,fb,fc,fd; 2024-04-26T11:23:58,030 | ^~ 2024-04-26T11:23:58,035 src/internal_force.c: In function ‘CalculateCationBendBendForce’: 2024-04-26T11:23:58,038 src/internal_force.c:4324:13: warning: variable ‘fb’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:58,038 4324 | VECTOR fa,fb,fc,fd; 2024-04-26T11:23:58,038 | ^~ 2024-04-26T11:23:58,072 src/internal_force.c: In function ‘CalculateAdsorbateIntraChargeChargeForce’: 2024-04-26T11:23:58,075 src/internal_force.c:5543:46: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:58,076 5543 | int i,NumberOfIntraChargeCharge,Type,typeA,typeB,A,B; 2024-04-26T11:23:58,076 | ^~~~~ 2024-04-26T11:23:58,079 src/internal_force.c:5543:40: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:58,079 5543 | int i,NumberOfIntraChargeCharge,Type,typeA,typeB,A,B; 2024-04-26T11:23:58,079 | ^~~~~ 2024-04-26T11:23:58,081 src/internal_force.c: In function ‘CalculateCationIntraChargeChargeForce’: 2024-04-26T11:23:58,084 src/internal_force.c:5610:46: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:58,084 5610 | int i,NumberOfIntraChargeCharge,Type,typeA,typeB,A,B; 2024-04-26T11:23:58,084 | ^~~~~ 2024-04-26T11:23:58,088 src/internal_force.c:5610:40: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:58,088 5610 | int i,NumberOfIntraChargeCharge,Type,typeA,typeB,A,B; 2024-04-26T11:23:58,088 | ^~~~~ 2024-04-26T11:23:58,091 src/internal_force.c: In function ‘CalculateAdsorbateIntraChargeBondDipoleForce’: 2024-04-26T11:23:58,094 src/internal_force.c:5679:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:58,094 5679 | REAL Bt0,Bt1,Bt2,cosB; 2024-04-26T11:23:58,095 | ^~~ 2024-04-26T11:23:58,098 src/internal_force.c: In function ‘CalculateCationIntraChargeBondDipoleForce’: 2024-04-26T11:23:58,101 src/internal_force.c:5791:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:58,101 5791 | REAL Bt0,Bt1,Bt2,cosB; 2024-04-26T11:23:58,101 | ^~~ 2024-04-26T11:23:58,106 src/internal_force.c: In function ‘CalculateAdsorbateIntraBondDipoleBondDipoleForce’: 2024-04-26T11:23:58,109 src/internal_force.c:5903:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:58,109 5903 | REAL Bt0,Bt1,Bt2,Bt3,cosA,cosB,cosAB; 2024-04-26T11:23:58,109 | ^~~ 2024-04-26T11:23:58,116 src/internal_force.c: In function ‘CalculateCationIntraBondDipoleBondDipoleForce’: 2024-04-26T11:23:58,119 src/internal_force.c:6072:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:58,120 6072 | REAL Bt0,Bt1,Bt2,Bt3,cosA,cosB,cosAB; 2024-04-26T11:23:58,120 | ^~~ 2024-04-26T11:23:58,124 src/internal_force.c: In function ‘CalculateHarmonicAngleConstraintForce’: 2024-04-26T11:23:58,127 src/internal_force.c:6301:25: warning: variable ‘fb’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:58,127 6301 | VECTOR Rab,Rac,Rbc,fa,fb,fc,dtA,dtB,dtC; 2024-04-26T11:23:58,127 | ^~ 2024-04-26T11:23:58,131 src/internal_force.c:6298:23: warning: variable ‘SinTheta’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:58,131 6298 | REAL CosTheta,Theta,SinTheta; 2024-04-26T11:23:58,131 | ^~~~~~~~ 2024-04-26T11:23:58,136 src/internal_force.c: In function ‘CalculateHarmonicDihedralConstraintForce’: 2024-04-26T11:23:58,139 src/internal_force.c:6411:19: warning: variable ‘CosPhi2’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:23:58,139 6411 | REAL CosPhi,Phi,CosPhi2,SinPhi,U,DF; 2024-04-26T11:23:58,139 | ^~~~~~~ 2024-04-26T11:24:09,217 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/internal_hessian.c -o build/temp.linux-armv7l-cpython-39/src/internal_hessian.o 2024-04-26T11:24:11,253 src/internal_hessian.c: In function ‘CalculateAdsorbateBondBondHessian’: 2024-04-26T11:24:11,259 src/internal_hessian.c:8602:18: warning: unused variable ‘Hessian’ [-Wunused-variable] 2024-04-26T11:24:11,259 8602 | REAL_MATRIX3x3 Hessian,Hessian1,Hessian2,Hessian3; 2024-04-26T11:24:11,259 | ^~~~~~~ 2024-04-26T11:24:11,264 src/internal_hessian.c:8601:10: warning: unused variable ‘dr’ [-Wunused-variable] 2024-04-26T11:24:11,265 8601 | VECTOR dr; 2024-04-26T11:24:11,265 | ^~ 2024-04-26T11:24:11,270 src/internal_hessian.c:8597:33: warning: unused variable ‘exp_term’ [-Wunused-variable] 2024-04-26T11:24:11,271 8597 | REAL U,DF,DDF,r,rr,temp,temp2,exp_term,energy; 2024-04-26T11:24:11,271 | ^~~~~~~~ 2024-04-26T11:24:11,276 src/internal_hessian.c:8597:27: warning: unused variable ‘temp2’ [-Wunused-variable] 2024-04-26T11:24:11,277 8597 | REAL U,DF,DDF,r,rr,temp,temp2,exp_term,energy; 2024-04-26T11:24:11,277 | ^~~~~ 2024-04-26T11:24:11,282 src/internal_hessian.c:8597:22: warning: unused variable ‘temp’ [-Wunused-variable] 2024-04-26T11:24:11,282 8597 | REAL U,DF,DDF,r,rr,temp,temp2,exp_term,energy; 2024-04-26T11:24:11,283 | ^~~~ 2024-04-26T11:24:11,288 src/internal_hessian.c:8597:19: warning: unused variable ‘rr’ [-Wunused-variable] 2024-04-26T11:24:11,288 8597 | REAL U,DF,DDF,r,rr,temp,temp2,exp_term,energy; 2024-04-26T11:24:11,288 | ^~ 2024-04-26T11:24:11,294 src/internal_hessian.c:8597:17: warning: unused variable ‘r’ [-Wunused-variable] 2024-04-26T11:24:11,294 8597 | REAL U,DF,DDF,r,rr,temp,temp2,exp_term,energy; 2024-04-26T11:24:11,294 | ^ 2024-04-26T11:24:11,300 src/internal_hessian.c:8597:13: warning: unused variable ‘DDF’ [-Wunused-variable] 2024-04-26T11:24:11,300 8597 | REAL U,DF,DDF,r,rr,temp,temp2,exp_term,energy; 2024-04-26T11:24:11,300 | ^~~ 2024-04-26T11:24:11,306 src/internal_hessian.c:8597:10: warning: unused variable ‘DF’ [-Wunused-variable] 2024-04-26T11:24:11,306 8597 | REAL U,DF,DDF,r,rr,temp,temp2,exp_term,energy; 2024-04-26T11:24:11,306 | ^~ 2024-04-26T11:24:11,312 src/internal_hessian.c:8597:8: warning: unused variable ‘U’ [-Wunused-variable] 2024-04-26T11:24:11,312 8597 | REAL U,DF,DDF,r,rr,temp,temp2,exp_term,energy; 2024-04-26T11:24:11,312 | ^ 2024-04-26T11:24:11,383 src/internal_hessian.c: In function ‘CalculateAdsorbateIntraCoulombHessian’: 2024-04-26T11:24:11,390 src/internal_hessian.c:9126:43: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:24:11,390 9126 | int i,m,NumberOfIntraCoulomb,Type,typeA,typeB,A,B; 2024-04-26T11:24:11,390 | ^~~~~ 2024-04-26T11:24:11,396 src/internal_hessian.c:9126:37: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:24:11,396 9126 | int i,m,NumberOfIntraCoulomb,Type,typeA,typeB,A,B; 2024-04-26T11:24:11,396 | ^~~~~ 2024-04-26T11:24:11,421 src/internal_hessian.c: In function ‘CalculateCationIntraCoulombHessian’: 2024-04-26T11:24:11,427 src/internal_hessian.c:9273:43: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:24:11,427 9273 | int i,m,NumberOfIntraCoulomb,Type,typeA,typeB,A,B; 2024-04-26T11:24:11,428 | ^~~~~ 2024-04-26T11:24:11,434 src/internal_hessian.c:9273:37: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:24:11,434 9273 | int i,m,NumberOfIntraCoulomb,Type,typeA,typeB,A,B; 2024-04-26T11:24:11,434 | ^~~~~ 2024-04-26T11:24:11,438 src/internal_hessian.c: In function ‘CalculateAdsorbateInversionBendForces’: 2024-04-26T11:24:11,443 src/internal_hessian.c:9426:18: warning: variable ‘rrbc’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:24:11,443 9426 | REAL rrab,rab2,rrbc,rbc2,rbd2,rad2,rac2,dot; 2024-04-26T11:24:11,444 | ^~~~ 2024-04-26T11:24:11,798 src/internal_hessian.c: In function ‘CalculateCationInversionBendForces’: 2024-04-26T11:24:11,804 src/internal_hessian.c:10140:18: warning: variable ‘rrbc’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:24:11,804 10140 | REAL rrab,rab2,rrbc,rbc2,rbd2,rad2,rac2,dot; 2024-04-26T11:24:11,804 | ^~~~ 2024-04-26T11:24:12,658 src/internal_hessian.c: In function ‘CalculateHarmonicDihedralConstraintHessian’: 2024-04-26T11:24:12,666 src/internal_hessian.c:11185:21: warning: variable ‘CosPhi2’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:24:12,666 11185 | REAL U,CosPhi,Phi,CosPhi2,SinPhi; 2024-04-26T11:24:12,667 | ^~~~~~~ 2024-04-26T11:25:09,987 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/linear_equations.c -o build/temp.linux-armv7l-cpython-39/src/linear_equations.o 2024-04-26T11:25:10,108 src/linear_equations.c: In function ‘Inverse’: 2024-04-26T11:25:10,109 src/linear_equations.c:66:12: warning: variable ‘arg2’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:25:10,109 66 | int arg1,arg2; 2024-04-26T11:25:10,109 | ^~~~ 2024-04-26T11:25:10,109 src/linear_equations.c:66:7: warning: variable ‘arg1’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:25:10,110 66 | int arg1,arg2; 2024-04-26T11:25:10,110 | ^~~~ 2024-04-26T11:25:10,898 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/main.c -o build/temp.linux-armv7l-cpython-39/src/main.o 2024-04-26T11:25:11,106 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/matrix.c -o build/temp.linux-armv7l-cpython-39/src/matrix.o 2024-04-26T11:25:11,240 src/matrix.c: In function ‘PrintRealFortranMatrix’: 2024-04-26T11:25:11,240 src/matrix.c:833:11: warning: variable ‘size’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:25:11,240 833 | int i,j,size; 2024-04-26T11:25:11,240 | ^~~~ 2024-04-26T11:25:11,262 src/matrix.c: In function ‘fpoly’: 2024-04-26T11:25:11,263 src/matrix.c:1773:12: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-04-26T11:25:11,263 1773 | for(j=1;j= num_terms) 2024-04-26T11:25:11,308 | ^~ 2024-04-26T11:25:11,310 src/matrix.c:2286:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-04-26T11:25:11,310 2286 | for( i = 0; i < mp; ++i ) 2024-04-26T11:25:11,310 | ^ 2024-04-26T11:25:11,310 src/matrix.c:2290:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-04-26T11:25:11,311 2290 | for( j = 0; j < np; ++j ) 2024-04-26T11:25:11,311 | ^ 2024-04-26T11:25:11,311 src/matrix.c:2295:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-04-26T11:25:11,312 2295 | for( i = 0; i < np; ++i ) 2024-04-26T11:25:11,312 | ^ 2024-04-26T11:25:11,312 src/matrix.c:2299:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-04-26T11:25:11,313 2299 | for( j = 0; j < np; ++j ) 2024-04-26T11:25:11,313 | ^ 2024-04-26T11:25:11,313 src/matrix.c:2304:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-04-26T11:25:11,313 2304 | for( i = 0; i < np; ++i ) 2024-04-26T11:25:11,314 | ^ 2024-04-26T11:25:11,315 src/matrix.c:2309:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-04-26T11:25:11,315 2309 | for( i = 0; i < np; ++i ) 2024-04-26T11:25:11,315 | ^ 2024-04-26T11:25:11,315 src/matrix.c:2312:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2024-04-26T11:25:11,316 2312 | for( j = 0; j < np; ++j ) 2024-04-26T11:25:11,316 | ^ 2024-04-26T11:25:11,318 src/matrix.c:2257:13: warning: variable ‘vm’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:25:11,318 2257 | double *vm = NULL; 2024-04-26T11:25:11,318 | ^~ 2024-04-26T11:25:16,701 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/mc_moves.c -o build/temp.linux-armv7l-cpython-39/src/mc_moves.o 2024-04-26T11:25:17,168 src/mc_moves.c: In function ‘IdentityChangeAdsorbateMove’: 2024-04-26T11:25:17,172 src/mc_moves.c:6154:20: warning: unused variable ‘type’ [-Wunused-variable] 2024-04-26T11:25:17,172 6154 | int i,d,nr_atoms,type; 2024-04-26T11:25:17,172 | ^~~~ 2024-04-26T11:25:17,176 src/mc_moves.c:6154:11: warning: unused variable ‘nr_atoms’ [-Wunused-variable] 2024-04-26T11:25:17,176 6154 | int i,d,nr_atoms,type; 2024-04-26T11:25:17,176 | ^~~~~~~~ 2024-04-26T11:25:17,188 src/mc_moves.c: In function ‘IdentityChangeCationMove’: 2024-04-26T11:25:17,192 src/mc_moves.c:6455:20: warning: unused variable ‘type’ [-Wunused-variable] 2024-04-26T11:25:17,192 6455 | int i,d,nr_atoms,type; 2024-04-26T11:25:17,193 | ^~~~ 2024-04-26T11:25:17,196 src/mc_moves.c:6455:11: warning: unused variable ‘nr_atoms’ [-Wunused-variable] 2024-04-26T11:25:17,196 6455 | int i,d,nr_atoms,type; 2024-04-26T11:25:17,197 | ^~~~~~~~ 2024-04-26T11:25:17,289 src/mc_moves.c: In function ‘VolumeMove’: 2024-04-26T11:25:17,294 src/mc_moves.c:7932:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:25:17,294 7932 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2024-04-26T11:25:17,294 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:25:17,328 src/mc_moves.c: In function ‘BoxShapeChangeMove’: 2024-04-26T11:25:17,334 src/mc_moves.c:8443:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:25:17,334 8443 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2024-04-26T11:25:17,334 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:25:17,344 src/mc_moves.c: In function ‘ParallelTemperingMove’: 2024-04-26T11:25:17,349 src/mc_moves.c:9041:25: warning: variable ‘PartialFugacityB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:25:17,349 9041 | REAL PartialFugacityA,PartialFugacityB; 2024-04-26T11:25:17,350 | ^~~~~~~~~~~~~~~~ 2024-04-26T11:25:17,355 src/mc_moves.c:9041:8: warning: variable ‘PartialFugacityA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:25:17,355 9041 | REAL PartialFugacityA,PartialFugacityB; 2024-04-26T11:25:17,355 | ^~~~~~~~~~~~~~~~ 2024-04-26T11:25:17,399 src/mc_moves.c: In function ‘ChiralInversionMove’: 2024-04-26T11:25:17,405 src/mc_moves.c:9804:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:25:17,405 9804 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2024-04-26T11:25:17,405 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:25:17,749 src/mc_moves.c: In function ‘HybridNVEMove’: 2024-04-26T11:25:17,758 src/mc_moves.c:13405:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:25:17,759 13405 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2024-04-26T11:25:17,759 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:25:17,824 src/mc_moves.c: In function ‘HybridNPHMove’: 2024-04-26T11:25:17,833 src/mc_moves.c:13959:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:25:17,833 13959 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2024-04-26T11:25:17,834 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:25:17,907 src/mc_moves.c: In function ‘HybridNPHPRMove’: 2024-04-26T11:25:17,917 src/mc_moves.c:14504:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:25:17,918 14504 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2024-04-26T11:25:17,918 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:25:17,970 src/mc_moves.c: In function ‘CFWangLandauIteration’: 2024-04-26T11:25:17,980 src/mc_moves.c:15099:17: warning: variable ‘MostProbableIndex’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:25:17,980 15099 | int condition,MostProbableIndex; 2024-04-26T11:25:17,980 | ^~~~~~~~~~~~~~~~~ 2024-04-26T11:25:18,788 src/mc_moves.c: In function ‘CFGibbsParticleTransferAdsorbateMove’: 2024-04-26T11:25:18,801 src/mc_moves.c:18867:8: warning: variable ‘Rosen’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:25:18,801 18867 | REAL Rosen,RosenbluthNew,RosenbluthOld; 2024-04-26T11:25:18,801 | ^~~~~ 2024-04-26T11:25:19,080 src/mc_moves.c: In function ‘CFGibbsParticleTransferCationMove’: 2024-04-26T11:25:19,094 src/mc_moves.c:20381:8: warning: variable ‘PartialFugacity’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:25:19,095 20381 | REAL PartialFugacity,UTailDelta[2]; 2024-04-26T11:25:19,095 | ^~~~~~~~~~~~~~~ 2024-04-26T11:25:19,463 src/mc_moves.c: In function ‘CBCFGibbsParticleTransferAdsorbateMove’: 2024-04-26T11:25:19,478 src/mc_moves.c:21956:8: warning: variable ‘Rosen’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:25:19,478 21956 | REAL Rosen,RosenbluthNewA,RosenbluthOldA,RosenbluthNewB,RosenbluthOldB; 2024-04-26T11:25:19,478 | ^~~~~ 2024-04-26T11:25:19,851 src/mc_moves.c: In function ‘CBCFGibbsParticleTransferCationMove’: 2024-04-26T11:25:19,872 src/mc_moves.c:23779:8: warning: variable ‘Rosen’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:25:19,872 23779 | REAL Rosen,RosenbluthNewA,RosenbluthOldA,RosenbluthNewB,RosenbluthOldB; 2024-04-26T11:25:19,872 | ^~~~~ 2024-04-26T11:25:20,082 src/mc_moves.c: In function ‘CFCRXMCLambdaChangeMove’: 2024-04-26T11:25:20,097 src/mc_moves.c:26079:58: warning: implicit declaration of function ‘numberOfReactionMoleculesForComponent’ [-Wimplicit-function-declaration] 2024-04-26T11:25:20,097 26079 | N=Components[i].NumberOfMolecules[CurrentSystem]-numberOfReactionMoleculesForComponent(i); 2024-04-26T11:25:20,097 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:25:20,163 src/mc_moves.c: In function ‘CFRXMCWangLandauIteration’: 2024-04-26T11:25:20,181 src/mc_moves.c:26587:17: warning: variable ‘MostProbableIndex’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:25:20,181 26587 | int condition,MostProbableIndex; 2024-04-26T11:25:20,182 | ^~~~~~~~~~~~~~~~~ 2024-04-26T11:25:20,200 src/mc_moves.c:26586:7: warning: unused variable ‘FractionalMolecule’ [-Wunused-variable] 2024-04-26T11:25:20,200 26586 | int FractionalMolecule,index; 2024-04-26T11:25:20,200 | ^~~~~~~~~~~~~~~~~~ 2024-04-26T11:25:20,240 src/mc_moves.c: In function ‘PrintRXMCStatistics’: 2024-04-26T11:25:20,258 src/mc_moves.c:26708:9: warning: unused variable ‘j’ [-Wunused-variable] 2024-04-26T11:25:20,259 26708 | int i,j,k; 2024-04-26T11:25:20,259 | ^ 2024-04-26T11:25:20,288 src/mc_moves.c: In function ‘AllocateMCMovesMemory’: 2024-04-26T11:25:20,307 src/mc_moves.c:27007:11: warning: unused variable ‘k’ [-Wunused-variable] 2024-04-26T11:25:20,308 27007 | int i,j,k; 2024-04-26T11:25:20,308 | ^ 2024-04-26T11:25:52,764 src/mc_moves.c: In function ‘GibbsParticleTransferAdsorbateMove’: 2024-04-26T11:25:52,772 src/mc_moves.c:11315:37: warning: ‘NetChargeDeltaOld’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:25:52,772 11315 | NetChargeSystem[CurrentSystem]+=NetChargeDeltaOld; 2024-04-26T11:25:52,772 | ^~ 2024-04-26T11:25:52,779 src/mc_moves.c:11193:37: warning: ‘NetChargeDeltaNew’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:25:52,779 11193 | NetChargeSystem[CurrentSystem]+=NetChargeDeltaNew; 2024-04-26T11:25:52,780 | ^~ 2024-04-26T11:25:53,693 src/mc_moves.c: In function ‘GibbsParticleTransferCationMove’: 2024-04-26T11:25:53,699 src/mc_moves.c:11708:37: warning: ‘NetChargeDeltaOld’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:25:53,699 11708 | NetChargeSystem[CurrentSystem]+=NetChargeDeltaOld; 2024-04-26T11:25:53,700 | ^~ 2024-04-26T11:25:53,707 src/mc_moves.c:11586:37: warning: ‘NetChargeDeltaNew’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:25:53,707 11586 | NetChargeSystem[CurrentSystem]+=NetChargeDeltaNew; 2024-04-26T11:25:53,707 | ^~ 2024-04-26T11:26:03,744 src/mc_moves.c: In function ‘CFSwapLambaAdsorbateMove’: 2024-04-26T11:26:03,753 src/mc_moves.c:15841:111: warning: ‘UAdsorbateIntraBondDipoleBondDipoleFirstStep’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:26:03,754 15841 | UTotal[CurrentSystem]-=UAdsorbateIntraChargeChargeFirstStep+UAdsorbateIntraChargeBondDipoleFirstStep+UAdsorbateIntraBondDipoleBondDipoleFirstStep; 2024-04-26T11:26:03,754 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:26:03,764 src/mc_moves.c:15841:70: warning: ‘UAdsorbateIntraChargeBondDipoleFirstStep’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:26:03,764 15841 | UTotal[CurrentSystem]-=UAdsorbateIntraChargeChargeFirstStep+UAdsorbateIntraChargeBondDipoleFirstStep+UAdsorbateIntraBondDipoleBondDipoleFirstStep; 2024-04-26T11:26:03,764 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:26:03,764 src/mc_moves.c:15841:70: warning: ‘UAdsorbateIntraChargeChargeFirstStep’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:26:03,775 src/mc_moves.c:15788:39: warning: ‘UTailDelta’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:26:03,775 15788 | UTailCorrection[CurrentSystem]+=UTailDelta; 2024-04-26T11:26:03,775 | ^~ 2024-04-26T11:26:05,042 src/mc_moves.c: In function ‘CFSwapLambaCationMove’: 2024-04-26T11:26:05,047 src/mc_moves.c:16601:105: warning: ‘UCationIntraBondDipoleBondDipoleFirstStep’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:26:05,048 16601 | UTotal[CurrentSystem]-=UCationIntraChargeChargeFirstStep+UCationIntraChargeBondDipoleFirstStep+UCationIntraBondDipoleBondDipoleFirstStep; 2024-04-26T11:26:05,048 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:26:05,059 src/mc_moves.c:16601:67: warning: ‘UCationIntraChargeBondDipoleFirstStep’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:26:05,059 16601 | UTotal[CurrentSystem]-=UCationIntraChargeChargeFirstStep+UCationIntraChargeBondDipoleFirstStep+UCationIntraBondDipoleBondDipoleFirstStep; 2024-04-26T11:26:05,060 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:26:05,060 src/mc_moves.c:16601:67: warning: ‘UCationIntraChargeChargeFirstStep’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:26:05,071 src/mc_moves.c:16548:39: warning: ‘UTailDelta’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:26:05,072 16548 | UTailCorrection[CurrentSystem]+=UTailDelta; 2024-04-26T11:26:05,072 | ^~ 2024-04-26T11:26:32,414 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/minimization.c -o build/temp.linux-armv7l-cpython-39/src/minimization.o 2024-04-26T11:26:32,678 src/minimization.c: In function ‘ConvertHessianFromCartesianToFractional’: 2024-04-26T11:26:32,679 src/minimization.c:2981:16: warning: unused variable ‘TypeMolB’ [-Wunused-variable] 2024-04-26T11:26:32,679 2981 | int TypeMolA,TypeMolB; 2024-04-26T11:26:32,680 | ^~~~~~~~ 2024-04-26T11:26:32,681 src/minimization.c:2981:7: warning: unused variable ‘TypeMolA’ [-Wunused-variable] 2024-04-26T11:26:32,681 2981 | int TypeMolA,TypeMolB; 2024-04-26T11:26:32,681 | ^~~~~~~~ 2024-04-26T11:26:32,683 src/minimization.c:2980:23: warning: unused variable ‘tempBox’ [-Wunused-variable] 2024-04-26T11:26:32,683 2980 | REAL_MATRIX3x3 H,fH,tempBox; 2024-04-26T11:26:32,683 | ^~~~~~~ 2024-04-26T11:26:32,684 src/minimization.c:2980:20: warning: unused variable ‘fH’ [-Wunused-variable] 2024-04-26T11:26:32,684 2980 | REAL_MATRIX3x3 H,fH,tempBox; 2024-04-26T11:26:32,684 | ^~ 2024-04-26T11:26:32,686 src/minimization.c:2980:18: warning: unused variable ‘H’ [-Wunused-variable] 2024-04-26T11:26:32,686 2980 | REAL_MATRIX3x3 H,fH,tempBox; 2024-04-26T11:26:32,686 | ^ 2024-04-26T11:26:32,687 src/minimization.c:2979:15: warning: unused variable ‘fgrad’ [-Wunused-variable] 2024-04-26T11:26:32,687 2979 | VECTOR grad,fgrad; 2024-04-26T11:26:32,688 | ^~~~~ 2024-04-26T11:26:32,689 src/minimization.c:2979:10: warning: unused variable ‘grad’ [-Wunused-variable] 2024-04-26T11:26:32,689 2979 | VECTOR grad,fgrad; 2024-04-26T11:26:32,689 | ^~~~ 2024-04-26T11:26:32,690 src/minimization.c:2978:13: warning: unused variable ‘Type’ [-Wunused-variable] 2024-04-26T11:26:32,691 2978 | int m,l,A,Type; 2024-04-26T11:26:32,691 | ^~~~ 2024-04-26T11:26:32,692 src/minimization.c:2978:11: warning: unused variable ‘A’ [-Wunused-variable] 2024-04-26T11:26:32,692 2978 | int m,l,A,Type; 2024-04-26T11:26:32,692 | ^ 2024-04-26T11:26:32,694 src/minimization.c:2978:9: warning: unused variable ‘l’ [-Wunused-variable] 2024-04-26T11:26:32,694 2978 | int m,l,A,Type; 2024-04-26T11:26:32,694 | ^ 2024-04-26T11:26:32,695 src/minimization.c:2978:7: warning: unused variable ‘m’ [-Wunused-variable] 2024-04-26T11:26:32,695 2978 | int m,l,A,Type; 2024-04-26T11:26:32,695 | ^ 2024-04-26T11:26:32,697 src/minimization.c:2977:31: warning: unused variable ‘index’ [-Wunused-variable] 2024-04-26T11:26:32,697 2977 | INT_VECTOR3 index_i,index_j,index; 2024-04-26T11:26:32,697 | ^~~~~ 2024-04-26T11:26:32,698 src/minimization.c:2977:23: warning: unused variable ‘index_j’ [-Wunused-variable] 2024-04-26T11:26:32,698 2977 | INT_VECTOR3 index_i,index_j,index; 2024-04-26T11:26:32,699 | ^~~~~~~ 2024-04-26T11:26:32,700 src/minimization.c:2977:15: warning: unused variable ‘index_i’ [-Wunused-variable] 2024-04-26T11:26:32,700 2977 | INT_VECTOR3 index_i,index_j,index; 2024-04-26T11:26:32,700 | ^~~~~~~ 2024-04-26T11:26:32,702 src/minimization.c:2976:10: warning: unused variable ‘f2’ [-Wunused-variable] 2024-04-26T11:26:32,702 2976 | int f1,f2; 2024-04-26T11:26:32,702 | ^~ 2024-04-26T11:26:32,703 src/minimization.c:2976:7: warning: unused variable ‘f1’ [-Wunused-variable] 2024-04-26T11:26:32,703 2976 | int f1,f2; 2024-04-26T11:26:32,703 | ^~ 2024-04-26T11:26:32,705 src/minimization.c:2975:25: warning: unused variable ‘j’ [-Wunused-variable] 2024-04-26T11:26:32,705 2975 | int I,J,ig,jg,ia,ja,i,j; 2024-04-26T11:26:32,705 | ^ 2024-04-26T11:26:32,706 src/minimization.c:2975:23: warning: unused variable ‘i’ [-Wunused-variable] 2024-04-26T11:26:32,706 2975 | int I,J,ig,jg,ia,ja,i,j; 2024-04-26T11:26:32,707 | ^ 2024-04-26T11:26:32,708 src/minimization.c:2975:20: warning: unused variable ‘ja’ [-Wunused-variable] 2024-04-26T11:26:32,708 2975 | int I,J,ig,jg,ia,ja,i,j; 2024-04-26T11:26:32,708 | ^~ 2024-04-26T11:26:32,710 src/minimization.c:2975:17: warning: unused variable ‘ia’ [-Wunused-variable] 2024-04-26T11:26:32,710 2975 | int I,J,ig,jg,ia,ja,i,j; 2024-04-26T11:26:32,710 | ^~ 2024-04-26T11:26:32,711 src/minimization.c:2975:14: warning: unused variable ‘jg’ [-Wunused-variable] 2024-04-26T11:26:32,711 2975 | int I,J,ig,jg,ia,ja,i,j; 2024-04-26T11:26:32,711 | ^~ 2024-04-26T11:26:32,713 src/minimization.c:2975:11: warning: unused variable ‘ig’ [-Wunused-variable] 2024-04-26T11:26:32,713 2975 | int I,J,ig,jg,ia,ja,i,j; 2024-04-26T11:26:32,713 | ^~ 2024-04-26T11:26:32,714 src/minimization.c:2975:9: warning: unused variable ‘J’ [-Wunused-variable] 2024-04-26T11:26:32,714 2975 | int I,J,ig,jg,ia,ja,i,j; 2024-04-26T11:26:32,715 | ^ 2024-04-26T11:26:32,716 src/minimization.c:2975:7: warning: unused variable ‘I’ [-Wunused-variable] 2024-04-26T11:26:32,716 2975 | int I,J,ig,jg,ia,ja,i,j; 2024-04-26T11:26:32,716 | ^ 2024-04-26T11:26:32,722 src/minimization.c: In function ‘CalculateBakerSaddlePointStepSize’: 2024-04-26T11:26:32,724 src/minimization.c:3704:30: warning: variable ‘Lambda2’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:26:32,725 3704 | REAL DXSIZE,Lambda,Lambda1,Lambda2; 2024-04-26T11:26:32,725 | ^~~~~~~ 2024-04-26T11:26:32,726 src/minimization.c:3704:22: warning: variable ‘Lambda1’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:26:32,727 3704 | REAL DXSIZE,Lambda,Lambda1,Lambda2; 2024-04-26T11:26:32,727 | ^~~~~~~ 2024-04-26T11:26:32,773 src/minimization.c: In function ‘BakerMinimization’: 2024-04-26T11:26:32,775 src/minimization.c:4129:8: warning: variable ‘StepSizePrevious’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:26:32,775 4129 | REAL StepSizePrevious,StepSize; 2024-04-26T11:26:32,775 | ^~~~~~~~~~~~~~~~ 2024-04-26T11:26:32,798 src/minimization.c: In function ‘NewtonRaphsonMinimization’: 2024-04-26T11:26:32,801 src/minimization.c:4554:8: warning: variable ‘StepSizePrevious’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:26:32,801 4554 | REAL StepSizePrevious,StepSize; 2024-04-26T11:26:32,801 | ^~~~~~~~~~~~~~~~ 2024-04-26T11:26:32,831 src/minimization.c: In function ‘ComputeElasticConstantsAfterMinimization’: 2024-04-26T11:26:32,834 src/minimization.c:4935:19: warning: variable ‘EigenValues’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:26:32,834 4935 | REAL *Gradient,*EigenValues; 2024-04-26T11:26:32,834 | ^~~~~~~~~~~ 2024-04-26T11:26:42,489 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/minimization_simulation.c -o build/temp.linux-armv7l-cpython-39/src/minimization_simulation.o 2024-04-26T11:26:42,655 src/minimization_simulation.c: In function ‘MinimalizationSimulation’: 2024-04-26T11:26:42,655 src/minimization_simulation.c:60:14: warning: variable ‘ReferenceEnergy’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:26:42,655 60 | REAL Drift,ReferenceEnergy,ran; 2024-04-26T11:26:42,656 | ^~~~~~~~~~~~~~~ 2024-04-26T11:26:42,656 src/minimization_simulation.c:60:8: warning: variable ‘Drift’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:26:42,656 60 | REAL Drift,ReferenceEnergy,ran; 2024-04-26T11:26:42,656 | ^~~~~ 2024-04-26T11:26:42,969 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/molecular_dynamics.c -o build/temp.linux-armv7l-cpython-39/src/molecular_dynamics.o 2024-04-26T11:26:43,703 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/molecule.c -o build/temp.linux-armv7l-cpython-39/src/molecule.o 2024-04-26T11:26:43,953 src/molecule.c: In function ‘ReadComponentDefinition’: 2024-04-26T11:26:43,953 src/molecule.c:1030:7: warning: variable ‘atom_nr’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:26:43,953 1030 | int atom_nr; 2024-04-26T11:26:43,953 | ^~~~~~~ 2024-04-26T11:26:46,191 src/molecule.c: In function ‘ReadPseudoAtomsDefinitions’: 2024-04-26T11:26:46,191 src/molecule.c:515:47: warning: ‘%s’ directive writing up to 255 bytes into a region of size 232 [-Wformat-overflow=] 2024-04-26T11:26:46,191 515 | sprintf(buffer,"%s/share/raspa/forcefield/%s/pseudo_atoms.def",RASPA_DIRECTORY,ForceField); 2024-04-26T11:26:46,191 | ^~ ~~~~~~~~~~ 2024-04-26T11:26:46,191 src/molecule.c:515:5: note: ‘sprintf’ output 42 or more bytes (assuming 297) into a destination of size 256 2024-04-26T11:26:46,192 515 | sprintf(buffer,"%s/share/raspa/forcefield/%s/pseudo_atoms.def",RASPA_DIRECTORY,ForceField); 2024-04-26T11:26:46,192 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:26:49,999 src/molecule.c: In function ‘ReadBiasingProfile’: 2024-04-26T11:26:50,002 src/molecule.c:5571:35: warning: ‘%s’ directive writing up to 255 bytes into a region of size 242 [-Wformat-overflow=] 2024-04-26T11:26:50,002 5571 | sprintf(buffer,"BiasingSpline_%s_%d.dat",Components[comp].Name,comp); 2024-04-26T11:26:50,002 | ^~ 2024-04-26T11:26:50,005 src/molecule.c:5571:5: note: ‘sprintf’ output between 21 and 286 bytes into a destination of size 256 2024-04-26T11:26:50,006 5571 | sprintf(buffer,"BiasingSpline_%s_%d.dat",Components[comp].Name,comp); 2024-04-26T11:26:50,006 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:26:50,742 src/molecule.c: In function ‘ReadComponentDefinition’: 2024-04-26T11:26:50,742 src/molecule.c:1047:21: warning: ‘.def’ directive writing 4 bytes into a region of size between 1 and 256 [-Wformat-overflow=] 2024-04-26T11:26:50,742 1047 | sprintf(buffer,"%s.def",Components[comp].Name); 2024-04-26T11:26:50,742 | ^~~~ 2024-04-26T11:26:50,743 src/molecule.c:1047:3: note: ‘sprintf’ output between 5 and 260 bytes into a destination of size 256 2024-04-26T11:26:50,743 1047 | sprintf(buffer,"%s.def",Components[comp].Name); 2024-04-26T11:26:50,743 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:26:50,743 src/molecule.c:1050:46: warning: ‘%s’ directive writing up to 255 bytes into a region of size 233 [-Wformat-overflow=] 2024-04-26T11:26:50,743 1050 | sprintf(buffer,"%s/share/raspa/molecules/%s/%s.%s", 2024-04-26T11:26:50,744 | ^~ 2024-04-26T11:26:50,744 src/molecule.c:1050:5: note: ‘sprintf’ output 29 or more bytes (assuming 539) into a destination of size 256 2024-04-26T11:26:50,744 1050 | sprintf(buffer,"%s/share/raspa/molecules/%s/%s.%s", 2024-04-26T11:26:50,744 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:26:50,744 1051 | RASPA_DIRECTORY, 2024-04-26T11:26:50,744 | ~~~~~~~~~~~~~~~~ 2024-04-26T11:26:50,745 1052 | Components[comp].MoleculeDefinition, 2024-04-26T11:26:50,745 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:26:50,745 1053 | Components[comp].Name, 2024-04-26T11:26:50,745 | ~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:26:50,745 1054 | "def"); 2024-04-26T11:26:50,745 | ~~~~~~ 2024-04-26T11:26:55,536 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/molecule_properties.c -o build/temp.linux-armv7l-cpython-39/src/molecule_properties.o 2024-04-26T11:26:56,302 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/monte_carlo.c -o build/temp.linux-armv7l-cpython-39/src/monte_carlo.o 2024-04-26T11:27:00,220 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/movies.c -o build/temp.linux-armv7l-cpython-39/src/movies.o 2024-04-26T11:27:00,404 src/movies.c: In function ‘WriteVTK’: 2024-04-26T11:27:00,404 src/movies.c:483:8: warning: unused variable ‘y’ [-Wunused-variable] 2024-04-26T11:27:00,404 483 | REAL y=0.5; 2024-04-26T11:27:00,404 | ^ 2024-04-26T11:27:00,404 src/movies.c:405:10: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:27:00,404 405 | VECTOR fac,pos; 2024-04-26T11:27:00,405 | ^~~ 2024-04-26T11:27:00,414 src/movies.c: In function ‘SamplePDBMovies’: 2024-04-26T11:27:00,414 src/movies.c:1361:7: warning: variable ‘index’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:27:00,415 1361 | int index; 2024-04-26T11:27:00,415 | ^~~~~ 2024-04-26T11:27:00,430 src/movies.c: In function ‘FreeEnergyProfile3D’: 2024-04-26T11:27:00,431 src/movies.c:1875:18: warning: variable ‘InverseCell’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:27:00,431 1875 | REAL_MATRIX3x3 InverseCell; 2024-04-26T11:27:00,432 | ^~~~~~~~~~~ 2024-04-26T11:27:00,432 src/movies.c:1868:13: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:27:00,432 1868 | int x,y,z,typeA,index,temp,start; 2024-04-26T11:27:00,433 | ^~~~~ 2024-04-26T11:27:00,433 src/movies.c:1867:13: warning: unused variable ‘l’ [-Wunused-variable] 2024-04-26T11:27:00,433 1867 | int i,j,k,l; 2024-04-26T11:27:00,434 | ^ 2024-04-26T11:27:00,434 src/movies.c:1867:11: warning: unused variable ‘k’ [-Wunused-variable] 2024-04-26T11:27:00,434 1867 | int i,j,k,l; 2024-04-26T11:27:00,434 | ^ 2024-04-26T11:27:00,435 src/movies.c:1867:9: warning: unused variable ‘j’ [-Wunused-variable] 2024-04-26T11:27:00,435 1867 | int i,j,k,l; 2024-04-26T11:27:00,435 | ^ 2024-04-26T11:27:01,203 src/movies.c: In function ‘WriteVTK’: 2024-04-26T11:27:01,204 src/movies.c:474:38: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 228 and 238 [-Wformat-overflow=] 2024-04-26T11:27:01,204 474 | sprintf(buffer,"VTK/System_%d/Frame%s.vtk",system,FileNameAppend); 2024-04-26T11:27:01,204 | ^~ ~~~~~~~~~~~~~~ 2024-04-26T11:27:01,204 src/movies.c:474:3: note: ‘sprintf’ output between 23 and 288 bytes into a destination of size 256 2024-04-26T11:27:01,204 474 | sprintf(buffer,"VTK/System_%d/Frame%s.vtk",system,FileNameAppend); 2024-04-26T11:27:01,204 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:27:01,207 src/movies.c:640:47: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 219 and 229 [-Wformat-overflow=] 2024-04-26T11:27:01,207 640 | sprintf(buffer,"VTK/System_%d/FrameworkAtoms%s.vtk",system,FileNameAppend); 2024-04-26T11:27:01,207 | ^~ ~~~~~~~~~~~~~~ 2024-04-26T11:27:01,207 src/movies.c:640:3: note: ‘sprintf’ output between 32 and 297 bytes into a destination of size 256 2024-04-26T11:27:01,207 640 | sprintf(buffer,"VTK/System_%d/FrameworkAtoms%s.vtk",system,FileNameAppend); 2024-04-26T11:27:01,207 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:27:01,210 src/movies.c:772:47: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 219 and 229 [-Wformat-overflow=] 2024-04-26T11:27:01,210 772 | sprintf(buffer,"VTK/System_%d/FrameworkBonds%s.vtk",system,FileNameAppend); 2024-04-26T11:27:01,210 | ^~ ~~~~~~~~~~~~~~ 2024-04-26T11:27:01,210 src/movies.c:772:3: note: ‘sprintf’ output between 32 and 297 bytes into a destination of size 256 2024-04-26T11:27:01,211 772 | sprintf(buffer,"VTK/System_%d/FrameworkBonds%s.vtk",system,FileNameAppend); 2024-04-26T11:27:01,211 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:27:01,212 src/movies.c:852:47: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 219 and 229 [-Wformat-overflow=] 2024-04-26T11:27:01,213 852 | sprintf(buffer,"VTK/System_%d/AdsorbateAtoms%s.vtk",system,FileNameAppend); 2024-04-26T11:27:01,213 | ^~ ~~~~~~~~~~~~~~ 2024-04-26T11:27:01,213 src/movies.c:852:3: note: ‘sprintf’ output between 32 and 297 bytes into a destination of size 256 2024-04-26T11:27:01,213 852 | sprintf(buffer,"VTK/System_%d/AdsorbateAtoms%s.vtk",system,FileNameAppend); 2024-04-26T11:27:01,213 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:27:01,216 src/movies.c:1028:45: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 221 and 231 [-Wformat-overflow=] 2024-04-26T11:27:01,216 1028 | sprintf(buffer,"VTK/System_%d/CationsAtoms%s.vtk",system,FileNameAppend); 2024-04-26T11:27:01,216 | ^~ ~~~~~~~~~~~~~~ 2024-04-26T11:27:01,217 src/movies.c:1028:3: note: ‘sprintf’ output between 30 and 295 bytes into a destination of size 256 2024-04-26T11:27:01,217 1028 | sprintf(buffer,"VTK/System_%d/CationsAtoms%s.vtk",system,FileNameAppend); 2024-04-26T11:27:01,217 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:27:01,220 src/movies.c:1245:46: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 217 and 237 [-Wformat-overflow=] 2024-04-26T11:27:01,220 1245 | sprintf(buffer,"VTK/System_%d/Grid_%d%s.vtk",system,l,FileNameAppend); 2024-04-26T11:27:01,220 | ^~ ~~~~~~~~~~~~~~ 2024-04-26T11:27:01,221 src/movies.c:1245:9: note: ‘sprintf’ output between 24 and 299 bytes into a destination of size 256 2024-04-26T11:27:01,221 1245 | sprintf(buffer,"VTK/System_%d/Grid_%d%s.vtk",system,l,FileNameAppend); 2024-04-26T11:27:01,221 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:27:01,222 src/movies.c:1211:46: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 217 and 237 [-Wformat-overflow=] 2024-04-26T11:27:01,222 1211 | sprintf(buffer,"VTK/System_%d/Grid_%d%s.vtk",system,l,FileNameAppend); 2024-04-26T11:27:01,222 | ^~ ~~~~~~~~~~~~~~ 2024-04-26T11:27:01,223 src/movies.c:1211:9: note: ‘sprintf’ output between 24 and 299 bytes into a destination of size 256 2024-04-26T11:27:01,223 1211 | sprintf(buffer,"VTK/System_%d/Grid_%d%s.vtk",system,l,FileNameAppend); 2024-04-26T11:27:01,223 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:27:02,664 src/movies.c: In function ‘WriteMolecule’: 2024-04-26T11:27:02,665 src/movies.c:1332:30: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 236 and 246 [-Wformat-overflow=] 2024-04-26T11:27:02,666 1332 | sprintf(buffer,"molecule_%d%s.vtk",count,FileNameAppend); 2024-04-26T11:27:02,666 | ^~ ~~~~~~~~~~~~~~ 2024-04-26T11:27:02,666 src/movies.c:1332:3: note: ‘sprintf’ output between 15 and 280 bytes into a destination of size 256 2024-04-26T11:27:02,666 1332 | sprintf(buffer,"molecule_%d%s.vtk",count,FileNameAppend); 2024-04-26T11:27:02,666 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:27:02,798 src/movies.c: In function ‘SamplePDBMovies’: 2024-04-26T11:27:02,798 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=] 2024-04-26T11:27:02,799 1554 | snprintf(AtomName,5,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2024-04-26T11:27:02,799 | ^~~ 2024-04-26T11:27:02,799 src/movies.c:1554:15: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 5 2024-04-26T11:27:02,799 1554 | snprintf(AtomName,5,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2024-04-26T11:27:02,800 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:27:02,800 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=] 2024-04-26T11:27:02,800 1555 | snprintf(Element,3,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2024-04-26T11:27:02,800 | ^~~ 2024-04-26T11:27:02,801 src/movies.c:1555:15: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 3 2024-04-26T11:27:02,801 1555 | snprintf(Element,3,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2024-04-26T11:27:02,801 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:27:02,803 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=] 2024-04-26T11:27:02,803 1594 | snprintf(AtomName,5,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2024-04-26T11:27:02,803 | ^~~ 2024-04-26T11:27:02,803 src/movies.c:1594:13: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 5 2024-04-26T11:27:02,803 1594 | snprintf(AtomName,5,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2024-04-26T11:27:02,804 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:27:02,804 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=] 2024-04-26T11:27:02,804 1595 | snprintf(Element,3,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2024-04-26T11:27:02,804 | ^~~ 2024-04-26T11:27:02,805 src/movies.c:1595:13: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 3 2024-04-26T11:27:02,805 1595 | snprintf(Element,3,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2024-04-26T11:27:02,805 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:27:02,807 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=] 2024-04-26T11:27:02,807 1630 | snprintf(AtomName,5,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2024-04-26T11:27:02,807 | ^~~ 2024-04-26T11:27:02,807 src/movies.c:1630:13: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 5 2024-04-26T11:27:02,807 1630 | snprintf(AtomName,5,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2024-04-26T11:27:02,808 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:27:02,808 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=] 2024-04-26T11:27:02,808 1631 | snprintf(Element,3,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2024-04-26T11:27:02,808 | ^~~ 2024-04-26T11:27:02,809 src/movies.c:1631:13: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 3 2024-04-26T11:27:02,809 1631 | snprintf(Element,3,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2024-04-26T11:27:02,809 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:27:03,517 src/movies.c: In function ‘FreeEnergyProfile3D’: 2024-04-26T11:27:03,518 src/movies.c:1990:53: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 217 and 227 [-Wformat-overflow=] 2024-04-26T11:27:03,518 1990 | sprintf(buffer,"VTK/System_%d/FrameworkSurface%s.vtk",CurrentSystem,FileNameAppend); 2024-04-26T11:27:03,519 | ^~ ~~~~~~~~~~~~~~ 2024-04-26T11:27:03,519 src/movies.c:1990:7: note: ‘sprintf’ output between 34 and 299 bytes into a destination of size 256 2024-04-26T11:27:03,520 1990 | sprintf(buffer,"VTK/System_%d/FrameworkSurface%s.vtk",CurrentSystem,FileNameAppend); 2024-04-26T11:27:03,520 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:27:03,899 src/movies.c: In function ‘WriteSnapshotTinker’: 2024-04-26T11:27:03,900 src/movies.c:2202:49: warning: ‘%s’ directive writing up to 255 bytes into a region of size 231 [-Wformat-overflow=] 2024-04-26T11:27:03,900 2202 | sprintf(buffer,"Tinker/System_%d/Snapshot_%s%s.txyz",CurrentSystem,string,FileNameAppend); 2024-04-26T11:27:03,900 | ^~ ~~~~~~~~~~~~~~ 2024-04-26T11:27:03,901 src/movies.c:2202:5: note: ‘sprintf’ output 31 or more bytes (assuming 286) into a destination of size 256 2024-04-26T11:27:03,902 2202 | sprintf(buffer,"Tinker/System_%d/Snapshot_%s%s.txyz",CurrentSystem,string,FileNameAppend); 2024-04-26T11:27:03,902 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:27:03,903 src/movies.c:2223:31: warning: ‘%3s’ directive writing between 3 and 31 bytes into a region of size 10 [-Wformat-overflow=] 2024-04-26T11:27:03,904 2223 | sprintf(AtomName,"%3s",PseudoAtoms[Type].PrintToPDBName); 2024-04-26T11:27:03,904 | ^~~ 2024-04-26T11:27:03,905 src/movies.c:2223:13: note: ‘sprintf’ output between 4 and 32 bytes into a destination of size 10 2024-04-26T11:27:03,905 2223 | sprintf(AtomName,"%3s",PseudoAtoms[Type].PrintToPDBName); 2024-04-26T11:27:03,905 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:27:03,907 src/movies.c:2245:29: warning: ‘%3s’ directive writing between 3 and 31 bytes into a region of size 10 [-Wformat-overflow=] 2024-04-26T11:27:03,907 2245 | sprintf(AtomName,"%3s",PseudoAtoms[Adsorbates[CurrentSystem][i].Atoms[j].Type].PrintToPDBName); 2024-04-26T11:27:03,907 | ^~~ 2024-04-26T11:27:03,908 src/movies.c:2245:11: note: ‘sprintf’ output between 4 and 32 bytes into a destination of size 10 2024-04-26T11:27:03,908 2245 | sprintf(AtomName,"%3s",PseudoAtoms[Adsorbates[CurrentSystem][i].Atoms[j].Type].PrintToPDBName); 2024-04-26T11:27:03,908 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:27:03,910 src/movies.c:2259:43: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 225 and 235 [-Wformat-overflow=] 2024-04-26T11:27:03,910 2259 | sprintf(buffer,"Tinker/System_%d/RASPA%s.key",CurrentSystem,FileNameAppend); 2024-04-26T11:27:03,910 | ^~ ~~~~~~~~~~~~~~ 2024-04-26T11:27:03,911 src/movies.c:2259:5: note: ‘sprintf’ output between 26 and 291 bytes into a destination of size 256 2024-04-26T11:27:03,911 2259 | sprintf(buffer,"Tinker/System_%d/RASPA%s.key",CurrentSystem,FileNameAppend); 2024-04-26T11:27:03,912 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:27:04,392 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/numerical.c -o build/temp.linux-armv7l-cpython-39/src/numerical.o 2024-04-26T11:27:04,564 src/numerical.c: In function ‘ComputeGradientsNumerically’: 2024-04-26T11:27:04,565 src/numerical.c:411:8: warning: variable ‘EnergyCentral’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:27:04,565 411 | REAL EnergyCentral,EnergyForward1,EnergyForward2,EnergyBackward1,EnergyBackward2; 2024-04-26T11:27:04,565 | ^~~~~~~~~~~~~ 2024-04-26T11:27:04,565 src/numerical.c:410:14: warning: variable ‘force’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:27:04,565 410 | VECTOR pos,force,derivative; 2024-04-26T11:27:04,565 | ^~~~~ 2024-04-26T11:27:04,566 src/numerical.c:409:7: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:27:04,566 409 | int type; 2024-04-26T11:27:04,566 | ^~~~ 2024-04-26T11:27:04,652 src/numerical.c: In function ‘ComputeStrainDerivativeNumerically’: 2024-04-26T11:27:04,653 src/numerical.c:1863:8: warning: variable ‘EnergyCentral’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:27:04,653 1863 | REAL EnergyCentral,EnergyForward1,EnergyForward2,EnergyBackward1,EnergyBackward2,det; 2024-04-26T11:27:04,653 | ^~~~~~~~~~~~~ 2024-04-26T11:27:04,702 src/numerical.c: In function ‘ComputeStrainSecondDerivativeNumerically’: 2024-04-26T11:27:04,704 src/numerical.c:2897:18: warning: variable ‘StrainDerivativeCentral’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:27:04,704 2897 | REAL_MATRIX3x3 StrainDerivativeCentral,StrainDerivativeForward1,StrainDerivativeForward2; 2024-04-26T11:27:04,704 | ^~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:27:04,717 src/numerical.c: In function ‘TestEnergyForcesHessian’: 2024-04-26T11:27:04,719 src/numerical.c:3965:14: warning: variable ‘vel’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:27:04,719 3965 | VECTOR pos,vel,force; 2024-04-26T11:27:04,719 | ^~~ 2024-04-26T11:27:04,721 src/numerical.c:3964:15: warning: variable ‘AtomType’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:27:04,721 3964 | int MolType,AtomType; 2024-04-26T11:27:04,722 | ^~~~~~~~ 2024-04-26T11:27:04,728 src/numerical.c: In function ‘TestElectricField2’: 2024-04-26T11:27:04,730 src/numerical.c:4059:8: warning: variable ‘EnergyCentral’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:27:04,730 4059 | REAL EnergyCentral,EnergyForward2,EnergyForward1,EnergyBackward1,EnergyBackward2; 2024-04-26T11:27:04,730 | ^~~~~~~~~~~~~ 2024-04-26T11:27:04,753 src/numerical.c: In function ‘ComputeCrossTermNumerically’: 2024-04-26T11:27:04,755 src/numerical.c:4455:7: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:27:04,756 4455 | int type; 2024-04-26T11:27:04,756 | ^~~~ 2024-04-26T11:27:04,766 src/numerical.c: In function ‘AddRemainderOfCrossTermNumerically’: 2024-04-26T11:27:04,769 src/numerical.c:4944:7: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:27:04,769 4944 | int type; 2024-04-26T11:27:04,769 | ^~~~ 2024-04-26T11:27:04,800 src/numerical.c: In function ‘AddRemainderOfBornTermNumerically’: 2024-04-26T11:27:04,803 src/numerical.c:5158:21: warning: unused variable ‘k3’ [-Wunused-variable] 2024-04-26T11:27:04,803 5158 | int n,ncell,k1,k2,k3; 2024-04-26T11:27:04,803 | ^~ 2024-04-26T11:27:04,806 src/numerical.c:5158:18: warning: unused variable ‘k2’ [-Wunused-variable] 2024-04-26T11:27:04,806 5158 | int n,ncell,k1,k2,k3; 2024-04-26T11:27:04,806 | ^~ 2024-04-26T11:27:04,809 src/numerical.c:5158:15: warning: unused variable ‘k1’ [-Wunused-variable] 2024-04-26T11:27:04,809 5158 | int n,ncell,k1,k2,k3; 2024-04-26T11:27:04,809 | ^~ 2024-04-26T11:27:04,812 src/numerical.c:5158:9: warning: unused variable ‘ncell’ [-Wunused-variable] 2024-04-26T11:27:04,812 5158 | int n,ncell,k1,k2,k3; 2024-04-26T11:27:04,813 | ^~~~~ 2024-04-26T11:27:04,815 src/numerical.c:5155:28: warning: unused variable ‘StoredReplicaBox’ [-Wunused-variable] 2024-04-26T11:27:04,816 5155 | REAL_MATRIX3x3 StoredBox,StoredReplicaBox,strain; 2024-04-26T11:27:04,816 | ^~~~~~~~~~~~~~~~ 2024-04-26T11:27:04,819 src/numerical.c:5153:18: warning: variable ‘StrainDerivativeCentral’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:27:04,819 5153 | REAL_MATRIX3x3 StrainDerivativeCentral,StrainDerivativeForward1,StrainDerivativeForward2; 2024-04-26T11:27:04,819 | ^~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:27:04,822 src/numerical.c:5152:8: warning: unused variable ‘det’ [-Wunused-variable] 2024-04-26T11:27:04,822 5152 | REAL det; 2024-04-26T11:27:04,822 | ^~~ 2024-04-26T11:27:04,829 src/numerical.c: In function ‘ComputeCrossTermNumericallyMinimalSet’: 2024-04-26T11:27:04,832 src/numerical.c:6290:7: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:27:04,833 6290 | int type; 2024-04-26T11:27:04,833 | ^~~~ 2024-04-26T11:27:20,722 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/output.c -o build/temp.linux-armv7l-cpython-39/src/output.o 2024-04-26T11:27:20,810 In file included from src/output.c:36: 2024-04-26T11:27:20,811 /usr/include/arm-linux-gnueabihf/sys/sysctl.h:21:2: warning: #warning "The header is deprecated and will be removed." [-Wcpp] 2024-04-26T11:27:20,811 21 | #warning "The header is deprecated and will be removed." 2024-04-26T11:27:20,811 | ^~~~~~~ 2024-04-26T11:27:20,916 src/output.c: In function ‘PrintPreSimulationStatusCurrentSystem’: 2024-04-26T11:27:20,916 src/output.c:288:5: warning: ‘sysctl’ is deprecated [-Wdeprecated-declarations] 2024-04-26T11:27:20,916 288 | sysctl(mib, 2, &buffer, &len, NULL, 0); 2024-04-26T11:27:20,916 | ^~~~~~ 2024-04-26T11:27:20,917 In file included from src/output.c:36: 2024-04-26T11:27:20,917 /usr/include/arm-linux-gnueabihf/sys/sysctl.h:70:12: note: declared here 2024-04-26T11:27:20,917 70 | extern int sysctl (int *__name, int __nlen, void *__oldval, 2024-04-26T11:27:20,917 | ^~~~~~ 2024-04-26T11:27:20,917 src/output.c:293:5: warning: ‘sysctl’ is deprecated [-Wdeprecated-declarations] 2024-04-26T11:27:20,917 293 | sysctl(mib, 2, &buffer, &len, NULL, 0); 2024-04-26T11:27:20,917 | ^~~~~~ 2024-04-26T11:27:20,917 In file included from src/output.c:36: 2024-04-26T11:27:20,918 /usr/include/arm-linux-gnueabihf/sys/sysctl.h:70:12: note: declared here 2024-04-26T11:27:20,918 70 | extern int sysctl (int *__name, int __nlen, void *__oldval, 2024-04-26T11:27:20,918 | ^~~~~~ 2024-04-26T11:27:20,918 src/output.c:298:5: warning: ‘sysctl’ is deprecated [-Wdeprecated-declarations] 2024-04-26T11:27:20,918 298 | sysctl(mib, 2, &buffer, &len, NULL, 0); 2024-04-26T11:27:20,918 | ^~~~~~ 2024-04-26T11:27:20,918 In file included from src/output.c:36: 2024-04-26T11:27:20,919 /usr/include/arm-linux-gnueabihf/sys/sysctl.h:70:12: note: declared here 2024-04-26T11:27:20,919 70 | extern int sysctl (int *__name, int __nlen, void *__oldval, 2024-04-26T11:27:20,919 | ^~~~~~ 2024-04-26T11:27:20,919 src/output.c:303:5: warning: ‘sysctl’ is deprecated [-Wdeprecated-declarations] 2024-04-26T11:27:20,919 303 | sysctl(mib, 2, &buffer, &len, NULL, 0); 2024-04-26T11:27:20,919 | ^~~~~~ 2024-04-26T11:27:20,919 In file included from src/output.c:36: 2024-04-26T11:27:20,919 /usr/include/arm-linux-gnueabihf/sys/sysctl.h:70:12: note: declared here 2024-04-26T11:27:20,920 70 | extern int sysctl (int *__name, int __nlen, void *__oldval, 2024-04-26T11:27:20,920 | ^~~~~~ 2024-04-26T11:27:22,411 src/output.c: In function ‘OpenOutputFile’: 2024-04-26T11:27:22,411 src/output.c:170:7: warning: ‘strncpy’ output may be truncated copying 250 bytes from a string of length 1023 [-Wstringop-truncation] 2024-04-26T11:27:22,411 170 | strncpy(buffer2,buffer,250); 2024-04-26T11:27:22,412 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:27:22,412 src/output.c:171:26: warning: ‘.data’ directive writing 5 bytes into a region of size between 1 and 256 [-Wformat-overflow=] 2024-04-26T11:27:22,412 171 | sprintf(buffer2,"%s.data",buffer2); 2024-04-26T11:27:22,412 | ^~~~~ 2024-04-26T11:27:22,412 src/output.c:171:7: note: ‘sprintf’ output between 6 and 261 bytes into a destination of size 256 2024-04-26T11:27:22,412 171 | sprintf(buffer2,"%s.data",buffer2); 2024-04-26T11:27:22,412 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:27:22,413 src/output.c:171:7: warning: ‘sprintf’ argument 3 overlaps destination object ‘buffer2’ [-Wrestrict] 2024-04-26T11:27:22,413 src/output.c:132:21: note: destination object referenced by ‘restrict’-qualified argument 1 was declared here 2024-04-26T11:27:22,413 132 | char buffer[1024],buffer2[256]; 2024-04-26T11:27:22,413 | ^~~~~~~ 2024-04-26T11:27:39,145 src/output.c: In function ‘ReadRestartOutput’: 2024-04-26T11:27:39,150 src/output.c:7847:5: warning: ‘strncpy’ output may be truncated copying 250 bytes from a string of length 1023 [-Wstringop-truncation] 2024-04-26T11:27:39,151 7847 | strncpy(buffer2,buffer,250); 2024-04-26T11:27:39,151 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:27:39,156 src/output.c:7848:24: warning: ‘.data’ directive writing 5 bytes into a region of size between 1 and 256 [-Wformat-overflow=] 2024-04-26T11:27:39,156 7848 | sprintf(buffer2,"%s.data",buffer2); 2024-04-26T11:27:39,156 | ^~~~~ 2024-04-26T11:27:39,161 src/output.c:7848:5: note: ‘sprintf’ output between 6 and 261 bytes into a destination of size 256 2024-04-26T11:27:39,161 7848 | sprintf(buffer2,"%s.data",buffer2); 2024-04-26T11:27:39,161 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:27:39,161 src/output.c:7848:5: warning: ‘sprintf’ argument 3 overlaps destination object ‘buffer2’ [-Wrestrict] 2024-04-26T11:27:39,166 src/output.c:7809:21: note: destination object referenced by ‘restrict’-qualified argument 1 was declared here 2024-04-26T11:27:39,167 7809 | char buffer[1024],buffer2[256]; 2024-04-26T11:27:39,167 | ^~~~~~~ 2024-04-26T11:27:39,699 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/potentials.c -o build/temp.linux-armv7l-cpython-39/src/potentials.o 2024-04-26T11:27:39,987 src/potentials.c: In function ‘ReadForceFieldDefinitions’: 2024-04-26T11:27:39,989 src/potentials.c:4246:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 2024-04-26T11:27:39,989 4246 | if(NumberOfInteractions>0) 2024-04-26T11:27:39,990 | ^~ 2024-04-26T11:27:39,991 src/potentials.c:4247:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 2024-04-26T11:27:39,992 4247 | fscanf(FilePtr,"%*[^\n]");fscanf(FilePtr,"%*c"); //skip line 2024-04-26T11:27:39,992 | ^~~~~~ 2024-04-26T11:27:40,102 src/potentials.c: In function ‘PotentialValue’: 2024-04-26T11:27:40,106 src/potentials.c:5692:46: warning: variable ‘rri16’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:27:40,106 5692 | REAL rri2,rri4,rri6,rri8,rri10,rri12,rri14,rri16; 2024-04-26T11:27:40,106 | ^~~~~ 2024-04-26T11:27:40,109 src/potentials.c:5687:10: warning: unused variable ‘U’ [-Wunused-variable] 2024-04-26T11:27:40,109 5687 | REAL r,U,rri3,rri3_2,rri5; 2024-04-26T11:27:40,109 | ^ 2024-04-26T11:27:40,149 src/potentials.c: In function ‘PotentialGradient’: 2024-04-26T11:27:40,153 src/potentials.c:7018:51: warning: variable ‘rri16’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:27:40,153 7018 | REAL rri2,rri4,rri5,rri6,rri8,rri10,rri12,rri14,rri16; 2024-04-26T11:27:40,154 | ^~~~~ 2024-04-26T11:27:40,230 src/potentials.c: In function ‘TailMolecularEnergyDifferenceRXMX’: 2024-04-26T11:27:40,237 src/potentials.c:11286:7: warning: unused variable ‘nr_atoms’ [-Wunused-variable] 2024-04-26T11:27:40,237 11286 | int nr_atoms; 2024-04-26T11:27:40,238 | ^~~~~~~~ 2024-04-26T11:27:40,295 src/potentials.c: In function ‘PotentialValueChargeBondDipole’: 2024-04-26T11:27:40,301 src/potentials.c:12026:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:27:40,301 12026 | REAL Bt0,Bt1; 2024-04-26T11:27:40,301 | ^~~ 2024-04-26T11:27:40,305 src/potentials.c: In function ‘PotentialValueBondDipoleBondDipole’: 2024-04-26T11:27:40,313 src/potentials.c:12069:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:27:40,313 12069 | REAL Bt0,Bt1,Bt2; 2024-04-26T11:27:40,313 | ^~~ 2024-04-26T11:27:40,317 src/potentials.c: In function ‘PotentialGradientChargeBondDipole’: 2024-04-26T11:27:40,323 src/potentials.c:12198:10: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:27:40,324 12198 | REAL U,Bt0,Bt1,Bt2; 2024-04-26T11:27:40,324 | ^~~ 2024-04-26T11:27:40,328 src/potentials.c: In function ‘PotentialGradientBondDipoleBondDipole’: 2024-04-26T11:27:40,334 src/potentials.c:12298:10: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:27:40,334 12298 | REAL U,Bt0,Bt1,Bt2,Bt3; 2024-04-26T11:27:40,335 | ^~~ 2024-04-26T11:27:40,338 src/potentials.c: In function ‘PotentialElectricFieldBondDipoleBondDipole’: 2024-04-26T11:27:40,345 src/potentials.c:12522:10: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:27:40,345 12522 | REAL U,Bt0,Bt1,Bt2; 2024-04-26T11:27:40,345 | ^~~ 2024-04-26T11:27:40,353 src/potentials.c: In function ‘PotentialGradientInducedDipoleInducedDipole’: 2024-04-26T11:27:40,360 src/potentials.c:12602:16: warning: unused variable ‘termB’ [-Wunused-variable] 2024-04-26T11:27:40,360 12602 | VECTOR termA,termB; 2024-04-26T11:27:40,360 | ^~~~~ 2024-04-26T11:27:40,367 src/potentials.c:12602:10: warning: unused variable ‘termA’ [-Wunused-variable] 2024-04-26T11:27:40,368 12602 | VECTOR termA,termB; 2024-04-26T11:27:40,368 | ^~~~~ 2024-04-26T11:27:40,375 src/potentials.c:12599:10: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:27:40,376 12599 | REAL U,Bt0,Bt1,Bt2,Bt3; 2024-04-26T11:27:40,376 | ^~~ 2024-04-26T11:27:46,303 src/potentials.c: In function ‘ReadForceFieldDefinitionsMixingRules’: 2024-04-26T11:27:46,306 src/potentials.c:2882:47: warning: ‘%s’ directive writing up to 255 bytes into a region of size 232 [-Wformat-overflow=] 2024-04-26T11:27:46,306 2882 | sprintf(buffer,"%s/share/raspa/forcefield/%s/force_field_mixing_rules.def",RASPA_DIRECTORY,ForceField); 2024-04-26T11:27:46,306 | ^~ ~~~~~~~~~~ 2024-04-26T11:27:46,307 src/potentials.c:2882:5: note: ‘sprintf’ output 54 or more bytes (assuming 309) into a destination of size 256 2024-04-26T11:27:46,307 2882 | sprintf(buffer,"%s/share/raspa/forcefield/%s/force_field_mixing_rules.def",RASPA_DIRECTORY,ForceField); 2024-04-26T11:27:46,308 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:27:51,832 src/potentials.c: In function ‘ReadForceFieldDefinitions’: 2024-04-26T11:27:51,835 src/potentials.c:4187:47: warning: ‘%s’ directive writing up to 255 bytes into a region of size 232 [-Wformat-overflow=] 2024-04-26T11:27:51,835 4187 | sprintf(buffer,"%s/share/raspa/forcefield/%s/force_field.def",RASPA_DIRECTORY,ForceField); 2024-04-26T11:27:51,836 | ^~ ~~~~~~~~~~ 2024-04-26T11:27:51,838 src/potentials.c:4187:5: note: ‘sprintf’ output 41 or more bytes (assuming 296) into a destination of size 256 2024-04-26T11:27:51,838 4187 | sprintf(buffer,"%s/share/raspa/forcefield/%s/force_field.def",RASPA_DIRECTORY,ForceField); 2024-04-26T11:27:51,838 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:28:01,396 src/potentials.c: In function ‘BiasingPotential’: 2024-04-26T11:28:01,402 src/potentials.c:11630:5: warning: ‘q’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:28:01,403 11630 | F=EvaluateCubicSpline(Components[i].BiasingFunction, 2024-04-26T11:28:01,403 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:28:01,403 11631 | Components[i].BiasingFunction.n, 2024-04-26T11:28:01,403 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:28:01,403 11632 | q, 2024-04-26T11:28:01,403 | ~~ 2024-04-26T11:28:01,403 11633 | Components[i].FreeEnergyXdata, 2024-04-26T11:28:01,403 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:28:01,403 11634 | Derivatives); 2024-04-26T11:28:01,404 | ~~~~~~~~~~~~ 2024-04-26T11:28:02,503 src/potentials.c: In function ‘PotentialElectricFieldBondDipoleBondDipole’: 2024-04-26T11:28:02,510 src/potentials.c:12582:36: warning: ‘U’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:28:02,510 12582 | SwitchingValueDerivative*=U/r; 2024-04-26T11:28:02,510 | ~^~ 2024-04-26T11:28:02,589 src/potentials.c: In function ‘PotentialGradientInducedDipoleInducedDipole’: 2024-04-26T11:28:02,596 src/potentials.c:12611:17: warning: ‘r’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:28:02,596 12611 | Bt1=1.0/(r*rr); 2024-04-26T11:28:02,596 | ~~^~~~ 2024-04-26T11:28:02,691 src/potentials.c: In function ‘WriteTinkerParameterFile’: 2024-04-26T11:28:02,704 src/potentials.c:12691:38: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 230 and 240 [-Wformat-overflow=] 2024-04-26T11:28:02,704 12691 | sprintf(buffer,"Tinker/System_%d/%s.prm",CurrentSystem,ForceField); 2024-04-26T11:28:02,704 | ^~ ~~~~~~~~~~ 2024-04-26T11:28:02,712 src/potentials.c:12691:5: note: ‘sprintf’ output between 21 and 286 bytes into a destination of size 256 2024-04-26T11:28:02,712 12691 | sprintf(buffer,"Tinker/System_%d/%s.prm",CurrentSystem,ForceField); 2024-04-26T11:28:02,713 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:28:02,785 src/potentials.c: In function ‘WriteTinkerKeyFile’: 2024-04-26T11:28:02,797 src/potentials.c:12762:38: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 230 and 240 [-Wformat-overflow=] 2024-04-26T11:28:02,797 12762 | sprintf(buffer,"Tinker/System_%d/%s.key",CurrentSystem,ForceField); 2024-04-26T11:28:02,797 | ^~ ~~~~~~~~~~ 2024-04-26T11:28:02,806 src/potentials.c:12762:5: note: ‘sprintf’ output between 21 and 286 bytes into a destination of size 256 2024-04-26T11:28:02,806 12762 | sprintf(buffer,"Tinker/System_%d/%s.key",CurrentSystem,ForceField); 2024-04-26T11:28:02,806 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:28:03,761 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/recrossing.c -o build/temp.linux-armv7l-cpython-39/src/recrossing.o 2024-04-26T11:28:03,929 src/recrossing.c: In function ‘BarrierRecrossing’: 2024-04-26T11:28:03,929 src/recrossing.c:482:39: warning: variable ‘TempEndB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:28:03,929 482 | REAL TempStartA,TempStartB,TempEndA,TempEndB; 2024-04-26T11:28:03,929 | ^~~~~~~~ 2024-04-26T11:28:03,929 src/recrossing.c:482:30: warning: variable ‘TempEndA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:28:03,930 482 | REAL TempStartA,TempStartB,TempEndA,TempEndB; 2024-04-26T11:28:03,930 | ^~~~~~~~ 2024-04-26T11:28:03,930 src/recrossing.c:482:19: warning: variable ‘TempStartB’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:28:03,930 482 | REAL TempStartA,TempStartB,TempEndA,TempEndB; 2024-04-26T11:28:03,931 | ^~~~~~~~~~ 2024-04-26T11:28:03,932 src/recrossing.c:482:8: warning: variable ‘TempStartA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:28:03,932 482 | REAL TempStartA,TempStartB,TempEndA,TempEndB; 2024-04-26T11:28:03,932 | ^~~~~~~~~~ 2024-04-26T11:28:04,765 src/recrossing.c:715:11: warning: ‘DistanceBToPlaneXYZ’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:28:04,765 715 | fprintf(OutputFilePtr[CurrentSystem],"Energy Conservation trajectory B: %lf %lf drift: %lf distance to plane: %lf\n", 2024-04-26T11:28:04,766 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:28:04,766 716 | (double)U0,(double)ConservedEnergy[CurrentSystem],(double)(drift/(REAL)iterations[CurrentSystem]),(double)DistanceBToPlaneXYZ); 2024-04-26T11:28:04,766 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:28:04,766 src/recrossing.c:664:11: warning: ‘DistanceAToPlaneXYZ’ may be used uninitialized in this function [-Wmaybe-uninitialized] 2024-04-26T11:28:04,766 664 | fprintf(OutputFilePtr[CurrentSystem],"Energy Conservation trajectory A: %lf %lf drift: %lf distance to plane: %lf\n", 2024-04-26T11:28:04,766 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:28:04,766 665 | (double)U0,(double)ConservedEnergy[CurrentSystem],(double)(drift/(REAL)iterations[CurrentSystem]),(double)DistanceAToPlaneXYZ); 2024-04-26T11:28:04,767 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:28:05,308 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/rigid.c -o build/temp.linux-armv7l-cpython-39/src/rigid.o 2024-04-26T11:28:05,489 src/rigid.c: In function ‘TotalAngularMomentum’: 2024-04-26T11:28:05,489 src/rigid.c:1194:7: warning: variable ‘Type’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:28:05,489 1194 | int Type; 2024-04-26T11:28:05,489 | ^~~~ 2024-04-26T11:28:05,532 src/rigid.c: In function ‘ReturnWilsonVectorsInversionBendRATTLE’: 2024-04-26T11:28:05,533 src/rigid.c:2822:8: warning: variable ‘ThetaD’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:28:05,533 2822 | REAL ThetaD,SinThetaD,CosThetaD,ChiD,CosChiD,SinChiD,TanChiD; 2024-04-26T11:28:05,533 | ^~~~~~ 2024-04-26T11:28:05,534 src/rigid.c:2821:8: warning: variable ‘ThetaC’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:28:05,535 2821 | REAL ThetaC,SinThetaC,CosThetaC,ChiC,CosChiC,SinChiC,TanChiC; 2024-04-26T11:28:05,535 | ^~~~~~ 2024-04-26T11:28:05,536 src/rigid.c:2820:8: warning: variable ‘ThetaA’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:28:05,536 2820 | REAL ThetaA,SinThetaA,CosThetaA,ChiA,CosChiA,SinChiA,TanChiA; 2024-04-26T11:28:05,536 | ^~~~~~ 2024-04-26T11:28:05,620 src/rigid.c: In function ‘RattleStageTwo’: 2024-04-26T11:28:05,623 src/rigid.c:5380:8: warning: variable ‘ConstraintValue’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:28:05,623 5380 | REAL ConstraintValue; 2024-04-26T11:28:05,623 | ^~~~~~~~~~~~~~~ 2024-04-26T11:28:20,072 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/run.c -o build/temp.linux-armv7l-cpython-39/src/run.o 2024-04-26T11:28:20,225 src/run.c:64:13: warning: ‘STREAM’ initialized and declared ‘extern’ 2024-04-26T11:28:20,225 64 | extern bool STREAM = false; 2024-04-26T11:28:20,225 | ^~~~~~ 2024-04-26T11:28:20,225 src/run.c:65:14: warning: ‘INPUT_CRYSTAL’ initialized and declared ‘extern’ 2024-04-26T11:28:20,226 65 | extern char *INPUT_CRYSTAL = NULL; 2024-04-26T11:28:20,226 | ^~~~~~~~~~~~~ 2024-04-26T11:28:20,226 src/run.c:66:14: warning: ‘PORE_SIZE_DISTRIBUTION_OUTPUT’ initialized and declared ‘extern’ 2024-04-26T11:28:20,226 66 | extern char *PORE_SIZE_DISTRIBUTION_OUTPUT = NULL; 2024-04-26T11:28:20,226 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:28:20,226 src/run.c:67:15: warning: ‘PORE_SIZE_DISTRIBUTION_OUTPUT_SIZE’ initialized and declared ‘extern’ 2024-04-26T11:28:20,226 67 | extern size_t PORE_SIZE_DISTRIBUTION_OUTPUT_SIZE = NULL; 2024-04-26T11:28:20,226 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2024-04-26T11:28:20,227 src/run.c:67:52: warning: initialization of ‘size_t’ {aka ‘unsigned int’} from ‘void *’ makes integer from pointer without a cast [-Wint-conversion] 2024-04-26T11:28:20,227 67 | extern size_t PORE_SIZE_DISTRIBUTION_OUTPUT_SIZE = NULL; 2024-04-26T11:28:20,227 | ^~~~ 2024-04-26T11:28:20,227 src/run.c:68:15: warning: ‘FILE_CONTENTS’ initialized and declared ‘extern’ 2024-04-26T11:28:20,227 68 | extern char **FILE_CONTENTS = NULL; 2024-04-26T11:28:20,227 | ^~~~~~~~~~~~~ 2024-04-26T11:28:20,227 src/run.c:69:16: warning: ‘FILE_SIZES’ initialized and declared ‘extern’ 2024-04-26T11:28:20,228 69 | extern size_t *FILE_SIZES = NULL; 2024-04-26T11:28:20,228 | ^~~~~~~~~~ 2024-04-26T11:28:20,228 src/run.c: In function ‘run’: 2024-04-26T11:28:20,229 src/run.c:79:25: warning: unused variable ‘temp’ [-Wunused-variable] 2024-04-26T11:28:20,229 79 | char *output = NULL, *temp = NULL, *delimiter = NULL; 2024-04-26T11:28:20,230 | ^~~~ 2024-04-26T11:28:20,499 arm-linux-gnueabihf-gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -ffile-prefix-map=/python3.9-3.9.2=. -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.9 -c src/sample.c -o build/temp.linux-armv7l-cpython-39/src/sample.o 2024-04-26T11:28:20,735 src/sample.c: In function ‘SamplePositionHistogram’: 2024-04-26T11:28:20,736 src/sample.c:1291:21: warning: variable ‘drift’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:28:20,736 1291 | VECTOR pos,s,fcom,drift; 2024-04-26T11:28:20,736 | ^~~~~ 2024-04-26T11:28:20,764 src/sample.c: In function ‘SampleFreeEnergyProfile’: 2024-04-26T11:28:20,765 src/sample.c:2594:8: warning: unused variable ‘UDeltaPolarization’ [-Wunused-variable] 2024-04-26T11:28:20,766 2594 | REAL UDeltaPolarization; 2024-04-26T11:28:20,766 | ^~~~~~~~~~~~~~~~~~ 2024-04-26T11:28:20,767 src/sample.c:2587:14: warning: variable ‘drift’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:28:20,767 2587 | VECTOR A,C,drift,fcom; 2024-04-26T11:28:20,767 | ^~~~~ 2024-04-26T11:28:20,768 src/sample.c:2586:14: warning: variable ‘IdealGasRosenBluth’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:28:20,768 2586 | REAL value,IdealGasRosenBluth,error; 2024-04-26T11:28:20,768 | ^~~~~~~~~~~~~~~~~~ 2024-04-26T11:28:20,779 src/sample.c: In function ‘SamplePoreSizeDistribution’: 2024-04-26T11:28:20,781 src/sample.c:3394:8: warning: unused variable ‘temp’ [-Wunused-variable] 2024-04-26T11:28:20,781 3394 | REAL temp,deriv; 2024-04-26T11:28:20,781 | ^~~~ 2024-04-26T11:28:21,040 src/sample.c: In function ‘SampleRotationalVelocityAutoCorrelationFunctionOrderN’: 2024-04-26T11:28:21,045 src/sample.c:7396:16: warning: variable ‘drift’ set but not used [-Wunused-but-set-variable] 2024-04-26T11:28:21,045 7396 | VECTOR value,drift; 2024-04-26T11:28:21,045 | ^~~~~ 2024-04-26T11:28:21,046 src/sample.c: In function ‘GetOrientationalVectorAdsorbates’: 2024-04-26T11:28:21,050 src/sample.c:8045:14: warning: unused variable ‘t’ [-Wunused-variable] 2024-04-26T11:28:21,050 8045 | VECTOR com,t; 2024-04-26T11:28:21,050 | ^ 2024-04-26T11:28:21,055 src/sample.c:8045:10: warning: unused variable ‘com’ [-Wunused-variable] 2024-04-26T11:28:21,055 8045 | VECTOR com,t; 2024-04-26T11:28:21,055 | ^~~ 2024-04-26T11:28:21,056 src/sample.c: In function ‘GetOrientationalVectorCations’: 2024-04-26T11:28:21,060 src/sample.c:8083:14: warning: unused variable ‘t’ [-Wunused-variable] 2024-04-26T11:28:21,060 8083 | VECTOR com,t; 2024-04-26T11:28:21,060 | ^ 2024-04-26T11:28:21,065 src/sample.c:8083:10: warning: unused variable ‘com’ [-Wunused-variable] 2024-04-26T11:28:21,065 8083 | VECTOR com,t; 2024-04-26T11:28:21,065 | ^~~ 2024-04-26T11:28:21,080 src/sample.c: In function ‘BondOrientation’: 2024-04-26T11:28:21,084 src/sample.c:8315:16: warning: unused variable ‘e3’ [-Wunused-variable] 2024-04-26T11:28:21,084 8315 | VECTOR e1,e2,e3; 2024-04-26T11:28:21,084 | ^~ 2024-04-26T11:28:21,089 src/sample.c:8315:13: warning: unused variable ‘e2’ [-Wunused-variable] 2024-04-26T11:28:21,089 8315 | VECTOR e1,e2,e3; 2024-04-26T11:28:21,089 | ^~ 2024-04-26T11:28:21,094 src/sample.c:8315:10: warning: unused variable ‘e1’ [-Wunused-variable] 2024-04-26T11:28:21,094 8315 | VECTOR e1,e2,e3; 2024-04-26T11:28:21,094 | ^~ 2024-04-26T11:28:21,099 src/sample.c:8313:19: warning: unused variable ‘factor’ [-Wunused-variable] 2024-04-26T11:28:21,099 8313 | VECTOR CosTheta,factor; 2024-04-26T11:28:21,100 | ^~~~~~ 2024-04-26T11:28:21,104 src/sample.c:8313:10: warning: unused variable ‘CosTheta’ [-Wunused-variable] 2024-04-26T11:28:21,105 8313 | VECTOR CosTheta,factor; 2024-04-26T11:28:21,105 | ^~~~~~~~ 2024-04-26T11:28:21,109 src/sample.c:8312:20: warning: unused variable ‘dr’ [-Wunused-variable] 2024-04-26T11:28:21,110 8312 | VECTOR posA,posB,dr; 2024-04-26T11:28:21,110 | ^~ 2024-04-26T11:28:21,131 src/sample.c: In function ‘SampleBondOrientationAutoCorrelationFunctionOrderN’: 2024-04-26T11:28:21,136 src/sample.c:8361:13: warning: unused variable ‘typeB’ [-Wunused-variable] 2024-04-26T11:28:21,136 8361 | int typeA,typeB; 2024-04-26T11:28:21,136 | ^~~~~ 2024-04-26T11:28:21,141 src/sample.c:8361:7: warning: unused variable ‘typeA’ [-Wunused-variable] 2024-04-26T11:28:21,141 8361 | int typeA,typeB; 2024-04-26T11:28:21,141 | ^~~~~ 2024-04-26T11:28:21,146 src/sample.c:8360:9: warning: unused variable ‘B’ [-Wunused-variable] 2024-04-26T11:28:21,146 8360 | int A,B,f1,index; 2024-04-26T11:28:21,147 | ^ 2024-04-26T11:28:21,151 src/sample.c:8360:7: warning: unused variable ‘A’ [-Wunused-variable] 2024-04-26T11:28:21,152 8360 | int A,B,f1,index; 2024-04-26T11:28:21,152 | ^ 2024-04-26T11:28:21,244 src/sample.c: In function ‘SampleCOMDensityProfile3DVTKGrid’: 2024-04-26T11:28:21,250 src/sample.c:9409:11: warning: this ‘for’ clause does not guard... [-Wmisleading-indentation] 2024-04-26T11:28:21,250 9409 | for(y=0;y build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Nicholas 2024-04-26T11:33:10,069 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-16 2024-04-26T11:33:10,070 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-16/framework.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-16 2024-04-26T11:33:10,073 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/NicholasModified 2024-04-26T11:33:10,073 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/framework/NicholasModified/framework.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/NicholasModified 2024-04-26T11:33:10,076 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Demontis 2024-04-26T11:33:10,077 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/framework/Demontis/framework.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Demontis 2024-04-26T11:33:10,079 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/CoreShellCatlow 2024-04-26T11:33:10,080 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/framework/CoreShellCatlow/framework.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/CoreShellCatlow 2024-04-26T11:33:10,082 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-1 2024-04-26T11:33:10,083 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-1/framework.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-1 2024-04-26T11:33:10,085 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/AmirjalayerSchmid 2024-04-26T11:33:10,086 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/framework/AmirjalayerSchmid/framework.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/AmirjalayerSchmid 2024-04-26T11:33:10,089 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/DemontisModified 2024-04-26T11:33:10,089 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/framework/DemontisModified/framework.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/DemontisModified 2024-04-26T11:33:10,091 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/CoreShellSchroderSauer 2024-04-26T11:33:10,092 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/framework/CoreShellSchroderSauer/framework.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/CoreShellSchroderSauer 2024-04-26T11:33:10,095 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-10 2024-04-26T11:33:10,095 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-10/framework.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-10 2024-04-26T11:33:10,098 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/CoreShellSastreGale2005 2024-04-26T11:33:10,098 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/framework/CoreShellSastreGale2005/framework.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/framework/CoreShellSastreGale2005 2024-04-26T11:33:10,101 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules 2024-04-26T11:33:10,102 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-EH 2024-04-26T11:33:10,103 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE-EH/methane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-EH 2024-04-26T11:33:10,107 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,107 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/C14.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,109 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/2-ethyl-2-hexenal-trans.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,111 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/C12.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,113 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/C19.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,114 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/LJ2.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,116 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/C25.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,118 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/C26.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,120 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/heptane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,122 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/water.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,124 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/octane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,126 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/C10.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,127 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/methanol.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,129 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/O2.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,131 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/C18.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,133 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/LJ1.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,135 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/22dmC8.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,136 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/krypton.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,138 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/IonN.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,140 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/22-dimethylbutane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,142 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/27dmC8.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,143 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/2-methylhexane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,145 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/24-dimethylhexane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,147 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/2-methylpentane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,149 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/44methylethyloctane_R.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,151 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/2mC9.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,153 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/C24.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,155 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/helium.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,157 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/neopentane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,158 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/33-dimethylhexane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,160 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/ethanol.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,162 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/C21.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,164 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/ethane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,165 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/4-methylheptane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,167 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/H2S.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,169 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/NaCl.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,171 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/224-trimethylpentane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,173 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/2-ethyl-2-hexenal-cis.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,174 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/BDC.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,176 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/chromene_R_flexible.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,179 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/pentane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,180 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/hydrogen.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,182 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/none.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,184 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/CO2.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,185 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/2-cis-butene.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,187 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/C23.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,189 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/decane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,190 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/4mC9.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,192 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/223-trimethylbutane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,194 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/C9.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,196 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/formaldehyde.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,197 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/chloride.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,199 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/C13.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,201 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/xenon.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,202 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/calcium.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,204 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/C1.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,205 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/butane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,207 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/C22.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,209 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/propane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,211 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/C15.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,213 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/C7.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,214 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/22-dimethylpentane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,216 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/C2.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,217 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/2-trans-butene.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,219 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/44methylethyloctane_L.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,221 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/H2.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,222 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/24-dimethylpentane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,224 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/23-dimethylhexane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,226 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/Cl.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,227 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/3mC9.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,229 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/isooctane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,231 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/ethene.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,233 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/C28.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,235 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/3-methylpentane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,236 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/sodium.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,238 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/IonP.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,239 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/Na.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,241 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/2-methylheptane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,243 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/hexadecane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,245 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/PH3.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,246 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/AsH3.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,248 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/C5.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,249 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/dimethylpropane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,251 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/C27.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,253 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/1-butene.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,255 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/23-dimethylpentane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,257 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/argon.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,259 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/C3.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,260 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/nonane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,262 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/25-dimethylhexane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,264 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/dodecane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,265 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/C4.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,267 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/N2.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,269 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/24dmC8.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,270 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/3-methylhexane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,272 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/methane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,274 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/undecane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,275 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/23-dimethylbutane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,277 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/hexane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,279 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/C2H2.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,280 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/propene.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,282 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/C20.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,284 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/kalium.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,285 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/C17.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,287 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/C16.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,289 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/isobutane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,290 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/33-dimethylpentane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,292 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/C8.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,294 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/22-dimethylhexane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,295 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/C11.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,297 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/3-methylheptane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,299 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/benzene.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,300 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/C6.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,302 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE/2-methylbutane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE 2024-04-26T11:33:10,304 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/EPM2 2024-04-26T11:33:10,305 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/EPM2/CO2.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/EPM2 2024-04-26T11:33:10,307 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2024-04-26T11:33:10,308 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/toluene.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2024-04-26T11:33:10,310 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/p-xylene.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2024-04-26T11:33:10,311 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/m-xylene.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2024-04-26T11:33:10,313 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/o-xylene.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2024-04-26T11:33:10,315 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/benzene.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2024-04-26T11:33:10,317 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2024-04-26T11:33:10,318 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE-UA/heptane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2024-04-26T11:33:10,319 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE-UA/2-methylpentane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2024-04-26T11:33:10,321 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE-UA/ethane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2024-04-26T11:33:10,323 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE-UA/pentane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2024-04-26T11:33:10,324 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE-UA/CO2.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2024-04-26T11:33:10,326 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE-UA/butane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2024-04-26T11:33:10,328 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE-UA/propane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2024-04-26T11:33:10,329 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE-UA/dimethylpropane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2024-04-26T11:33:10,331 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE-UA/methane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2024-04-26T11:33:10,333 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE-UA/isobutane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2024-04-26T11:33:10,335 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/molecules/TraPPE-UA/2-methylbutane.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/molecules/TraPPE-UA 2024-04-26T11:33:10,338 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,339 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/rigid.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,345 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/run.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,348 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/integrate.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,350 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/minimization_simulation.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,352 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/complex.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,354 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/ewald.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,356 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/sample.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,371 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/inter_hessian.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,379 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/movies.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,381 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/warnings.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,383 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/spacegroup.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,436 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/internal_hessian.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,438 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/thermo_baro_stats.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,444 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/charge_equilibration.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,445 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/simulation.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,448 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/cubic_spline_1d.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,450 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/grids.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,454 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/molecule_properties.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,455 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/inter_hessian.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,458 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/scattering_factors.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,459 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/internal_force.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,465 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/minimization.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,468 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/framework_born.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,472 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/inter_born.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,474 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/internal_born.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,476 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/statistics.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,482 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/framework.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,494 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/constants.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,496 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/matrix.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,498 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/vector.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,500 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/equations_of_state.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,502 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/utils.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,503 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/potentials.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,506 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/framework_force.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,507 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/status.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,509 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/integration.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,511 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/output.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,513 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/internal_energy.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,519 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/molecule.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,521 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/molecular_dynamics.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,524 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/internal_hessian.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,540 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/linear_equations.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,543 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/internal_born.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,550 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/cbmc.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,555 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/molecular_dynamics.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,557 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/input.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,558 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/main.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,560 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/charge_equilibration.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,563 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/integration.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,566 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/ewald.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,583 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/complex.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,585 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/internal_force.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,587 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/inter_force.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,589 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/matrix.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,593 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/spectra.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,595 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/molecule.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,601 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/output.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,613 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/inter_energy.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,621 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/recrossing.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,622 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/thermo_baro_stats.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,624 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/input.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,636 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/internal_energy.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,638 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/framework_energy.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,645 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/movies.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,649 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/framework.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,651 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/status.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,658 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/mc_moves.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,695 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/constants.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,698 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/spacegroup.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,699 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/vector.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,701 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/monte_carlo.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,705 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/cbmc.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,707 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/potentials.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,722 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/molecule_properties.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,725 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/cubic_spline_1d.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,726 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/statistics.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,728 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/grids.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,730 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/warnings.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,733 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/framework_force.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,741 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/inter_force.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,747 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/scattering_factors.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,751 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/integrate.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,753 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/sample.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,755 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/numerical.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,765 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/minimization_simulation.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,766 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/framework_born.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,768 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/simulation.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,771 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/numerical.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,773 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/inter_born.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,776 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/framework_hessian.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,778 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/mc_moves.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,780 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/run.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,782 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/recrossing.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,784 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/inter_energy.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,786 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/equations_of_state.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,789 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/minimization.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,797 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/monte_carlo.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,799 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/spectra.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,804 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/rigid.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,806 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/framework_energy.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,809 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/framework_hessian.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,819 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/linear_equations.h -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,821 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/src/utils.c -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/src 2024-04-26T11:33:10,825 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures 2024-04-26T11:33:10,826 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/ions 2024-04-26T11:33:10,827 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/ions/IRMOF-1-Ar.ions -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/ions 2024-04-26T11:33:10,832 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,833 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/SWNT-1-14.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,836 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MIL-88C-open.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,838 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MIL-53(Cr)lt.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,840 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ERI_SI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,842 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ZIF-8.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,845 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/IRMOF-16.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,849 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ZIF-4.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,852 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/COF-202.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,854 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/NU-108-Zn.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,858 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ZnMOF-74.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,860 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/graphite_ortho.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,862 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/PAU.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,865 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/SWNT-4-14.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,868 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/COF-300.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,871 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/graphite-square-channel-12.78A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,880 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ZIF-11.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,885 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/STF.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,887 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/LEV.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,889 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/SWNT-3-20.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,895 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ZIF-69-crystal.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,899 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/graphite-sheet-11.36A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,903 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MIL-88D-dry.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,906 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/LTA4A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,908 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MgMOF-74-extended-VASP.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,910 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MgMOF-74.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,912 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/SWNT-3-11.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,916 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MIL-101-primitive.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,923 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/SWNT-11-18.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,929 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/IRMOF-9.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,932 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/graphite-sheet-18.46A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,937 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MFI_para.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,940 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/OFF.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,942 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/Mg-DOBDC.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,944 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/IRMOF-1.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,946 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/coesite.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,947 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/NU-108-Cu-primitive.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,950 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MFI_SI_Olson.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,952 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ZnHBDC.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,954 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/SFF.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,956 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/graphite-sheet-10.65A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,959 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/IRMOF-15.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,961 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/LTL_SI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,963 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MOR_SI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,965 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/SWNT-1-23.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,970 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/Cd3BTB2.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,971 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/graphite-sheet-9.0A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,975 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MIL-101.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,998 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ITQ-7.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:10,999 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/SOD.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,001 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ATS.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,003 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/graphite-sheet-13.25A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,007 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/FAU_SI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,009 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ZIF-12.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,013 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ISV.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,015 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/CHA_SI_mono.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,016 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/CFI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,018 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MIL-88B-dry.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,020 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/SWNT-3-9.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,022 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/quartz.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,024 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/IRMOF-12.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,027 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/SWNT-10-11.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,031 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/IRMOF-3.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,033 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/graphite-square-channel-9.94A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,038 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/graphite-square-channel-17.04A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,043 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/IRMOF-14.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,046 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/CHA_SI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,047 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MOF-72.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,049 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MOF-1-Dybtsev-dmol.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,051 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MIL-88D-open.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,052 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/Co-DOBDC.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,054 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/IRMOF-10.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,056 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MFI_SI_mono.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,058 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ZIF-69.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,061 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/IRMOF-11.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,065 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ITQ-29.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,067 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/IRMOF-6.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,070 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MIL-53(Cr)ht.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,072 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/graphite-sheet-12.78A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,075 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MOF-177_ortho.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,079 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ZIF-93.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,081 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ZIF-68.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,083 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/IRMOF-4.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,086 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ZIF-9.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,088 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ZIF-96.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,090 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/Ni-DOBDC.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,091 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ZIF-80.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,093 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/LTA5A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,095 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/IRMOF-13.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,097 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/NaX.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,099 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/graphite-sheet-12.0A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,103 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/CoBDP-Dubbeldam.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,106 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/AEL.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,107 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/graphite-sheet-11.0A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,111 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/graphite-sheet-19.88A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,117 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ZnMOF-74-VASP.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,118 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/IRMOF-7.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,121 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ITQ-12.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,123 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MOF-177.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,125 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/COF-5.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,127 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/EMT.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,129 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ZIF-77.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,131 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ZIF-10.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,134 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/graphite-sheet-13.75A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,138 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/RHO.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,139 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/graphite-square-channel-19.88A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,146 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/graphite-square-channel-11.36A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,152 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/IRMOF-2.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,155 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/TON.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,156 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/SAPO-56.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,158 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ZnBDCdabco.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,160 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/VFI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,162 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/NU-100SP-primitive.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,165 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ZIF-97.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,166 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/AlPO-17.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,168 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MOF-69c.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,170 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/graphite-sheet-9.5A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,173 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ZIF-1.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,175 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MOF-205.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,178 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MIL-88C-dry.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,180 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/LTA_SI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,182 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/COF-105.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,183 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/CAN-12.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,186 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MOF-210-primitive.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,188 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/AlPO-5.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,190 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MIL-140A-DFT.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,192 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MAZ.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,194 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MAF-X8.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,196 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MIL-88B-open.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,198 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ZIF-71.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,200 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/graphite-sheet-9.94A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,203 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/graphite-sheet-15.62A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,206 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/COF-103.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,208 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MgMOF-74-VASP.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,210 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/graphite-square-channel-15.62A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,218 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MIL-88A-dry.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,219 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/FER.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,221 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ZIF-5.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,223 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/CoBDP.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,225 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/AFX_SI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,227 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MIL-47.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,229 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MIL-100.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,247 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ZIF-2.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,248 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/graphite-sheet-14.2A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,252 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/BEA.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,254 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/DON.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,256 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/graphite-sheet-10.25A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,260 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MEL.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,262 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/SAPO-47.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,263 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/graphite-sheet-17.04A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,268 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/COF-1.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,270 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/graphite-sheet-8.52A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,274 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ITQ-1.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,275 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MTW_SI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,277 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MOF-200.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,281 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/KFI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,283 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/graphite-square-channel-14.2A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,289 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MFS.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,291 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MIL-88A-open.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,293 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/CON.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,295 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/Cu-BTC.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,297 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MIL-140B-DFT.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,298 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ITQ-3.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,300 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/PCN-68-primitive.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,303 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ZnBDC.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,305 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/Co(2,6-NDP).cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,306 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/graphite-square-channel-18.46A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,315 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/DDR.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,317 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MIL-140D-DFT.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,319 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/UIO-66.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,321 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/SWNT-10-13.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,325 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/PCN-61.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,327 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/graphite-sheet-15.0A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,331 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/graphite.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,334 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/Zr-TPDC.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,337 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/PCN-60.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,339 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/IRMOF-5.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,342 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MIL-140C-DFT.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,344 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/COF-108.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,346 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/BOG_SI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,347 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MOF-70.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,349 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/graphite-square-channel-8.52A.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,354 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/IRMOF-8.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,357 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/LAU.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,358 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/IRMOF-1-Ar.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,361 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/Zn-DOBDC.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,362 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ZIF-6.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,365 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/NU-100SP.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,369 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/AFI_SI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,371 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MIL-100-primitive.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,376 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ZIF-20.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,382 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/NU-108-Cu.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,384 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MOF-210.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,387 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MFI_SI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,389 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/PCN-68.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,391 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/GME.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,393 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/UMCM-1.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,396 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/alpha-quartz.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,397 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/COF-102.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,399 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ZIF-3.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,401 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ZIF-7.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,403 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/ZIF-90.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,405 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/cif/MEI.cif -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/cif 2024-04-26T11:33:11,408 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2024-04-26T11:33:11,409 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block/MFI_SI.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2024-04-26T11:33:11,411 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block/ITQ-3.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2024-04-26T11:33:11,413 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block/TON.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2024-04-26T11:33:11,414 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block/MFI_mono.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2024-04-26T11:33:11,416 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block/ITQ-29.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2024-04-26T11:33:11,418 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block/LTL_SI.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2024-04-26T11:33:11,419 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block/MOR_SI.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2024-04-26T11:33:11,421 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block/GME.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2024-04-26T11:33:11,423 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block/ERI_SI.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2024-04-26T11:33:11,424 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block/BOG_SI.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2024-04-26T11:33:11,426 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block/CHA_SI.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2024-04-26T11:33:11,428 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block/FER.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2024-04-26T11:33:11,429 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block/ATS.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2024-04-26T11:33:11,431 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block/ITQ-12.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2024-04-26T11:33:11,433 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block/FAU.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2024-04-26T11:33:11,434 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block/MTW.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2024-04-26T11:33:11,436 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block/DDR.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2024-04-26T11:33:11,438 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block/DDR_ortho.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2024-04-26T11:33:11,440 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block/MFI_Olson.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2024-04-26T11:33:11,442 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block/test.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2024-04-26T11:33:11,443 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/structures/block/LTA_SI.block -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/structures/block 2024-04-26T11:33:11,446 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield 2024-04-26T11:33:11,447 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2024-04-26T11:33:11,448 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2024-04-26T11:33:11,450 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2024-04-26T11:33:11,452 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2024-04-26T11:33:11,454 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2024-04-26T11:33:11,455 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2024-04-26T11:33:11,457 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2024-04-26T11:33:11,459 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2024-04-26T11:33:11,461 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Nicholas 2024-04-26T11:33:11,462 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Nicholas/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Nicholas 2024-04-26T11:33:11,464 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Nicholas/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Nicholas 2024-04-26T11:33:11,466 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Nicholas/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Nicholas 2024-04-26T11:33:11,468 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2024-04-26T11:33:11,469 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2024-04-26T11:33:11,471 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2024-04-26T11:33:11,473 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2024-04-26T11:33:11,475 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Pascual2004 2024-04-26T11:33:11,476 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Pascual2004/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Pascual2004 2024-04-26T11:33:11,478 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Pascual2004/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Pascual2004 2024-04-26T11:33:11,479 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Pascual2004/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Pascual2004 2024-04-26T11:33:11,482 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/GenericMOFs 2024-04-26T11:33:11,483 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/GenericMOFs/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/GenericMOFs 2024-04-26T11:33:11,485 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/GenericMOFs/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/GenericMOFs 2024-04-26T11:33:11,487 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/TraPPE 2024-04-26T11:33:11,488 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/TraPPE/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/TraPPE 2024-04-26T11:33:11,490 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/TraPPE/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/TraPPE 2024-04-26T11:33:11,491 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/TraPPE/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/TraPPE 2024-04-26T11:33:11,493 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/GenericZeolites 2024-04-26T11:33:11,494 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/GenericZeolites/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/GenericZeolites 2024-04-26T11:33:11,496 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/GenericZeolites/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/GenericZeolites 2024-04-26T11:33:11,498 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellCatlow 2024-04-26T11:33:11,499 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CoreShellCatlow/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellCatlow 2024-04-26T11:33:11,501 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CoreShellCatlow/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellCatlow 2024-04-26T11:33:11,503 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CoreShellCatlow/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellCatlow 2024-04-26T11:33:11,505 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2024-04-26T11:33:11,506 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2024-04-26T11:33:11,508 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2024-04-26T11:33:11,509 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2024-04-26T11:33:11,512 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2024-04-26T11:33:11,513 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2024-04-26T11:33:11,515 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2024-04-26T11:33:11,516 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2024-04-26T11:33:11,519 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2024-04-26T11:33:11,520 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/AmirjalayerSchmid/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2024-04-26T11:33:11,522 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/AmirjalayerSchmid/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2024-04-26T11:33:11,523 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/AmirjalayerSchmid/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2024-04-26T11:33:11,526 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2024-04-26T11:33:11,527 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2024-04-26T11:33:11,529 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2024-04-26T11:33:11,530 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2024-04-26T11:33:11,532 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2024-04-26T11:33:11,533 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2024-04-26T11:33:11,535 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2024-04-26T11:33:11,537 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2024-04-26T11:33:11,539 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2024-04-26T11:33:11,540 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2024-04-26T11:33:11,542 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2024-04-26T11:33:11,544 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2024-04-26T11:33:11,546 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2024-04-26T11:33:11,547 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2024-04-26T11:33:11,549 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2024-04-26T11:33:11,550 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2024-04-26T11:33:11,553 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CrystalGenerator 2024-04-26T11:33:11,554 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CrystalGenerator/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CrystalGenerator 2024-04-26T11:33:11,556 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CrystalGenerator/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CrystalGenerator 2024-04-26T11:33:11,558 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CrystalGenerator/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CrystalGenerator 2024-04-26T11:33:11,561 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2024-04-26T11:33:11,562 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/RigidIonKramer1991/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2024-04-26T11:33:11,564 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/RigidIonKramer1991/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2024-04-26T11:33:11,566 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/RigidIonKramer1991/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2024-04-26T11:33:11,568 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2024-04-26T11:33:11,568 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2024-04-26T11:33:11,570 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2024-04-26T11:33:11,572 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2024-04-26T11:33:11,574 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2024-04-26T11:33:11,575 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2024-04-26T11:33:11,577 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2024-04-26T11:33:11,578 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2024-04-26T11:33:11,581 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/GarciaPerez2006 2024-04-26T11:33:11,581 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/GarciaPerez2006/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/GarciaPerez2006 2024-04-26T11:33:11,583 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/GarciaPerez2006/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/GarciaPerez2006 2024-04-26T11:33:11,585 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/GarciaPerez2006/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/GarciaPerez2006 2024-04-26T11:33:11,588 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2024-04-26T11:33:11,588 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2024-04-26T11:33:11,590 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2024-04-26T11:33:11,592 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2024-04-26T11:33:11,595 creating build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2024-04-26T11:33:11,596 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74/force_field.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2024-04-26T11:33:11,598 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74/force_field_mixing_rules.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2024-04-26T11:33:11,600 copying build/lib.linux-armv7l-cpython-39/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74/pseudo_atoms.def -> build/bdist.linux-armv7l/wheel/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2024-04-26T11:33:11,602 creating build/bdist.linux-armv7l/wheel/RASPA2/simulations 2024-04-26T11:33:11,604 creating build/bdist.linux-armv7l/wheel/RASPA2/simulations/lib 2024-04-26T11:33:11,605 copying build/lib.linux-armv7l-cpython-39/RASPA2/simulations/lib/libraspa2.cpython-39-arm-linux-gnueabihf.so -> build/bdist.linux-armv7l/wheel/RASPA2/simulations/lib 2024-04-26T11:33:12,092 copying build/lib.linux-armv7l-cpython-39/RASPA2/__init__.py -> build/bdist.linux-armv7l/wheel/RASPA2 2024-04-26T11:33:12,093 copying build/lib.linux-armv7l-cpython-39/RASPA2/output_parser.py -> build/bdist.linux-armv7l/wheel/RASPA2 2024-04-26T11:33:12,095 copying build/lib.linux-armv7l-cpython-39/RASPA2/raspa2.py -> build/bdist.linux-armv7l/wheel/RASPA2 2024-04-26T11:33:12,098 running install_egg_info 2024-04-26T11:33:12,131 Copying RASPA2.egg-info to build/bdist.linux-armv7l/wheel/RASPA2-2.0.3-py3.9.egg-info 2024-04-26T11:33:12,141 running install_scripts 2024-04-26T11:33:12,157 creating build/bdist.linux-armv7l/wheel/RASPA2-2.0.3.dist-info/WHEEL 2024-04-26T11:33:12,160 creating '/tmp/pip-wheel-59z6e490/RASPA2-2.0.3-cp39-cp39-linux_armv7l.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2024-04-26T11:33:12,162 adding 'RASPA2/__init__.py' 2024-04-26T11:33:12,164 adding 'RASPA2/output_parser.py' 2024-04-26T11:33:12,167 adding 'RASPA2/raspa2.py' 2024-04-26T11:33:12,171 adding 'RASPA2/share/raspa/forcefield/AmirjalayerSchmid/force_field.def' 2024-04-26T11:33:12,172 adding 'RASPA2/share/raspa/forcefield/AmirjalayerSchmid/force_field_mixing_rules.def' 2024-04-26T11:33:12,174 adding 'RASPA2/share/raspa/forcefield/AmirjalayerSchmid/pseudo_atoms.def' 2024-04-26T11:33:12,175 adding 'RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009/force_field.def' 2024-04-26T11:33:12,177 adding 'RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009/force_field_mixing_rules.def' 2024-04-26T11:33:12,178 adding 'RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009/pseudo_atoms.def' 2024-04-26T11:33:12,180 adding 'RASPA2/share/raspa/forcefield/CoreShellCatlow/force_field.def' 2024-04-26T11:33:12,181 adding 'RASPA2/share/raspa/forcefield/CoreShellCatlow/force_field_mixing_rules.def' 2024-04-26T11:33:12,183 adding 'RASPA2/share/raspa/forcefield/CoreShellCatlow/pseudo_atoms.def' 2024-04-26T11:33:12,184 adding 'RASPA2/share/raspa/forcefield/CoreShellSastreGale2005/force_field.def' 2024-04-26T11:33:12,185 adding 'RASPA2/share/raspa/forcefield/CoreShellSastreGale2005/force_field_mixing_rules.def' 2024-04-26T11:33:12,187 adding 'RASPA2/share/raspa/forcefield/CoreShellSastreGale2005/pseudo_atoms.def' 2024-04-26T11:33:12,188 adding 'RASPA2/share/raspa/forcefield/CoreShellSchroderSauer/force_field.def' 2024-04-26T11:33:12,190 adding 'RASPA2/share/raspa/forcefield/CoreShellSchroderSauer/force_field_mixing_rules.def' 2024-04-26T11:33:12,191 adding 'RASPA2/share/raspa/forcefield/CoreShellSchroderSauer/pseudo_atoms.def' 2024-04-26T11:33:12,193 adding 'RASPA2/share/raspa/forcefield/CrystalGenerator/force_field.def' 2024-04-26T11:33:12,194 adding 'RASPA2/share/raspa/forcefield/CrystalGenerator/force_field_mixing_rules.def' 2024-04-26T11:33:12,196 adding 'RASPA2/share/raspa/forcefield/CrystalGenerator/pseudo_atoms.def' 2024-04-26T11:33:12,198 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field.def' 2024-04-26T11:33:12,199 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field_mixing_rules.def' 2024-04-26T11:33:12,200 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1/pseudo_atoms.def' 2024-04-26T11:33:12,202 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field.def' 2024-04-26T11:33:12,203 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field_mixing_rules.def' 2024-04-26T11:33:12,205 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10/pseudo_atoms.def' 2024-04-26T11:33:12,207 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field.def' 2024-04-26T11:33:12,208 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field_mixing_rules.def' 2024-04-26T11:33:12,210 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16/pseudo_atoms.def' 2024-04-26T11:33:12,211 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100/force_field.def' 2024-04-26T11:33:12,213 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100/force_field_mixing_rules.def' 2024-04-26T11:33:12,214 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100/pseudo_atoms.def' 2024-04-26T11:33:12,216 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101/force_field.def' 2024-04-26T11:33:12,217 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101/force_field_mixing_rules.def' 2024-04-26T11:33:12,218 adding 'RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101/pseudo_atoms.def' 2024-04-26T11:33:12,220 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1/force_field.def' 2024-04-26T11:33:12,221 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1/force_field_mixing_rules.def' 2024-04-26T11:33:12,223 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1/pseudo_atoms.def' 2024-04-26T11:33:12,225 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74/force_field.def' 2024-04-26T11:33:12,226 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74/force_field_mixing_rules.def' 2024-04-26T11:33:12,227 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74/pseudo_atoms.def' 2024-04-26T11:33:12,229 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended/force_field.def' 2024-04-26T11:33:12,230 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended/force_field_mixing_rules.def' 2024-04-26T11:33:12,232 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended/pseudo_atoms.def' 2024-04-26T11:33:12,234 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74/force_field.def' 2024-04-26T11:33:12,235 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74/force_field_mixing_rules.def' 2024-04-26T11:33:12,236 adding 'RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74/pseudo_atoms.def' 2024-04-26T11:33:12,238 adding 'RASPA2/share/raspa/forcefield/GarciaPerez2006/force_field.def' 2024-04-26T11:33:12,240 adding 'RASPA2/share/raspa/forcefield/GarciaPerez2006/force_field_mixing_rules.def' 2024-04-26T11:33:12,241 adding 'RASPA2/share/raspa/forcefield/GarciaPerez2006/pseudo_atoms.def' 2024-04-26T11:33:12,243 adding 'RASPA2/share/raspa/forcefield/GenericMOFs/force_field_mixing_rules.def' 2024-04-26T11:33:12,244 adding 'RASPA2/share/raspa/forcefield/GenericMOFs/pseudo_atoms.def' 2024-04-26T11:33:12,246 adding 'RASPA2/share/raspa/forcefield/GenericZeolites/force_field_mixing_rules.def' 2024-04-26T11:33:12,248 adding 'RASPA2/share/raspa/forcefield/GenericZeolites/pseudo_atoms.def' 2024-04-26T11:33:12,249 adding 'RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin/force_field.def' 2024-04-26T11:33:12,251 adding 'RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin/force_field_mixing_rules.def' 2024-04-26T11:33:12,252 adding 'RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin/pseudo_atoms.def' 2024-04-26T11:33:12,254 adding 'RASPA2/share/raspa/forcefield/Nicholas/force_field.def' 2024-04-26T11:33:12,255 adding 'RASPA2/share/raspa/forcefield/Nicholas/force_field_mixing_rules.def' 2024-04-26T11:33:12,256 adding 'RASPA2/share/raspa/forcefield/Nicholas/pseudo_atoms.def' 2024-04-26T11:33:12,258 adding 'RASPA2/share/raspa/forcefield/Pascual2004/force_field.def' 2024-04-26T11:33:12,259 adding 'RASPA2/share/raspa/forcefield/Pascual2004/force_field_mixing_rules.def' 2024-04-26T11:33:12,260 adding 'RASPA2/share/raspa/forcefield/Pascual2004/pseudo_atoms.def' 2024-04-26T11:33:12,262 adding 'RASPA2/share/raspa/forcefield/RigidIonKramer1991/force_field.def' 2024-04-26T11:33:12,263 adding 'RASPA2/share/raspa/forcefield/RigidIonKramer1991/force_field_mixing_rules.def' 2024-04-26T11:33:12,264 adding 'RASPA2/share/raspa/forcefield/RigidIonKramer1991/pseudo_atoms.def' 2024-04-26T11:33:12,266 adding 'RASPA2/share/raspa/forcefield/TraPPE/force_field.def' 2024-04-26T11:33:12,267 adding 'RASPA2/share/raspa/forcefield/TraPPE/force_field_mixing_rules.def' 2024-04-26T11:33:12,268 adding 'RASPA2/share/raspa/forcefield/TraPPE/pseudo_atoms.def' 2024-04-26T11:33:12,271 adding 'RASPA2/share/raspa/framework/AmirjalayerSchmid/framework.def' 2024-04-26T11:33:12,272 adding 'RASPA2/share/raspa/framework/CoreShellCatlow/framework.def' 2024-04-26T11:33:12,274 adding 'RASPA2/share/raspa/framework/CoreShellSastreGale2005/framework.def' 2024-04-26T11:33:12,276 adding 'RASPA2/share/raspa/framework/CoreShellSchroderSauer/framework.def' 2024-04-26T11:33:12,277 adding 'RASPA2/share/raspa/framework/Demontis/framework.def' 2024-04-26T11:33:12,279 adding 'RASPA2/share/raspa/framework/DemontisModified/framework.def' 2024-04-26T11:33:12,281 adding 'RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-1/framework.def' 2024-04-26T11:33:12,283 adding 'RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-10/framework.def' 2024-04-26T11:33:12,284 adding 'RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-16/framework.def' 2024-04-26T11:33:12,286 adding 'RASPA2/share/raspa/framework/Nicholas/framework.def' 2024-04-26T11:33:12,288 adding 'RASPA2/share/raspa/framework/NicholasModified/framework.def' 2024-04-26T11:33:12,290 adding 'RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/benzene.def' 2024-04-26T11:33:12,291 adding 'RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/m-xylene.def' 2024-04-26T11:33:12,292 adding 'RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/o-xylene.def' 2024-04-26T11:33:12,294 adding 'RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/p-xylene.def' 2024-04-26T11:33:12,295 adding 'RASPA2/share/raspa/molecules/CastilloVlugtCalero2009/toluene.def' 2024-04-26T11:33:12,297 adding 'RASPA2/share/raspa/molecules/EPM2/CO2.def' 2024-04-26T11:33:12,300 adding 'RASPA2/share/raspa/molecules/TraPPE/1-butene.def' 2024-04-26T11:33:12,301 adding 'RASPA2/share/raspa/molecules/TraPPE/2-cis-butene.def' 2024-04-26T11:33:12,303 adding 'RASPA2/share/raspa/molecules/TraPPE/2-ethyl-2-hexenal-cis.def' 2024-04-26T11:33:12,304 adding 'RASPA2/share/raspa/molecules/TraPPE/2-ethyl-2-hexenal-trans.def' 2024-04-26T11:33:12,305 adding 'RASPA2/share/raspa/molecules/TraPPE/2-methylbutane.def' 2024-04-26T11:33:12,307 adding 'RASPA2/share/raspa/molecules/TraPPE/2-methylheptane.def' 2024-04-26T11:33:12,308 adding 'RASPA2/share/raspa/molecules/TraPPE/2-methylhexane.def' 2024-04-26T11:33:12,309 adding 'RASPA2/share/raspa/molecules/TraPPE/2-methylpentane.def' 2024-04-26T11:33:12,310 adding 'RASPA2/share/raspa/molecules/TraPPE/2-trans-butene.def' 2024-04-26T11:33:12,312 adding 'RASPA2/share/raspa/molecules/TraPPE/22-dimethylbutane.def' 2024-04-26T11:33:12,313 adding 'RASPA2/share/raspa/molecules/TraPPE/22-dimethylhexane.def' 2024-04-26T11:33:12,314 adding 'RASPA2/share/raspa/molecules/TraPPE/22-dimethylpentane.def' 2024-04-26T11:33:12,316 adding 'RASPA2/share/raspa/molecules/TraPPE/223-trimethylbutane.def' 2024-04-26T11:33:12,317 adding 'RASPA2/share/raspa/molecules/TraPPE/224-trimethylpentane.def' 2024-04-26T11:33:12,318 adding 'RASPA2/share/raspa/molecules/TraPPE/22dmC8.def' 2024-04-26T11:33:12,319 adding 'RASPA2/share/raspa/molecules/TraPPE/23-dimethylbutane.def' 2024-04-26T11:33:12,321 adding 'RASPA2/share/raspa/molecules/TraPPE/23-dimethylhexane.def' 2024-04-26T11:33:12,322 adding 'RASPA2/share/raspa/molecules/TraPPE/23-dimethylpentane.def' 2024-04-26T11:33:12,323 adding 'RASPA2/share/raspa/molecules/TraPPE/24-dimethylhexane.def' 2024-04-26T11:33:12,325 adding 'RASPA2/share/raspa/molecules/TraPPE/24-dimethylpentane.def' 2024-04-26T11:33:12,326 adding 'RASPA2/share/raspa/molecules/TraPPE/24dmC8.def' 2024-04-26T11:33:12,327 adding 'RASPA2/share/raspa/molecules/TraPPE/25-dimethylhexane.def' 2024-04-26T11:33:12,328 adding 'RASPA2/share/raspa/molecules/TraPPE/27dmC8.def' 2024-04-26T11:33:12,330 adding 'RASPA2/share/raspa/molecules/TraPPE/2mC9.def' 2024-04-26T11:33:12,331 adding 'RASPA2/share/raspa/molecules/TraPPE/3-methylheptane.def' 2024-04-26T11:33:12,332 adding 'RASPA2/share/raspa/molecules/TraPPE/3-methylhexane.def' 2024-04-26T11:33:12,334 adding 'RASPA2/share/raspa/molecules/TraPPE/3-methylpentane.def' 2024-04-26T11:33:12,335 adding 'RASPA2/share/raspa/molecules/TraPPE/33-dimethylhexane.def' 2024-04-26T11:33:12,336 adding 'RASPA2/share/raspa/molecules/TraPPE/33-dimethylpentane.def' 2024-04-26T11:33:12,337 adding 'RASPA2/share/raspa/molecules/TraPPE/3mC9.def' 2024-04-26T11:33:12,339 adding 'RASPA2/share/raspa/molecules/TraPPE/4-methylheptane.def' 2024-04-26T11:33:12,340 adding 'RASPA2/share/raspa/molecules/TraPPE/44methylethyloctane_L.def' 2024-04-26T11:33:12,341 adding 'RASPA2/share/raspa/molecules/TraPPE/44methylethyloctane_R.def' 2024-04-26T11:33:12,343 adding 'RASPA2/share/raspa/molecules/TraPPE/4mC9.def' 2024-04-26T11:33:12,344 adding 'RASPA2/share/raspa/molecules/TraPPE/AsH3.def' 2024-04-26T11:33:12,345 adding 'RASPA2/share/raspa/molecules/TraPPE/BDC.def' 2024-04-26T11:33:12,346 adding 'RASPA2/share/raspa/molecules/TraPPE/C1.def' 2024-04-26T11:33:12,348 adding 'RASPA2/share/raspa/molecules/TraPPE/C10.def' 2024-04-26T11:33:12,349 adding 'RASPA2/share/raspa/molecules/TraPPE/C11.def' 2024-04-26T11:33:12,350 adding 'RASPA2/share/raspa/molecules/TraPPE/C12.def' 2024-04-26T11:33:12,351 adding 'RASPA2/share/raspa/molecules/TraPPE/C13.def' 2024-04-26T11:33:12,353 adding 'RASPA2/share/raspa/molecules/TraPPE/C14.def' 2024-04-26T11:33:12,354 adding 'RASPA2/share/raspa/molecules/TraPPE/C15.def' 2024-04-26T11:33:12,355 adding 'RASPA2/share/raspa/molecules/TraPPE/C16.def' 2024-04-26T11:33:12,357 adding 'RASPA2/share/raspa/molecules/TraPPE/C17.def' 2024-04-26T11:33:12,358 adding 'RASPA2/share/raspa/molecules/TraPPE/C18.def' 2024-04-26T11:33:12,360 adding 'RASPA2/share/raspa/molecules/TraPPE/C19.def' 2024-04-26T11:33:12,361 adding 'RASPA2/share/raspa/molecules/TraPPE/C2.def' 2024-04-26T11:33:12,362 adding 'RASPA2/share/raspa/molecules/TraPPE/C20.def' 2024-04-26T11:33:12,364 adding 'RASPA2/share/raspa/molecules/TraPPE/C21.def' 2024-04-26T11:33:12,365 adding 'RASPA2/share/raspa/molecules/TraPPE/C22.def' 2024-04-26T11:33:12,367 adding 'RASPA2/share/raspa/molecules/TraPPE/C23.def' 2024-04-26T11:33:12,368 adding 'RASPA2/share/raspa/molecules/TraPPE/C24.def' 2024-04-26T11:33:12,370 adding 'RASPA2/share/raspa/molecules/TraPPE/C25.def' 2024-04-26T11:33:12,371 adding 'RASPA2/share/raspa/molecules/TraPPE/C26.def' 2024-04-26T11:33:12,373 adding 'RASPA2/share/raspa/molecules/TraPPE/C27.def' 2024-04-26T11:33:12,374 adding 'RASPA2/share/raspa/molecules/TraPPE/C28.def' 2024-04-26T11:33:12,375 adding 'RASPA2/share/raspa/molecules/TraPPE/C2H2.def' 2024-04-26T11:33:12,377 adding 'RASPA2/share/raspa/molecules/TraPPE/C3.def' 2024-04-26T11:33:12,378 adding 'RASPA2/share/raspa/molecules/TraPPE/C4.def' 2024-04-26T11:33:12,379 adding 'RASPA2/share/raspa/molecules/TraPPE/C5.def' 2024-04-26T11:33:12,380 adding 'RASPA2/share/raspa/molecules/TraPPE/C6.def' 2024-04-26T11:33:12,382 adding 'RASPA2/share/raspa/molecules/TraPPE/C7.def' 2024-04-26T11:33:12,383 adding 'RASPA2/share/raspa/molecules/TraPPE/C8.def' 2024-04-26T11:33:12,384 adding 'RASPA2/share/raspa/molecules/TraPPE/C9.def' 2024-04-26T11:33:12,385 adding 'RASPA2/share/raspa/molecules/TraPPE/CO2.def' 2024-04-26T11:33:12,387 adding 'RASPA2/share/raspa/molecules/TraPPE/Cl.def' 2024-04-26T11:33:12,388 adding 'RASPA2/share/raspa/molecules/TraPPE/H2.def' 2024-04-26T11:33:12,389 adding 'RASPA2/share/raspa/molecules/TraPPE/H2S.def' 2024-04-26T11:33:12,390 adding 'RASPA2/share/raspa/molecules/TraPPE/IonN.def' 2024-04-26T11:33:12,391 adding 'RASPA2/share/raspa/molecules/TraPPE/IonP.def' 2024-04-26T11:33:12,393 adding 'RASPA2/share/raspa/molecules/TraPPE/LJ1.def' 2024-04-26T11:33:12,394 adding 'RASPA2/share/raspa/molecules/TraPPE/LJ2.def' 2024-04-26T11:33:12,395 adding 'RASPA2/share/raspa/molecules/TraPPE/N2.def' 2024-04-26T11:33:12,396 adding 'RASPA2/share/raspa/molecules/TraPPE/Na.def' 2024-04-26T11:33:12,398 adding 'RASPA2/share/raspa/molecules/TraPPE/NaCl.def' 2024-04-26T11:33:12,399 adding 'RASPA2/share/raspa/molecules/TraPPE/O2.def' 2024-04-26T11:33:12,400 adding 'RASPA2/share/raspa/molecules/TraPPE/PH3.def' 2024-04-26T11:33:12,401 adding 'RASPA2/share/raspa/molecules/TraPPE/argon.def' 2024-04-26T11:33:12,403 adding 'RASPA2/share/raspa/molecules/TraPPE/benzene.def' 2024-04-26T11:33:12,404 adding 'RASPA2/share/raspa/molecules/TraPPE/butane.def' 2024-04-26T11:33:12,405 adding 'RASPA2/share/raspa/molecules/TraPPE/calcium.def' 2024-04-26T11:33:12,406 adding 'RASPA2/share/raspa/molecules/TraPPE/chloride.def' 2024-04-26T11:33:12,408 adding 'RASPA2/share/raspa/molecules/TraPPE/chromene_R_flexible.def' 2024-04-26T11:33:12,409 adding 'RASPA2/share/raspa/molecules/TraPPE/decane.def' 2024-04-26T11:33:12,410 adding 'RASPA2/share/raspa/molecules/TraPPE/dimethylpropane.def' 2024-04-26T11:33:12,412 adding 'RASPA2/share/raspa/molecules/TraPPE/dodecane.def' 2024-04-26T11:33:12,413 adding 'RASPA2/share/raspa/molecules/TraPPE/ethane.def' 2024-04-26T11:33:12,414 adding 'RASPA2/share/raspa/molecules/TraPPE/ethanol.def' 2024-04-26T11:33:12,416 adding 'RASPA2/share/raspa/molecules/TraPPE/ethene.def' 2024-04-26T11:33:12,417 adding 'RASPA2/share/raspa/molecules/TraPPE/formaldehyde.def' 2024-04-26T11:33:12,418 adding 'RASPA2/share/raspa/molecules/TraPPE/helium.def' 2024-04-26T11:33:12,419 adding 'RASPA2/share/raspa/molecules/TraPPE/heptane.def' 2024-04-26T11:33:12,421 adding 'RASPA2/share/raspa/molecules/TraPPE/hexadecane.def' 2024-04-26T11:33:12,422 adding 'RASPA2/share/raspa/molecules/TraPPE/hexane.def' 2024-04-26T11:33:12,423 adding 'RASPA2/share/raspa/molecules/TraPPE/hydrogen.def' 2024-04-26T11:33:12,425 adding 'RASPA2/share/raspa/molecules/TraPPE/isobutane.def' 2024-04-26T11:33:12,426 adding 'RASPA2/share/raspa/molecules/TraPPE/isooctane.def' 2024-04-26T11:33:12,427 adding 'RASPA2/share/raspa/molecules/TraPPE/kalium.def' 2024-04-26T11:33:12,428 adding 'RASPA2/share/raspa/molecules/TraPPE/krypton.def' 2024-04-26T11:33:12,429 adding 'RASPA2/share/raspa/molecules/TraPPE/methane.def' 2024-04-26T11:33:12,431 adding 'RASPA2/share/raspa/molecules/TraPPE/methanol.def' 2024-04-26T11:33:12,432 adding 'RASPA2/share/raspa/molecules/TraPPE/neopentane.def' 2024-04-26T11:33:12,433 adding 'RASPA2/share/raspa/molecules/TraPPE/nonane.def' 2024-04-26T11:33:12,434 adding 'RASPA2/share/raspa/molecules/TraPPE/none.def' 2024-04-26T11:33:12,436 adding 'RASPA2/share/raspa/molecules/TraPPE/octane.def' 2024-04-26T11:33:12,437 adding 'RASPA2/share/raspa/molecules/TraPPE/pentane.def' 2024-04-26T11:33:12,438 adding 'RASPA2/share/raspa/molecules/TraPPE/propane.def' 2024-04-26T11:33:12,439 adding 'RASPA2/share/raspa/molecules/TraPPE/propene.def' 2024-04-26T11:33:12,440 adding 'RASPA2/share/raspa/molecules/TraPPE/sodium.def' 2024-04-26T11:33:12,442 adding 'RASPA2/share/raspa/molecules/TraPPE/undecane.def' 2024-04-26T11:33:12,443 adding 'RASPA2/share/raspa/molecules/TraPPE/water.def' 2024-04-26T11:33:12,444 adding 'RASPA2/share/raspa/molecules/TraPPE/xenon.def' 2024-04-26T11:33:12,446 adding 'RASPA2/share/raspa/molecules/TraPPE-EH/methane.def' 2024-04-26T11:33:12,448 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/2-methylbutane.def' 2024-04-26T11:33:12,449 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/2-methylpentane.def' 2024-04-26T11:33:12,450 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/CO2.def' 2024-04-26T11:33:12,451 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/butane.def' 2024-04-26T11:33:12,453 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/dimethylpropane.def' 2024-04-26T11:33:12,454 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/ethane.def' 2024-04-26T11:33:12,455 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/heptane.def' 2024-04-26T11:33:12,457 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/isobutane.def' 2024-04-26T11:33:12,458 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/methane.def' 2024-04-26T11:33:12,459 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/pentane.def' 2024-04-26T11:33:12,460 adding 'RASPA2/share/raspa/molecules/TraPPE-UA/propane.def' 2024-04-26T11:33:12,476 adding 'RASPA2/share/raspa/src/cbmc.c' 2024-04-26T11:33:12,479 adding 'RASPA2/share/raspa/src/cbmc.h' 2024-04-26T11:33:12,482 adding 'RASPA2/share/raspa/src/charge_equilibration.c' 2024-04-26T11:33:12,484 adding 'RASPA2/share/raspa/src/charge_equilibration.h' 2024-04-26T11:33:12,485 adding 'RASPA2/share/raspa/src/complex.c' 2024-04-26T11:33:12,487 adding 'RASPA2/share/raspa/src/complex.h' 2024-04-26T11:33:12,488 adding 'RASPA2/share/raspa/src/constants.c' 2024-04-26T11:33:12,490 adding 'RASPA2/share/raspa/src/constants.h' 2024-04-26T11:33:12,493 adding 'RASPA2/share/raspa/src/cubic_spline_1d.c' 2024-04-26T11:33:12,495 adding 'RASPA2/share/raspa/src/cubic_spline_1d.h' 2024-04-26T11:33:12,497 adding 'RASPA2/share/raspa/src/equations_of_state.c' 2024-04-26T11:33:12,499 adding 'RASPA2/share/raspa/src/equations_of_state.h' 2024-04-26T11:33:12,559 adding 'RASPA2/share/raspa/src/ewald.c' 2024-04-26T11:33:12,567 adding 'RASPA2/share/raspa/src/ewald.h' 2024-04-26T11:33:12,610 adding 'RASPA2/share/raspa/src/framework.c' 2024-04-26T11:33:12,617 adding 'RASPA2/share/raspa/src/framework.h' 2024-04-26T11:33:12,627 adding 'RASPA2/share/raspa/src/framework_born.c' 2024-04-26T11:33:12,630 adding 'RASPA2/share/raspa/src/framework_born.h' 2024-04-26T11:33:12,644 adding 'RASPA2/share/raspa/src/framework_energy.c' 2024-04-26T11:33:12,647 adding 'RASPA2/share/raspa/src/framework_energy.h' 2024-04-26T11:33:12,664 adding 'RASPA2/share/raspa/src/framework_force.c' 2024-04-26T11:33:12,668 adding 'RASPA2/share/raspa/src/framework_force.h' 2024-04-26T11:33:12,691 adding 'RASPA2/share/raspa/src/framework_hessian.c' 2024-04-26T11:33:12,695 adding 'RASPA2/share/raspa/src/framework_hessian.h' 2024-04-26T11:33:12,702 adding 'RASPA2/share/raspa/src/grids.c' 2024-04-26T11:33:12,704 adding 'RASPA2/share/raspa/src/grids.h' 2024-04-26T11:33:12,730 adding 'RASPA2/share/raspa/src/input.c' 2024-04-26T11:33:12,734 adding 'RASPA2/share/raspa/src/input.h' 2024-04-26T11:33:12,736 adding 'RASPA2/share/raspa/src/integrate.c' 2024-04-26T11:33:12,737 adding 'RASPA2/share/raspa/src/integrate.h' 2024-04-26T11:33:12,744 adding 'RASPA2/share/raspa/src/integration.c' 2024-04-26T11:33:12,746 adding 'RASPA2/share/raspa/src/integration.h' 2024-04-26T11:33:12,749 adding 'RASPA2/share/raspa/src/inter_born.c' 2024-04-26T11:33:12,750 adding 'RASPA2/share/raspa/src/inter_born.h' 2024-04-26T11:33:12,761 adding 'RASPA2/share/raspa/src/inter_energy.c' 2024-04-26T11:33:12,764 adding 'RASPA2/share/raspa/src/inter_energy.h' 2024-04-26T11:33:12,772 adding 'RASPA2/share/raspa/src/inter_force.c' 2024-04-26T11:33:12,774 adding 'RASPA2/share/raspa/src/inter_force.h' 2024-04-26T11:33:12,788 adding 'RASPA2/share/raspa/src/inter_hessian.c' 2024-04-26T11:33:12,792 adding 'RASPA2/share/raspa/src/inter_hessian.h' 2024-04-26T11:33:12,809 adding 'RASPA2/share/raspa/src/internal_born.c' 2024-04-26T11:33:12,811 adding 'RASPA2/share/raspa/src/internal_born.h' 2024-04-26T11:33:12,822 adding 'RASPA2/share/raspa/src/internal_energy.c' 2024-04-26T11:33:12,824 adding 'RASPA2/share/raspa/src/internal_energy.h' 2024-04-26T11:33:12,839 adding 'RASPA2/share/raspa/src/internal_force.c' 2024-04-26T11:33:12,841 adding 'RASPA2/share/raspa/src/internal_force.h' 2024-04-26T11:33:12,884 adding 'RASPA2/share/raspa/src/internal_hessian.c' 2024-04-26T11:33:12,890 adding 'RASPA2/share/raspa/src/internal_hessian.h' 2024-04-26T11:33:12,892 adding 'RASPA2/share/raspa/src/linear_equations.c' 2024-04-26T11:33:12,893 adding 'RASPA2/share/raspa/src/linear_equations.h' 2024-04-26T11:33:12,895 adding 'RASPA2/share/raspa/src/main.c' 2024-04-26T11:33:12,904 adding 'RASPA2/share/raspa/src/matrix.c' 2024-04-26T11:33:12,906 adding 'RASPA2/share/raspa/src/matrix.h' 2024-04-26T11:33:12,996 adding 'RASPA2/share/raspa/src/mc_moves.c' 2024-04-26T11:33:13,008 adding 'RASPA2/share/raspa/src/mc_moves.h' 2024-04-26T11:33:13,023 adding 'RASPA2/share/raspa/src/minimization.c' 2024-04-26T11:33:13,027 adding 'RASPA2/share/raspa/src/minimization.h' 2024-04-26T11:33:13,029 adding 'RASPA2/share/raspa/src/minimization_simulation.c' 2024-04-26T11:33:13,030 adding 'RASPA2/share/raspa/src/minimization_simulation.h' 2024-04-26T11:33:13,032 adding 'RASPA2/share/raspa/src/molecular_dynamics.c' 2024-04-26T11:33:13,034 adding 'RASPA2/share/raspa/src/molecular_dynamics.h' 2024-04-26T11:33:13,053 adding 'RASPA2/share/raspa/src/molecule.c' 2024-04-26T11:33:13,058 adding 'RASPA2/share/raspa/src/molecule.h' 2024-04-26T11:33:13,060 adding 'RASPA2/share/raspa/src/molecule_properties.c' 2024-04-26T11:33:13,062 adding 'RASPA2/share/raspa/src/molecule_properties.h' 2024-04-26T11:33:13,068 adding 'RASPA2/share/raspa/src/monte_carlo.c' 2024-04-26T11:33:13,070 adding 'RASPA2/share/raspa/src/monte_carlo.h' 2024-04-26T11:33:13,077 adding 'RASPA2/share/raspa/src/movies.c' 2024-04-26T11:33:13,079 adding 'RASPA2/share/raspa/src/movies.h' 2024-04-26T11:33:13,093 adding 'RASPA2/share/raspa/src/numerical.c' 2024-04-26T11:33:13,097 adding 'RASPA2/share/raspa/src/numerical.h' 2024-04-26T11:33:13,124 adding 'RASPA2/share/raspa/src/output.c' 2024-04-26T11:33:13,128 adding 'RASPA2/share/raspa/src/output.h' 2024-04-26T11:33:13,156 adding 'RASPA2/share/raspa/src/potentials.c' 2024-04-26T11:33:13,162 adding 'RASPA2/share/raspa/src/potentials.h' 2024-04-26T11:33:13,165 adding 'RASPA2/share/raspa/src/recrossing.c' 2024-04-26T11:33:13,166 adding 'RASPA2/share/raspa/src/recrossing.h' 2024-04-26T11:33:13,183 adding 'RASPA2/share/raspa/src/rigid.c' 2024-04-26T11:33:13,186 adding 'RASPA2/share/raspa/src/rigid.h' 2024-04-26T11:33:13,188 adding 'RASPA2/share/raspa/src/run.c' 2024-04-26T11:33:13,189 adding 'RASPA2/share/raspa/src/run.h' 2024-04-26T11:33:13,224 adding 'RASPA2/share/raspa/src/sample.c' 2024-04-26T11:33:13,229 adding 'RASPA2/share/raspa/src/sample.h' 2024-04-26T11:33:13,249 adding 'RASPA2/share/raspa/src/scattering_factors.c' 2024-04-26T11:33:13,251 adding 'RASPA2/share/raspa/src/scattering_factors.h' 2024-04-26T11:33:13,257 adding 'RASPA2/share/raspa/src/simulation.c' 2024-04-26T11:33:13,260 adding 'RASPA2/share/raspa/src/simulation.h' 2024-04-26T11:33:13,426 adding 'RASPA2/share/raspa/src/spacegroup.c' 2024-04-26T11:33:13,446 adding 'RASPA2/share/raspa/src/spacegroup.h' 2024-04-26T11:33:13,455 adding 'RASPA2/share/raspa/src/spectra.c' 2024-04-26T11:33:13,457 adding 'RASPA2/share/raspa/src/spectra.h' 2024-04-26T11:33:13,473 adding 'RASPA2/share/raspa/src/statistics.c' 2024-04-26T11:33:13,476 adding 'RASPA2/share/raspa/src/statistics.h' 2024-04-26T11:33:13,493 adding 'RASPA2/share/raspa/src/status.c' 2024-04-26T11:33:13,497 adding 'RASPA2/share/raspa/src/status.h' 2024-04-26T11:33:13,507 adding 'RASPA2/share/raspa/src/thermo_baro_stats.c' 2024-04-26T11:33:13,510 adding 'RASPA2/share/raspa/src/thermo_baro_stats.h' 2024-04-26T11:33:13,516 adding 'RASPA2/share/raspa/src/utils.c' 2024-04-26T11:33:13,518 adding 'RASPA2/share/raspa/src/utils.h' 2024-04-26T11:33:13,520 adding 'RASPA2/share/raspa/src/vector.c' 2024-04-26T11:33:13,521 adding 'RASPA2/share/raspa/src/vector.h' 2024-04-26T11:33:13,523 adding 'RASPA2/share/raspa/src/warnings.c' 2024-04-26T11:33:13,524 adding 'RASPA2/share/raspa/src/warnings.h' 2024-04-26T11:33:13,527 adding 'RASPA2/share/raspa/structures/block/ATS.block' 2024-04-26T11:33:13,528 adding 'RASPA2/share/raspa/structures/block/BOG_SI.block' 2024-04-26T11:33:13,529 adding 'RASPA2/share/raspa/structures/block/CHA_SI.block' 2024-04-26T11:33:13,530 adding 'RASPA2/share/raspa/structures/block/DDR.block' 2024-04-26T11:33:13,531 adding 'RASPA2/share/raspa/structures/block/DDR_ortho.block' 2024-04-26T11:33:13,533 adding 'RASPA2/share/raspa/structures/block/ERI_SI.block' 2024-04-26T11:33:13,534 adding 'RASPA2/share/raspa/structures/block/FAU.block' 2024-04-26T11:33:13,535 adding 'RASPA2/share/raspa/structures/block/FER.block' 2024-04-26T11:33:13,536 adding 'RASPA2/share/raspa/structures/block/GME.block' 2024-04-26T11:33:13,537 adding 'RASPA2/share/raspa/structures/block/ITQ-12.block' 2024-04-26T11:33:13,538 adding 'RASPA2/share/raspa/structures/block/ITQ-29.block' 2024-04-26T11:33:13,539 adding 'RASPA2/share/raspa/structures/block/ITQ-3.block' 2024-04-26T11:33:13,541 adding 'RASPA2/share/raspa/structures/block/LTA_SI.block' 2024-04-26T11:33:13,542 adding 'RASPA2/share/raspa/structures/block/LTL_SI.block' 2024-04-26T11:33:13,543 adding 'RASPA2/share/raspa/structures/block/MFI_Olson.block' 2024-04-26T11:33:13,544 adding 'RASPA2/share/raspa/structures/block/MFI_SI.block' 2024-04-26T11:33:13,545 adding 'RASPA2/share/raspa/structures/block/MFI_mono.block' 2024-04-26T11:33:13,546 adding 'RASPA2/share/raspa/structures/block/MOR_SI.block' 2024-04-26T11:33:13,547 adding 'RASPA2/share/raspa/structures/block/MTW.block' 2024-04-26T11:33:13,549 adding 'RASPA2/share/raspa/structures/block/TON.block' 2024-04-26T11:33:13,550 adding 'RASPA2/share/raspa/structures/block/test.block' 2024-04-26T11:33:13,556 adding 'RASPA2/share/raspa/structures/cif/AEL.cif' 2024-04-26T11:33:13,557 adding 'RASPA2/share/raspa/structures/cif/AFI_SI.cif' 2024-04-26T11:33:13,558 adding 'RASPA2/share/raspa/structures/cif/AFX_SI.cif' 2024-04-26T11:33:13,560 adding 'RASPA2/share/raspa/structures/cif/ATS.cif' 2024-04-26T11:33:13,561 adding 'RASPA2/share/raspa/structures/cif/AlPO-17.cif' 2024-04-26T11:33:13,563 adding 'RASPA2/share/raspa/structures/cif/AlPO-5.cif' 2024-04-26T11:33:13,564 adding 'RASPA2/share/raspa/structures/cif/BEA.cif' 2024-04-26T11:33:13,565 adding 'RASPA2/share/raspa/structures/cif/BOG_SI.cif' 2024-04-26T11:33:13,567 adding 'RASPA2/share/raspa/structures/cif/CAN-12.cif' 2024-04-26T11:33:13,569 adding 'RASPA2/share/raspa/structures/cif/CFI.cif' 2024-04-26T11:33:13,570 adding 'RASPA2/share/raspa/structures/cif/CHA_SI.cif' 2024-04-26T11:33:13,572 adding 'RASPA2/share/raspa/structures/cif/CHA_SI_mono.cif' 2024-04-26T11:33:13,573 adding 'RASPA2/share/raspa/structures/cif/COF-1.cif' 2024-04-26T11:33:13,575 adding 'RASPA2/share/raspa/structures/cif/COF-102.cif' 2024-04-26T11:33:13,576 adding 'RASPA2/share/raspa/structures/cif/COF-103.cif' 2024-04-26T11:33:13,578 adding 'RASPA2/share/raspa/structures/cif/COF-105.cif' 2024-04-26T11:33:13,579 adding 'RASPA2/share/raspa/structures/cif/COF-108.cif' 2024-04-26T11:33:13,581 adding 'RASPA2/share/raspa/structures/cif/COF-202.cif' 2024-04-26T11:33:13,582 adding 'RASPA2/share/raspa/structures/cif/COF-300.cif' 2024-04-26T11:33:13,583 adding 'RASPA2/share/raspa/structures/cif/COF-5.cif' 2024-04-26T11:33:13,585 adding 'RASPA2/share/raspa/structures/cif/CON.cif' 2024-04-26T11:33:13,586 adding 'RASPA2/share/raspa/structures/cif/Cd3BTB2.cif' 2024-04-26T11:33:13,588 adding 'RASPA2/share/raspa/structures/cif/Co(2,6-NDP).cif' 2024-04-26T11:33:13,589 adding 'RASPA2/share/raspa/structures/cif/Co-DOBDC.cif' 2024-04-26T11:33:13,591 adding 'RASPA2/share/raspa/structures/cif/CoBDP-Dubbeldam.cif' 2024-04-26T11:33:13,592 adding 'RASPA2/share/raspa/structures/cif/CoBDP.cif' 2024-04-26T11:33:13,594 adding 'RASPA2/share/raspa/structures/cif/Cu-BTC.cif' 2024-04-26T11:33:13,595 adding 'RASPA2/share/raspa/structures/cif/DDR.cif' 2024-04-26T11:33:13,597 adding 'RASPA2/share/raspa/structures/cif/DON.cif' 2024-04-26T11:33:13,598 adding 'RASPA2/share/raspa/structures/cif/EMT.cif' 2024-04-26T11:33:13,600 adding 'RASPA2/share/raspa/structures/cif/ERI_SI.cif' 2024-04-26T11:33:13,602 adding 'RASPA2/share/raspa/structures/cif/FAU_SI.cif' 2024-04-26T11:33:13,603 adding 'RASPA2/share/raspa/structures/cif/FER.cif' 2024-04-26T11:33:13,604 adding 'RASPA2/share/raspa/structures/cif/GME.cif' 2024-04-26T11:33:13,606 adding 'RASPA2/share/raspa/structures/cif/IRMOF-1-Ar.cif' 2024-04-26T11:33:13,607 adding 'RASPA2/share/raspa/structures/cif/IRMOF-1.cif' 2024-04-26T11:33:13,609 adding 'RASPA2/share/raspa/structures/cif/IRMOF-10.cif' 2024-04-26T11:33:13,620 adding 'RASPA2/share/raspa/structures/cif/IRMOF-11.cif' 2024-04-26T11:33:13,625 adding 'RASPA2/share/raspa/structures/cif/IRMOF-12.cif' 2024-04-26T11:33:13,626 adding 'RASPA2/share/raspa/structures/cif/IRMOF-13.cif' 2024-04-26T11:33:13,628 adding 'RASPA2/share/raspa/structures/cif/IRMOF-14.cif' 2024-04-26T11:33:13,630 adding 'RASPA2/share/raspa/structures/cif/IRMOF-15.cif' 2024-04-26T11:33:13,634 adding 'RASPA2/share/raspa/structures/cif/IRMOF-16.cif' 2024-04-26T11:33:13,637 adding 'RASPA2/share/raspa/structures/cif/IRMOF-2.cif' 2024-04-26T11:33:13,639 adding 'RASPA2/share/raspa/structures/cif/IRMOF-3.cif' 2024-04-26T11:33:13,644 adding 'RASPA2/share/raspa/structures/cif/IRMOF-4.cif' 2024-04-26T11:33:13,649 adding 'RASPA2/share/raspa/structures/cif/IRMOF-5.cif' 2024-04-26T11:33:13,652 adding 'RASPA2/share/raspa/structures/cif/IRMOF-6.cif' 2024-04-26T11:33:13,655 adding 'RASPA2/share/raspa/structures/cif/IRMOF-7.cif' 2024-04-26T11:33:13,658 adding 'RASPA2/share/raspa/structures/cif/IRMOF-8.cif' 2024-04-26T11:33:13,660 adding 'RASPA2/share/raspa/structures/cif/IRMOF-9.cif' 2024-04-26T11:33:13,661 adding 'RASPA2/share/raspa/structures/cif/ISV.cif' 2024-04-26T11:33:13,663 adding 'RASPA2/share/raspa/structures/cif/ITQ-1.cif' 2024-04-26T11:33:13,664 adding 'RASPA2/share/raspa/structures/cif/ITQ-12.cif' 2024-04-26T11:33:13,666 adding 'RASPA2/share/raspa/structures/cif/ITQ-29.cif' 2024-04-26T11:33:13,667 adding 'RASPA2/share/raspa/structures/cif/ITQ-3.cif' 2024-04-26T11:33:13,668 adding 'RASPA2/share/raspa/structures/cif/ITQ-7.cif' 2024-04-26T11:33:13,670 adding 'RASPA2/share/raspa/structures/cif/KFI.cif' 2024-04-26T11:33:13,671 adding 'RASPA2/share/raspa/structures/cif/LAU.cif' 2024-04-26T11:33:13,673 adding 'RASPA2/share/raspa/structures/cif/LEV.cif' 2024-04-26T11:33:13,674 adding 'RASPA2/share/raspa/structures/cif/LTA4A.cif' 2024-04-26T11:33:13,676 adding 'RASPA2/share/raspa/structures/cif/LTA5A.cif' 2024-04-26T11:33:13,677 adding 'RASPA2/share/raspa/structures/cif/LTA_SI.cif' 2024-04-26T11:33:13,679 adding 'RASPA2/share/raspa/structures/cif/LTL_SI.cif' 2024-04-26T11:33:13,681 adding 'RASPA2/share/raspa/structures/cif/MAF-X8.cif' 2024-04-26T11:33:13,682 adding 'RASPA2/share/raspa/structures/cif/MAZ.cif' 2024-04-26T11:33:13,684 adding 'RASPA2/share/raspa/structures/cif/MEI.cif' 2024-04-26T11:33:13,685 adding 'RASPA2/share/raspa/structures/cif/MEL.cif' 2024-04-26T11:33:13,686 adding 'RASPA2/share/raspa/structures/cif/MFI_SI.cif' 2024-04-26T11:33:13,688 adding 'RASPA2/share/raspa/structures/cif/MFI_SI_Olson.cif' 2024-04-26T11:33:13,690 adding 'RASPA2/share/raspa/structures/cif/MFI_SI_mono.cif' 2024-04-26T11:33:13,691 adding 'RASPA2/share/raspa/structures/cif/MFI_para.cif' 2024-04-26T11:33:13,693 adding 'RASPA2/share/raspa/structures/cif/MFS.cif' 2024-04-26T11:33:13,708 adding 'RASPA2/share/raspa/structures/cif/MIL-100-primitive.cif' 2024-04-26T11:33:13,752 adding 'RASPA2/share/raspa/structures/cif/MIL-100.cif' 2024-04-26T11:33:13,776 adding 'RASPA2/share/raspa/structures/cif/MIL-101-primitive.cif' 2024-04-26T11:33:13,832 adding 'RASPA2/share/raspa/structures/cif/MIL-101.cif' 2024-04-26T11:33:13,839 adding 'RASPA2/share/raspa/structures/cif/MIL-140A-DFT.cif' 2024-04-26T11:33:13,840 adding 'RASPA2/share/raspa/structures/cif/MIL-140B-DFT.cif' 2024-04-26T11:33:13,841 adding 'RASPA2/share/raspa/structures/cif/MIL-140C-DFT.cif' 2024-04-26T11:33:13,843 adding 'RASPA2/share/raspa/structures/cif/MIL-140D-DFT.cif' 2024-04-26T11:33:13,844 adding 'RASPA2/share/raspa/structures/cif/MIL-47.cif' 2024-04-26T11:33:13,846 adding 'RASPA2/share/raspa/structures/cif/MIL-53(Cr)ht.cif' 2024-04-26T11:33:13,847 adding 'RASPA2/share/raspa/structures/cif/MIL-53(Cr)lt.cif' 2024-04-26T11:33:13,848 adding 'RASPA2/share/raspa/structures/cif/MIL-88A-dry.cif' 2024-04-26T11:33:13,850 adding 'RASPA2/share/raspa/structures/cif/MIL-88A-open.cif' 2024-04-26T11:33:13,851 adding 'RASPA2/share/raspa/structures/cif/MIL-88B-dry.cif' 2024-04-26T11:33:13,852 adding 'RASPA2/share/raspa/structures/cif/MIL-88B-open.cif' 2024-04-26T11:33:13,854 adding 'RASPA2/share/raspa/structures/cif/MIL-88C-dry.cif' 2024-04-26T11:33:13,855 adding 'RASPA2/share/raspa/structures/cif/MIL-88C-open.cif' 2024-04-26T11:33:13,857 adding 'RASPA2/share/raspa/structures/cif/MIL-88D-dry.cif' 2024-04-26T11:33:13,858 adding 'RASPA2/share/raspa/structures/cif/MIL-88D-open.cif' 2024-04-26T11:33:13,860 adding 'RASPA2/share/raspa/structures/cif/MOF-1-Dybtsev-dmol.cif' 2024-04-26T11:33:13,862 adding 'RASPA2/share/raspa/structures/cif/MOF-177.cif' 2024-04-26T11:33:13,869 adding 'RASPA2/share/raspa/structures/cif/MOF-177_ortho.cif' 2024-04-26T11:33:13,877 adding 'RASPA2/share/raspa/structures/cif/MOF-200.cif' 2024-04-26T11:33:13,881 adding 'RASPA2/share/raspa/structures/cif/MOF-205.cif' 2024-04-26T11:33:13,884 adding 'RASPA2/share/raspa/structures/cif/MOF-210-primitive.cif' 2024-04-26T11:33:13,887 adding 'RASPA2/share/raspa/structures/cif/MOF-210.cif' 2024-04-26T11:33:13,888 adding 'RASPA2/share/raspa/structures/cif/MOF-69c.cif' 2024-04-26T11:33:13,890 adding 'RASPA2/share/raspa/structures/cif/MOF-70.cif' 2024-04-26T11:33:13,891 adding 'RASPA2/share/raspa/structures/cif/MOF-72.cif' 2024-04-26T11:33:13,893 adding 'RASPA2/share/raspa/structures/cif/MOR_SI.cif' 2024-04-26T11:33:13,894 adding 'RASPA2/share/raspa/structures/cif/MTW_SI.cif' 2024-04-26T11:33:13,896 adding 'RASPA2/share/raspa/structures/cif/Mg-DOBDC.cif' 2024-04-26T11:33:13,897 adding 'RASPA2/share/raspa/structures/cif/MgMOF-74-VASP.cif' 2024-04-26T11:33:13,898 adding 'RASPA2/share/raspa/structures/cif/MgMOF-74-extended-VASP.cif' 2024-04-26T11:33:13,899 adding 'RASPA2/share/raspa/structures/cif/MgMOF-74.cif' 2024-04-26T11:33:13,903 adding 'RASPA2/share/raspa/structures/cif/NU-100SP-primitive.cif' 2024-04-26T11:33:13,913 adding 'RASPA2/share/raspa/structures/cif/NU-100SP.cif' 2024-04-26T11:33:13,918 adding 'RASPA2/share/raspa/structures/cif/NU-108-Cu-primitive.cif' 2024-04-26T11:33:13,920 adding 'RASPA2/share/raspa/structures/cif/NU-108-Cu.cif' 2024-04-26T11:33:13,924 adding 'RASPA2/share/raspa/structures/cif/NU-108-Zn.cif' 2024-04-26T11:33:13,926 adding 'RASPA2/share/raspa/structures/cif/NaX.cif' 2024-04-26T11:33:13,927 adding 'RASPA2/share/raspa/structures/cif/Ni-DOBDC.cif' 2024-04-26T11:33:13,929 adding 'RASPA2/share/raspa/structures/cif/OFF.cif' 2024-04-26T11:33:13,930 adding 'RASPA2/share/raspa/structures/cif/PAU.cif' 2024-04-26T11:33:13,932 adding 'RASPA2/share/raspa/structures/cif/PCN-60.cif' 2024-04-26T11:33:13,934 adding 'RASPA2/share/raspa/structures/cif/PCN-61.cif' 2024-04-26T11:33:13,937 adding 'RASPA2/share/raspa/structures/cif/PCN-68-primitive.cif' 2024-04-26T11:33:13,939 adding 'RASPA2/share/raspa/structures/cif/PCN-68.cif' 2024-04-26T11:33:13,940 adding 'RASPA2/share/raspa/structures/cif/RHO.cif' 2024-04-26T11:33:13,941 adding 'RASPA2/share/raspa/structures/cif/SAPO-47.cif' 2024-04-26T11:33:13,943 adding 'RASPA2/share/raspa/structures/cif/SAPO-56.cif' 2024-04-26T11:33:13,944 adding 'RASPA2/share/raspa/structures/cif/SFF.cif' 2024-04-26T11:33:13,946 adding 'RASPA2/share/raspa/structures/cif/SOD.cif' 2024-04-26T11:33:13,947 adding 'RASPA2/share/raspa/structures/cif/STF.cif' 2024-04-26T11:33:13,952 adding 'RASPA2/share/raspa/structures/cif/SWNT-1-14.cif' 2024-04-26T11:33:13,964 adding 'RASPA2/share/raspa/structures/cif/SWNT-1-23.cif' 2024-04-26T11:33:13,973 adding 'RASPA2/share/raspa/structures/cif/SWNT-10-11.cif' 2024-04-26T11:33:13,982 adding 'RASPA2/share/raspa/structures/cif/SWNT-10-13.cif' 2024-04-26T11:33:13,996 adding 'RASPA2/share/raspa/structures/cif/SWNT-11-18.cif' 2024-04-26T11:33:14,000 adding 'RASPA2/share/raspa/structures/cif/SWNT-3-11.cif' 2024-04-26T11:33:14,011 adding 'RASPA2/share/raspa/structures/cif/SWNT-3-20.cif' 2024-04-26T11:33:14,013 adding 'RASPA2/share/raspa/structures/cif/SWNT-3-9.cif' 2024-04-26T11:33:14,016 adding 'RASPA2/share/raspa/structures/cif/SWNT-4-14.cif' 2024-04-26T11:33:14,017 adding 'RASPA2/share/raspa/structures/cif/TON.cif' 2024-04-26T11:33:14,020 adding 'RASPA2/share/raspa/structures/cif/UIO-66.cif' 2024-04-26T11:33:14,023 adding 'RASPA2/share/raspa/structures/cif/UMCM-1.cif' 2024-04-26T11:33:14,024 adding 'RASPA2/share/raspa/structures/cif/VFI.cif' 2024-04-26T11:33:14,025 adding 'RASPA2/share/raspa/structures/cif/ZIF-1.cif' 2024-04-26T11:33:14,028 adding 'RASPA2/share/raspa/structures/cif/ZIF-10.cif' 2024-04-26T11:33:14,040 adding 'RASPA2/share/raspa/structures/cif/ZIF-11.cif' 2024-04-26T11:33:14,052 adding 'RASPA2/share/raspa/structures/cif/ZIF-12.cif' 2024-04-26T11:33:14,054 adding 'RASPA2/share/raspa/structures/cif/ZIF-2.cif' 2024-04-26T11:33:14,077 adding 'RASPA2/share/raspa/structures/cif/ZIF-20.cif' 2024-04-26T11:33:14,080 adding 'RASPA2/share/raspa/structures/cif/ZIF-3.cif' 2024-04-26T11:33:14,082 adding 'RASPA2/share/raspa/structures/cif/ZIF-4.cif' 2024-04-26T11:33:14,084 adding 'RASPA2/share/raspa/structures/cif/ZIF-5.cif' 2024-04-26T11:33:14,086 adding 'RASPA2/share/raspa/structures/cif/ZIF-6.cif' 2024-04-26T11:33:14,087 adding 'RASPA2/share/raspa/structures/cif/ZIF-68.cif' 2024-04-26T11:33:14,090 adding 'RASPA2/share/raspa/structures/cif/ZIF-69-crystal.cif' 2024-04-26T11:33:14,094 adding 'RASPA2/share/raspa/structures/cif/ZIF-69.cif' 2024-04-26T11:33:14,095 adding 'RASPA2/share/raspa/structures/cif/ZIF-7.cif' 2024-04-26T11:33:14,097 adding 'RASPA2/share/raspa/structures/cif/ZIF-71.cif' 2024-04-26T11:33:14,098 adding 'RASPA2/share/raspa/structures/cif/ZIF-77.cif' 2024-04-26T11:33:14,100 adding 'RASPA2/share/raspa/structures/cif/ZIF-8.cif' 2024-04-26T11:33:14,102 adding 'RASPA2/share/raspa/structures/cif/ZIF-80.cif' 2024-04-26T11:33:14,103 adding 'RASPA2/share/raspa/structures/cif/ZIF-9.cif' 2024-04-26T11:33:14,105 adding 'RASPA2/share/raspa/structures/cif/ZIF-90.cif' 2024-04-26T11:33:14,106 adding 'RASPA2/share/raspa/structures/cif/ZIF-93.cif' 2024-04-26T11:33:14,108 adding 'RASPA2/share/raspa/structures/cif/ZIF-96.cif' 2024-04-26T11:33:14,109 adding 'RASPA2/share/raspa/structures/cif/ZIF-97.cif' 2024-04-26T11:33:14,111 adding 'RASPA2/share/raspa/structures/cif/Zn-DOBDC.cif' 2024-04-26T11:33:14,112 adding 'RASPA2/share/raspa/structures/cif/ZnBDC.cif' 2024-04-26T11:33:14,113 adding 'RASPA2/share/raspa/structures/cif/ZnBDCdabco.cif' 2024-04-26T11:33:14,115 adding 'RASPA2/share/raspa/structures/cif/ZnHBDC.cif' 2024-04-26T11:33:14,116 adding 'RASPA2/share/raspa/structures/cif/ZnMOF-74-VASP.cif' 2024-04-26T11:33:14,117 adding 'RASPA2/share/raspa/structures/cif/ZnMOF-74.cif' 2024-04-26T11:33:14,121 adding 'RASPA2/share/raspa/structures/cif/Zr-TPDC.cif' 2024-04-26T11:33:14,122 adding 'RASPA2/share/raspa/structures/cif/alpha-quartz.cif' 2024-04-26T11:33:14,124 adding 'RASPA2/share/raspa/structures/cif/coesite.cif' 2024-04-26T11:33:14,129 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-10.25A.cif' 2024-04-26T11:33:14,134 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-10.65A.cif' 2024-04-26T11:33:14,139 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-11.0A.cif' 2024-04-26T11:33:14,144 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-11.36A.cif' 2024-04-26T11:33:14,149 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-12.0A.cif' 2024-04-26T11:33:14,154 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-12.78A.cif' 2024-04-26T11:33:14,160 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-13.25A.cif' 2024-04-26T11:33:14,165 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-13.75A.cif' 2024-04-26T11:33:14,170 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-14.2A.cif' 2024-04-26T11:33:14,175 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-15.0A.cif' 2024-04-26T11:33:14,180 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-15.62A.cif' 2024-04-26T11:33:14,189 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-17.04A.cif' 2024-04-26T11:33:14,200 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-18.46A.cif' 2024-04-26T11:33:14,211 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-19.88A.cif' 2024-04-26T11:33:14,217 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-8.52A.cif' 2024-04-26T11:33:14,222 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-9.0A.cif' 2024-04-26T11:33:14,227 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-9.5A.cif' 2024-04-26T11:33:14,232 adding 'RASPA2/share/raspa/structures/cif/graphite-sheet-9.94A.cif' 2024-04-26T11:33:14,244 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-11.36A.cif' 2024-04-26T11:33:14,259 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-12.78A.cif' 2024-04-26T11:33:14,273 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-14.2A.cif' 2024-04-26T11:33:14,290 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-15.62A.cif' 2024-04-26T11:33:14,308 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-17.04A.cif' 2024-04-26T11:33:14,329 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-18.46A.cif' 2024-04-26T11:33:14,350 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-19.88A.cif' 2024-04-26T11:33:14,360 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-8.52A.cif' 2024-04-26T11:33:14,371 adding 'RASPA2/share/raspa/structures/cif/graphite-square-channel-9.94A.cif' 2024-04-26T11:33:14,374 adding 'RASPA2/share/raspa/structures/cif/graphite.cif' 2024-04-26T11:33:14,375 adding 'RASPA2/share/raspa/structures/cif/graphite_ortho.cif' 2024-04-26T11:33:14,376 adding 'RASPA2/share/raspa/structures/cif/quartz.cif' 2024-04-26T11:33:14,378 adding 'RASPA2/share/raspa/structures/ions/IRMOF-1-Ar.ions' 2024-04-26T11:33:16,916 adding 'RASPA2/simulations/lib/libraspa2.cpython-39-arm-linux-gnueabihf.so' 2024-04-26T11:33:17,036 adding 'RASPA2-2.0.3.dist-info/METADATA' 2024-04-26T11:33:17,037 adding 'RASPA2-2.0.3.dist-info/WHEEL' 2024-04-26T11:33:17,038 adding 'RASPA2-2.0.3.dist-info/entry_points.txt' 2024-04-26T11:33:17,039 adding 'RASPA2-2.0.3.dist-info/top_level.txt' 2024-04-26T11:33:17,048 adding 'RASPA2-2.0.3.dist-info/RECORD' 2024-04-26T11:33:17,167 removing build/bdist.linux-armv7l/wheel 2024-04-26T11:33:17,490 Building wheel for raspa2 (setup.py): finished with status 'done' 2024-04-26T11:33:17,570 Created wheel for raspa2: filename=RASPA2-2.0.3-cp39-cp39-linux_armv7l.whl size=7688646 sha256=50889956b267723ba0971f15e156f643aeebf66cef6787dbaad13fc1b6664d4f 2024-04-26T11:33:17,571 Stored in directory: /tmp/pip-ephem-wheel-cache-i663gbfz/wheels/a0/23/08/e7f514f046c26d5d93f933c2e267798ccd2d758f9b2946027b 2024-04-26T11:33:17,600 Successfully built raspa2 2024-04-26T11:33:17,776 Removed build tracker: '/tmp/pip-build-tracker-0rssvgca'