2023-09-08T17:53:32,017 Created temporary directory: /tmp/pip-build-tracker-v7nc7onk 2023-09-08T17:53:32,019 Initialized build tracking at /tmp/pip-build-tracker-v7nc7onk 2023-09-08T17:53:32,019 Created build tracker: /tmp/pip-build-tracker-v7nc7onk 2023-09-08T17:53:32,019 Entered build tracker: /tmp/pip-build-tracker-v7nc7onk 2023-09-08T17:53:32,020 Created temporary directory: /tmp/pip-wheel-unc0tuc8 2023-09-08T17:53:32,023 Created temporary directory: /tmp/pip-ephem-wheel-cache-eglac8wn 2023-09-08T17:53:32,045 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2023-09-08T17:53:32,048 2 location(s) to search for versions of raspa2: 2023-09-08T17:53:32,048 * https://pypi.org/simple/raspa2/ 2023-09-08T17:53:32,048 * https://www.piwheels.org/simple/raspa2/ 2023-09-08T17:53:32,049 Fetching project page and analyzing links: https://pypi.org/simple/raspa2/ 2023-09-08T17:53:32,050 Getting page https://pypi.org/simple/raspa2/ 2023-09-08T17:53:32,051 Found index url https://pypi.org/simple/ 2023-09-08T17:53:32,191 Fetched page https://pypi.org/simple/raspa2/ as application/vnd.pypi.simple.v1+json 2023-09-08T17:53:32,193 Found link https://files.pythonhosted.org/packages/13/96/b7c3139df4febe43380e8391c52883a361aa4c3b1a48ca59cb124a678c43/RASPA2-2.0.0.tar.gz (from https://pypi.org/simple/raspa2/), version: 2.0.0 2023-09-08T17:53:32,194 Found link https://files.pythonhosted.org/packages/73/5d/292863b00a128c69bffbb57894d7fbf959bcea6bf6b9ae7f1dc465a76e3a/RASPA2-2.0.1.tar.gz (from https://pypi.org/simple/raspa2/), version: 2.0.1 2023-09-08T17:53:32,195 Found link https://files.pythonhosted.org/packages/b6/ea/debb1c49fd389a8e1956bce120f2c7cc86d3aa2fe3f12fe320c8a693f208/RASPA2-2.0.2.tar.gz (from https://pypi.org/simple/raspa2/), version: 2.0.2 2023-09-08T17:53:32,195 Skipping link: No binaries permitted for raspa2: https://files.pythonhosted.org/packages/8a/8c/5efbf97988c86f120646e3c575b53b5ce63d09eb6692c11e1a89f288f3a9/RASPA2-2.0.3-cp34-cp34m-macosx_10_5_x86_64.whl (from https://pypi.org/simple/raspa2/) 2023-09-08T17:53:32,196 Found link https://files.pythonhosted.org/packages/98/0d/b750772608f1727fcc1ab455f538d4aa3631943bccecc0309d7bbe7bdd92/RASPA2-2.0.3.tar.gz (from https://pypi.org/simple/raspa2/), version: 2.0.3 2023-09-08T17:53:32,196 Skipping link: No binaries permitted for raspa2: https://files.pythonhosted.org/packages/b9/ae/67a5038d0931d0e444c86487983359e6462f52286eb1840011022ba81a00/RASPA2-2.0.4-cp37-cp37m-macosx_10_9_x86_64.whl (from https://pypi.org/simple/raspa2/) 2023-09-08T17:53:32,197 Skipping link: No binaries permitted for raspa2: https://files.pythonhosted.org/packages/fd/40/5f0c69b05c8f564e6caf3f8c99179b424b02bdbaf3f76aa3d8d947ee382b/RASPA2-2.0.4-cp37-cp37m-manylinux_2_24_x86_64.whl (from https://pypi.org/simple/raspa2/) 2023-09-08T17:53:32,198 Found link https://files.pythonhosted.org/packages/df/7c/6b435fed5080134b1bdeecf82ce490a4d324f3fb87a432b226623f7cd69f/RASPA2-2.0.4.tar.gz (from https://pypi.org/simple/raspa2/), version: 2.0.4 2023-09-08T17:53:32,199 Fetching project page and analyzing links: https://www.piwheels.org/simple/raspa2/ 2023-09-08T17:53:32,199 Getting page https://www.piwheels.org/simple/raspa2/ 2023-09-08T17:53:32,201 Found index url https://www.piwheels.org/simple/ 2023-09-08T17:53:32,451 Fetched page https://www.piwheels.org/simple/raspa2/ as text/html 2023-09-08T17:53:32,456 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.2-cp34-cp34m-linux_armv6l.whl#sha256=145d3b17f0414283b7341581ef85c23156473548ef20114155b1ba0b8c4dbbce (from https://www.piwheels.org/simple/raspa2/) 2023-09-08T17:53:32,456 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.2-cp34-cp34m-linux_armv7l.whl#sha256=145d3b17f0414283b7341581ef85c23156473548ef20114155b1ba0b8c4dbbce (from https://www.piwheels.org/simple/raspa2/) 2023-09-08T17:53:32,457 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.2-cp35-cp35m-linux_armv6l.whl#sha256=a28853c58c0d4db78218d34325b4507e2e61d10c2ac02aef1210d75d3e032a7e (from https://www.piwheels.org/simple/raspa2/) 2023-09-08T17:53:32,458 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.2-cp35-cp35m-linux_armv7l.whl#sha256=a28853c58c0d4db78218d34325b4507e2e61d10c2ac02aef1210d75d3e032a7e (from https://www.piwheels.org/simple/raspa2/) 2023-09-08T17:53:32,459 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.2-cp39-cp39-linux_armv6l.whl#sha256=4931693023f00bdc19259fdaa6ca6047a5e39cb0cc4d7b2c72506ef16c6880e8 (from https://www.piwheels.org/simple/raspa2/) 2023-09-08T17:53:32,459 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.2-cp39-cp39-linux_armv7l.whl#sha256=4931693023f00bdc19259fdaa6ca6047a5e39cb0cc4d7b2c72506ef16c6880e8 (from https://www.piwheels.org/simple/raspa2/) 2023-09-08T17:53:32,460 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.3-cp34-cp34m-linux_armv6l.whl#sha256=d46c1d171046c7643720cdac365443173f1cc39abf1804652a157d2681f4e91d (from https://www.piwheels.org/simple/raspa2/) 2023-09-08T17:53:32,460 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.3-cp34-cp34m-linux_armv7l.whl#sha256=d46c1d171046c7643720cdac365443173f1cc39abf1804652a157d2681f4e91d (from https://www.piwheels.org/simple/raspa2/) 2023-09-08T17:53:32,460 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.3-cp35-cp35m-linux_armv6l.whl#sha256=5358b694dded9a878c55a227dc5c4aaf9fab7b2f79c287ed912ba97591882f12 (from https://www.piwheels.org/simple/raspa2/) 2023-09-08T17:53:32,461 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.3-cp35-cp35m-linux_armv7l.whl#sha256=5358b694dded9a878c55a227dc5c4aaf9fab7b2f79c287ed912ba97591882f12 (from https://www.piwheels.org/simple/raspa2/) 2023-09-08T17:53:32,461 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.4-cp35-cp35m-linux_armv6l.whl#sha256=ec2a374667f2350cc206bf9b00ed6cd65e9f9ebc044c913099a4112700a3ec0f (from https://www.piwheels.org/simple/raspa2/) 2023-09-08T17:53:32,462 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.4-cp35-cp35m-linux_armv7l.whl#sha256=ec2a374667f2350cc206bf9b00ed6cd65e9f9ebc044c913099a4112700a3ec0f (from https://www.piwheels.org/simple/raspa2/) 2023-09-08T17:53:32,463 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.4-cp37-cp37m-linux_armv6l.whl#sha256=3c3310f5920964da463b848531c27ddaabe18597c629ad93fa208207f37a7182 (from https://www.piwheels.org/simple/raspa2/) 2023-09-08T17:53:32,463 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.4-cp37-cp37m-linux_armv7l.whl#sha256=3c3310f5920964da463b848531c27ddaabe18597c629ad93fa208207f37a7182 (from https://www.piwheels.org/simple/raspa2/) 2023-09-08T17:53:32,464 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.4-cp39-cp39-linux_armv6l.whl#sha256=29c51dee509800d0af7ecfa22f50d5bc89c31983e3fa7479206ec0b8c71b3fd0 (from https://www.piwheels.org/simple/raspa2/) 2023-09-08T17:53:32,464 Skipping link: No binaries permitted for raspa2: https://www.piwheels.org/simple/raspa2/RASPA2-2.0.4-cp39-cp39-linux_armv7l.whl#sha256=29c51dee509800d0af7ecfa22f50d5bc89c31983e3fa7479206ec0b8c71b3fd0 (from https://www.piwheels.org/simple/raspa2/) 2023-09-08T17:53:32,465 Skipping link: not a file: https://www.piwheels.org/simple/raspa2/ 2023-09-08T17:53:32,466 Skipping link: not a file: https://pypi.org/simple/raspa2/ 2023-09-08T17:53:32,484 Given no hashes to check 1 links for project 'raspa2': discarding no candidates 2023-09-08T17:53:32,502 Collecting raspa2==2.0.2 2023-09-08T17:53:32,504 Created temporary directory: /tmp/pip-unpack-cmoafd_e 2023-09-08T17:53:33,474 Downloading RASPA2-2.0.2.tar.gz (3.3 MB) 2023-09-08T17:53:36,480 Added raspa2==2.0.2 from https://files.pythonhosted.org/packages/b6/ea/debb1c49fd389a8e1956bce120f2c7cc86d3aa2fe3f12fe320c8a693f208/RASPA2-2.0.2.tar.gz to build tracker '/tmp/pip-build-tracker-v7nc7onk' 2023-09-08T17:53:36,482 Running setup.py (path:/tmp/pip-wheel-unc0tuc8/raspa2_eb2715190bcc4fcaba332258e1e3dcaf/setup.py) egg_info for package raspa2 2023-09-08T17:53:36,483 Created temporary directory: /tmp/pip-pip-egg-info-1sogyg81 2023-09-08T17:53:36,483 Preparing metadata (setup.py): started 2023-09-08T17:53:36,485 Running command python setup.py egg_info 2023-09-08T17:53:38,038 running egg_info 2023-09-08T17:53:38,039 creating /tmp/pip-pip-egg-info-1sogyg81/RASPA2.egg-info 2023-09-08T17:53:38,064 writing /tmp/pip-pip-egg-info-1sogyg81/RASPA2.egg-info/PKG-INFO 2023-09-08T17:53:38,066 writing dependency_links to /tmp/pip-pip-egg-info-1sogyg81/RASPA2.egg-info/dependency_links.txt 2023-09-08T17:53:38,068 writing entry points to /tmp/pip-pip-egg-info-1sogyg81/RASPA2.egg-info/entry_points.txt 2023-09-08T17:53:38,069 writing top-level names to /tmp/pip-pip-egg-info-1sogyg81/RASPA2.egg-info/top_level.txt 2023-09-08T17:53:38,071 writing manifest file '/tmp/pip-pip-egg-info-1sogyg81/RASPA2.egg-info/SOURCES.txt' 2023-09-08T17:53:38,218 reading manifest file '/tmp/pip-pip-egg-info-1sogyg81/RASPA2.egg-info/SOURCES.txt' 2023-09-08T17:53:38,219 reading manifest template 'MANIFEST.in' 2023-09-08T17:53:38,769 writing manifest file '/tmp/pip-pip-egg-info-1sogyg81/RASPA2.egg-info/SOURCES.txt' 2023-09-08T17:53:38,927 Preparing metadata (setup.py): finished with status 'done' 2023-09-08T17:53:38,930 Source in /tmp/pip-wheel-unc0tuc8/raspa2_eb2715190bcc4fcaba332258e1e3dcaf has version 2.0.2, which satisfies requirement raspa2==2.0.2 from https://files.pythonhosted.org/packages/b6/ea/debb1c49fd389a8e1956bce120f2c7cc86d3aa2fe3f12fe320c8a693f208/RASPA2-2.0.2.tar.gz 2023-09-08T17:53:38,931 Removed raspa2==2.0.2 from https://files.pythonhosted.org/packages/b6/ea/debb1c49fd389a8e1956bce120f2c7cc86d3aa2fe3f12fe320c8a693f208/RASPA2-2.0.2.tar.gz from build tracker '/tmp/pip-build-tracker-v7nc7onk' 2023-09-08T17:53:38,935 Created temporary directory: /tmp/pip-unpack-e0u8yhzq 2023-09-08T17:53:38,936 Created temporary directory: /tmp/pip-unpack-sjdjqe1n 2023-09-08T17:53:38,939 Building wheels for collected packages: raspa2 2023-09-08T17:53:38,943 Created temporary directory: /tmp/pip-wheel-ju9udswr 2023-09-08T17:53:38,943 Building wheel for raspa2 (setup.py): started 2023-09-08T17:53:38,945 Destination directory: /tmp/pip-wheel-ju9udswr 2023-09-08T17:53:38,945 Running command python setup.py bdist_wheel 2023-09-08T17:53:40,358 running bdist_wheel 2023-09-08T17:53:40,452 running build 2023-09-08T17:53:40,452 running build_py 2023-09-08T17:53:40,478 creating build 2023-09-08T17:53:40,479 creating build/lib.linux-armv7l-cpython-311 2023-09-08T17:53:40,479 creating build/lib.linux-armv7l-cpython-311/RASPA2 2023-09-08T17:53:40,481 copying python/raspa2.py -> build/lib.linux-armv7l-cpython-311/RASPA2 2023-09-08T17:53:40,483 copying python/__init__.py -> build/lib.linux-armv7l-cpython-311/RASPA2 2023-09-08T17:53:40,485 copying python/output_parser.py -> build/lib.linux-armv7l-cpython-311/RASPA2 2023-09-08T17:53:40,488 running egg_info 2023-09-08T17:53:40,542 writing RASPA2.egg-info/PKG-INFO 2023-09-08T17:53:40,545 writing dependency_links to RASPA2.egg-info/dependency_links.txt 2023-09-08T17:53:40,547 writing entry points to RASPA2.egg-info/entry_points.txt 2023-09-08T17:53:40,548 writing top-level names to RASPA2.egg-info/top_level.txt 2023-09-08T17:53:40,629 reading manifest file 'RASPA2.egg-info/SOURCES.txt' 2023-09-08T17:53:40,653 reading manifest template 'MANIFEST.in' 2023-09-08T17:53:41,197 writing manifest file 'RASPA2.egg-info/SOURCES.txt' 2023-09-08T17:53:41,201 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.forcefield.AmirjalayerSchmid' is absent from the `packages` configuration. 2023-09-08T17:53:41,201 !! 2023-09-08T17:53:41,203 ******************************************************************************** 2023-09-08T17:53:41,203 ############################ 2023-09-08T17:53:41,203 # Package would be ignored # 2023-09-08T17:53:41,204 ############################ 2023-09-08T17:53:41,204 Python recognizes 'RASPA2.share.raspa.forcefield.AmirjalayerSchmid' as an importable package[^1], 2023-09-08T17:53:41,205 but it is absent from setuptools' `packages` configuration. 2023-09-08T17:53:41,206 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T17:53:41,206 package, please make sure that 'RASPA2.share.raspa.forcefield.AmirjalayerSchmid' is explicitly added 2023-09-08T17:53:41,206 to the `packages` configuration field. 2023-09-08T17:53:41,207 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T17:53:41,208 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T17:53:41,208 instead of `find_packages(...)`/`find:`). 2023-09-08T17:53:41,209 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T17:53:41,210 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T17:53:41,211 If you don't want 'RASPA2.share.raspa.forcefield.AmirjalayerSchmid' to be distributed and are 2023-09-08T17:53:41,211 already explicitly excluding 'RASPA2.share.raspa.forcefield.AmirjalayerSchmid' via 2023-09-08T17:53:41,212 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T17:53:41,212 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T17:53:41,213 combination with a more fine grained `package-data` configuration. 2023-09-08T17:53:41,214 You can read more about "package data files" on setuptools documentation page: 2023-09-08T17:53:41,215 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T17:53:41,216 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T17:53:41,217 even if it does not contain any `.py` files. 2023-09-08T17:53:41,218 On the other hand, currently there is no concept of package data 2023-09-08T17:53:41,218 directory, all directories are treated like packages. 2023-09-08T17:53:41,219 ******************************************************************************** 2023-09-08T17:53:41,220 !! 2023-09-08T17:53:41,221 check.warn(importable) 2023-09-08T17:53:41,221 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.forcefield.CastilloVlugtCalero2009' is absent from the `packages` configuration. 2023-09-08T17:53:41,222 !! 2023-09-08T17:53:41,223 ******************************************************************************** 2023-09-08T17:53:41,223 ############################ 2023-09-08T17:53:41,224 # Package would be ignored # 2023-09-08T17:53:41,224 ############################ 2023-09-08T17:53:41,225 Python recognizes 'RASPA2.share.raspa.forcefield.CastilloVlugtCalero2009' as an importable package[^1], 2023-09-08T17:53:41,225 but it is absent from setuptools' `packages` configuration. 2023-09-08T17:53:41,226 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T17:53:41,227 package, please make sure that 'RASPA2.share.raspa.forcefield.CastilloVlugtCalero2009' is explicitly added 2023-09-08T17:53:41,227 to the `packages` configuration field. 2023-09-08T17:53:41,228 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T17:53:41,229 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T17:53:41,229 instead of `find_packages(...)`/`find:`). 2023-09-08T17:53:41,231 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T17:53:41,231 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T17:53:41,232 If you don't want 'RASPA2.share.raspa.forcefield.CastilloVlugtCalero2009' to be distributed and are 2023-09-08T17:53:41,232 already explicitly excluding 'RASPA2.share.raspa.forcefield.CastilloVlugtCalero2009' via 2023-09-08T17:53:41,233 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T17:53:41,233 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T17:53:41,233 combination with a more fine grained `package-data` configuration. 2023-09-08T17:53:41,234 You can read more about "package data files" on setuptools documentation page: 2023-09-08T17:53:41,235 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T17:53:41,236 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T17:53:41,236 even if it does not contain any `.py` files. 2023-09-08T17:53:41,237 On the other hand, currently there is no concept of package data 2023-09-08T17:53:41,237 directory, all directories are treated like packages. 2023-09-08T17:53:41,237 ******************************************************************************** 2023-09-08T17:53:41,238 !! 2023-09-08T17:53:41,238 check.warn(importable) 2023-09-08T17:53:41,239 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.forcefield.CoreShellCatlow' is absent from the `packages` configuration. 2023-09-08T17:53:41,239 !! 2023-09-08T17:53:41,240 ******************************************************************************** 2023-09-08T17:53:41,241 ############################ 2023-09-08T17:53:41,241 # Package would be ignored # 2023-09-08T17:53:41,242 ############################ 2023-09-08T17:53:41,242 Python recognizes 'RASPA2.share.raspa.forcefield.CoreShellCatlow' as an importable package[^1], 2023-09-08T17:53:41,243 but it is absent from setuptools' `packages` configuration. 2023-09-08T17:53:41,244 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T17:53:41,244 package, please make sure that 'RASPA2.share.raspa.forcefield.CoreShellCatlow' is explicitly added 2023-09-08T17:53:41,245 to the `packages` configuration field. 2023-09-08T17:53:41,246 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T17:53:41,246 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T17:53:41,247 instead of `find_packages(...)`/`find:`). 2023-09-08T17:53:41,248 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T17:53:41,249 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T17:53:41,250 If you don't want 'RASPA2.share.raspa.forcefield.CoreShellCatlow' to be distributed and are 2023-09-08T17:53:41,250 already explicitly excluding 'RASPA2.share.raspa.forcefield.CoreShellCatlow' via 2023-09-08T17:53:41,251 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T17:53:41,251 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T17:53:41,252 combination with a more fine grained `package-data` configuration. 2023-09-08T17:53:41,253 You can read more about "package data files" on setuptools documentation page: 2023-09-08T17:53:41,254 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T17:53:41,256 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T17:53:41,256 even if it does not contain any `.py` files. 2023-09-08T17:53:41,257 On the other hand, currently there is no concept of package data 2023-09-08T17:53:41,257 directory, all directories are treated like packages. 2023-09-08T17:53:41,258 ******************************************************************************** 2023-09-08T17:53:41,258 !! 2023-09-08T17:53:41,259 check.warn(importable) 2023-09-08T17:53:41,259 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.forcefield.CoreShellSastreGale2005' is absent from the `packages` configuration. 2023-09-08T17:53:41,259 !! 2023-09-08T17:53:41,260 ******************************************************************************** 2023-09-08T17:53:41,261 ############################ 2023-09-08T17:53:41,261 # Package would be ignored # 2023-09-08T17:53:41,261 ############################ 2023-09-08T17:53:41,262 Python recognizes 'RASPA2.share.raspa.forcefield.CoreShellSastreGale2005' as an importable package[^1], 2023-09-08T17:53:41,262 but it is absent from setuptools' `packages` configuration. 2023-09-08T17:53:41,263 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T17:53:41,263 package, please make sure that 'RASPA2.share.raspa.forcefield.CoreShellSastreGale2005' is explicitly added 2023-09-08T17:53:41,264 to the `packages` configuration field. 2023-09-08T17:53:41,264 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T17:53:41,265 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T17:53:41,265 instead of `find_packages(...)`/`find:`). 2023-09-08T17:53:41,266 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T17:53:41,267 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T17:53:41,268 If you don't want 'RASPA2.share.raspa.forcefield.CoreShellSastreGale2005' to be distributed and are 2023-09-08T17:53:41,269 already explicitly excluding 'RASPA2.share.raspa.forcefield.CoreShellSastreGale2005' via 2023-09-08T17:53:41,269 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T17:53:41,270 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T17:53:41,270 combination with a more fine grained `package-data` configuration. 2023-09-08T17:53:41,271 You can read more about "package data files" on setuptools documentation page: 2023-09-08T17:53:41,272 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T17:53:41,274 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T17:53:41,274 even if it does not contain any `.py` files. 2023-09-08T17:53:41,275 On the other hand, currently there is no concept of package data 2023-09-08T17:53:41,275 directory, all directories are treated like packages. 2023-09-08T17:53:41,276 ******************************************************************************** 2023-09-08T17:53:41,276 !! 2023-09-08T17:53:41,277 check.warn(importable) 2023-09-08T17:53:41,278 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.forcefield.CoreShellSchroderSauer' is absent from the `packages` configuration. 2023-09-08T17:53:41,278 !! 2023-09-08T17:53:41,279 ******************************************************************************** 2023-09-08T17:53:41,280 ############################ 2023-09-08T17:53:41,280 # Package would be ignored # 2023-09-08T17:53:41,281 ############################ 2023-09-08T17:53:41,281 Python recognizes 'RASPA2.share.raspa.forcefield.CoreShellSchroderSauer' as an importable package[^1], 2023-09-08T17:53:41,282 but it is absent from setuptools' `packages` configuration. 2023-09-08T17:53:41,283 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T17:53:41,283 package, please make sure that 'RASPA2.share.raspa.forcefield.CoreShellSchroderSauer' is explicitly added 2023-09-08T17:53:41,284 to the `packages` configuration field. 2023-09-08T17:53:41,284 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T17:53:41,285 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T17:53:41,285 instead of `find_packages(...)`/`find:`). 2023-09-08T17:53:41,286 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T17:53:41,286 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T17:53:41,287 If you don't want 'RASPA2.share.raspa.forcefield.CoreShellSchroderSauer' to be distributed and are 2023-09-08T17:53:41,288 already explicitly excluding 'RASPA2.share.raspa.forcefield.CoreShellSchroderSauer' via 2023-09-08T17:53:41,288 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T17:53:41,288 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T17:53:41,289 combination with a more fine grained `package-data` configuration. 2023-09-08T17:53:41,290 You can read more about "package data files" on setuptools documentation page: 2023-09-08T17:53:41,291 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T17:53:41,292 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T17:53:41,293 even if it does not contain any `.py` files. 2023-09-08T17:53:41,293 On the other hand, currently there is no concept of package data 2023-09-08T17:53:41,293 directory, all directories are treated like packages. 2023-09-08T17:53:41,294 ******************************************************************************** 2023-09-08T17:53:41,295 !! 2023-09-08T17:53:41,296 check.warn(importable) 2023-09-08T17:53:41,296 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.forcefield.CrystalGenerator' is absent from the `packages` configuration. 2023-09-08T17:53:41,296 !! 2023-09-08T17:53:41,298 ******************************************************************************** 2023-09-08T17:53:41,298 ############################ 2023-09-08T17:53:41,299 # Package would be ignored # 2023-09-08T17:53:41,299 ############################ 2023-09-08T17:53:41,300 Python recognizes 'RASPA2.share.raspa.forcefield.CrystalGenerator' as an importable package[^1], 2023-09-08T17:53:41,300 but it is absent from setuptools' `packages` configuration. 2023-09-08T17:53:41,301 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T17:53:41,302 package, please make sure that 'RASPA2.share.raspa.forcefield.CrystalGenerator' is explicitly added 2023-09-08T17:53:41,302 to the `packages` configuration field. 2023-09-08T17:53:41,303 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T17:53:41,303 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T17:53:41,304 instead of `find_packages(...)`/`find:`). 2023-09-08T17:53:41,305 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T17:53:41,306 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T17:53:41,307 If you don't want 'RASPA2.share.raspa.forcefield.CrystalGenerator' to be distributed and are 2023-09-08T17:53:41,308 already explicitly excluding 'RASPA2.share.raspa.forcefield.CrystalGenerator' via 2023-09-08T17:53:41,309 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T17:53:41,309 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T17:53:41,309 combination with a more fine grained `package-data` configuration. 2023-09-08T17:53:41,310 You can read more about "package data files" on setuptools documentation page: 2023-09-08T17:53:41,311 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T17:53:41,312 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T17:53:41,312 even if it does not contain any `.py` files. 2023-09-08T17:53:41,313 On the other hand, currently there is no concept of package data 2023-09-08T17:53:41,313 directory, all directories are treated like packages. 2023-09-08T17:53:41,313 ******************************************************************************** 2023-09-08T17:53:41,314 !! 2023-09-08T17:53:41,314 check.warn(importable) 2023-09-08T17:53:41,315 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.forcefield' is absent from the `packages` configuration. 2023-09-08T17:53:41,315 !! 2023-09-08T17:53:41,316 ******************************************************************************** 2023-09-08T17:53:41,316 ############################ 2023-09-08T17:53:41,317 # Package would be ignored # 2023-09-08T17:53:41,317 ############################ 2023-09-08T17:53:41,317 Python recognizes 'RASPA2.share.raspa.forcefield' as an importable package[^1], 2023-09-08T17:53:41,318 but it is absent from setuptools' `packages` configuration. 2023-09-08T17:53:41,319 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T17:53:41,320 package, please make sure that 'RASPA2.share.raspa.forcefield' is explicitly added 2023-09-08T17:53:41,320 to the `packages` configuration field. 2023-09-08T17:53:41,321 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T17:53:41,322 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T17:53:41,322 instead of `find_packages(...)`/`find:`). 2023-09-08T17:53:41,323 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T17:53:41,324 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T17:53:41,325 If you don't want 'RASPA2.share.raspa.forcefield' to be distributed and are 2023-09-08T17:53:41,326 already explicitly excluding 'RASPA2.share.raspa.forcefield' via 2023-09-08T17:53:41,326 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T17:53:41,327 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T17:53:41,327 combination with a more fine grained `package-data` configuration. 2023-09-08T17:53:41,328 You can read more about "package data files" on setuptools documentation page: 2023-09-08T17:53:41,329 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T17:53:41,330 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T17:53:41,331 even if it does not contain any `.py` files. 2023-09-08T17:53:41,332 On the other hand, currently there is no concept of package data 2023-09-08T17:53:41,332 directory, all directories are treated like packages. 2023-09-08T17:53:41,333 ******************************************************************************** 2023-09-08T17:53:41,334 !! 2023-09-08T17:53:41,334 check.warn(importable) 2023-09-08T17:53:41,335 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.forcefield.GarciaPerez2006' is absent from the `packages` configuration. 2023-09-08T17:53:41,335 !! 2023-09-08T17:53:41,336 ******************************************************************************** 2023-09-08T17:53:41,336 ############################ 2023-09-08T17:53:41,336 # Package would be ignored # 2023-09-08T17:53:41,337 ############################ 2023-09-08T17:53:41,337 Python recognizes 'RASPA2.share.raspa.forcefield.GarciaPerez2006' as an importable package[^1], 2023-09-08T17:53:41,337 but it is absent from setuptools' `packages` configuration. 2023-09-08T17:53:41,338 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T17:53:41,338 package, please make sure that 'RASPA2.share.raspa.forcefield.GarciaPerez2006' is explicitly added 2023-09-08T17:53:41,339 to the `packages` configuration field. 2023-09-08T17:53:41,340 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T17:53:41,340 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T17:53:41,340 instead of `find_packages(...)`/`find:`). 2023-09-08T17:53:41,341 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T17:53:41,342 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T17:53:41,342 If you don't want 'RASPA2.share.raspa.forcefield.GarciaPerez2006' to be distributed and are 2023-09-08T17:53:41,343 already explicitly excluding 'RASPA2.share.raspa.forcefield.GarciaPerez2006' via 2023-09-08T17:53:41,343 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T17:53:41,344 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T17:53:41,345 combination with a more fine grained `package-data` configuration. 2023-09-08T17:53:41,346 You can read more about "package data files" on setuptools documentation page: 2023-09-08T17:53:41,347 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T17:53:41,348 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T17:53:41,349 even if it does not contain any `.py` files. 2023-09-08T17:53:41,349 On the other hand, currently there is no concept of package data 2023-09-08T17:53:41,350 directory, all directories are treated like packages. 2023-09-08T17:53:41,351 ******************************************************************************** 2023-09-08T17:53:41,351 !! 2023-09-08T17:53:41,352 check.warn(importable) 2023-09-08T17:53:41,352 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.forcefield.GenericMOFs' is absent from the `packages` configuration. 2023-09-08T17:53:41,353 !! 2023-09-08T17:53:41,354 ******************************************************************************** 2023-09-08T17:53:41,354 ############################ 2023-09-08T17:53:41,355 # Package would be ignored # 2023-09-08T17:53:41,355 ############################ 2023-09-08T17:53:41,356 Python recognizes 'RASPA2.share.raspa.forcefield.GenericMOFs' as an importable package[^1], 2023-09-08T17:53:41,356 but it is absent from setuptools' `packages` configuration. 2023-09-08T17:53:41,357 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T17:53:41,358 package, please make sure that 'RASPA2.share.raspa.forcefield.GenericMOFs' is explicitly added 2023-09-08T17:53:41,358 to the `packages` configuration field. 2023-09-08T17:53:41,359 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T17:53:41,360 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T17:53:41,360 instead of `find_packages(...)`/`find:`). 2023-09-08T17:53:41,361 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T17:53:41,362 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T17:53:41,362 If you don't want 'RASPA2.share.raspa.forcefield.GenericMOFs' to be distributed and are 2023-09-08T17:53:41,363 already explicitly excluding 'RASPA2.share.raspa.forcefield.GenericMOFs' via 2023-09-08T17:53:41,363 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T17:53:41,364 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T17:53:41,364 combination with a more fine grained `package-data` configuration. 2023-09-08T17:53:41,365 You can read more about "package data files" on setuptools documentation page: 2023-09-08T17:53:41,366 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T17:53:41,367 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T17:53:41,367 even if it does not contain any `.py` files. 2023-09-08T17:53:41,368 On the other hand, currently there is no concept of package data 2023-09-08T17:53:41,368 directory, all directories are treated like packages. 2023-09-08T17:53:41,368 ******************************************************************************** 2023-09-08T17:53:41,370 !! 2023-09-08T17:53:41,370 check.warn(importable) 2023-09-08T17:53:41,371 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.forcefield.GenericZeolites' is absent from the `packages` configuration. 2023-09-08T17:53:41,371 !! 2023-09-08T17:53:41,373 ******************************************************************************** 2023-09-08T17:53:41,373 ############################ 2023-09-08T17:53:41,374 # Package would be ignored # 2023-09-08T17:53:41,374 ############################ 2023-09-08T17:53:41,375 Python recognizes 'RASPA2.share.raspa.forcefield.GenericZeolites' as an importable package[^1], 2023-09-08T17:53:41,375 but it is absent from setuptools' `packages` configuration. 2023-09-08T17:53:41,377 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T17:53:41,377 package, please make sure that 'RASPA2.share.raspa.forcefield.GenericZeolites' is explicitly added 2023-09-08T17:53:41,378 to the `packages` configuration field. 2023-09-08T17:53:41,379 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T17:53:41,379 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T17:53:41,379 instead of `find_packages(...)`/`find:`). 2023-09-08T17:53:41,380 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T17:53:41,381 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T17:53:41,382 If you don't want 'RASPA2.share.raspa.forcefield.GenericZeolites' to be distributed and are 2023-09-08T17:53:41,383 already explicitly excluding 'RASPA2.share.raspa.forcefield.GenericZeolites' via 2023-09-08T17:53:41,383 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T17:53:41,384 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T17:53:41,384 combination with a more fine grained `package-data` configuration. 2023-09-08T17:53:41,385 You can read more about "package data files" on setuptools documentation page: 2023-09-08T17:53:41,387 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T17:53:41,388 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T17:53:41,388 even if it does not contain any `.py` files. 2023-09-08T17:53:41,388 On the other hand, currently there is no concept of package data 2023-09-08T17:53:41,389 directory, all directories are treated like packages. 2023-09-08T17:53:41,389 ******************************************************************************** 2023-09-08T17:53:41,390 !! 2023-09-08T17:53:41,390 check.warn(importable) 2023-09-08T17:53:41,390 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.forcefield.Nicholas' is absent from the `packages` configuration. 2023-09-08T17:53:41,391 !! 2023-09-08T17:53:41,391 ******************************************************************************** 2023-09-08T17:53:41,392 ############################ 2023-09-08T17:53:41,392 # Package would be ignored # 2023-09-08T17:53:41,393 ############################ 2023-09-08T17:53:41,393 Python recognizes 'RASPA2.share.raspa.forcefield.Nicholas' as an importable package[^1], 2023-09-08T17:53:41,393 but it is absent from setuptools' `packages` configuration. 2023-09-08T17:53:41,394 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T17:53:41,395 package, please make sure that 'RASPA2.share.raspa.forcefield.Nicholas' is explicitly added 2023-09-08T17:53:41,395 to the `packages` configuration field. 2023-09-08T17:53:41,396 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T17:53:41,397 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T17:53:41,397 instead of `find_packages(...)`/`find:`). 2023-09-08T17:53:41,399 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T17:53:41,400 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T17:53:41,401 If you don't want 'RASPA2.share.raspa.forcefield.Nicholas' to be distributed and are 2023-09-08T17:53:41,401 already explicitly excluding 'RASPA2.share.raspa.forcefield.Nicholas' via 2023-09-08T17:53:41,402 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T17:53:41,402 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T17:53:41,403 combination with a more fine grained `package-data` configuration. 2023-09-08T17:53:41,404 You can read more about "package data files" on setuptools documentation page: 2023-09-08T17:53:41,405 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T17:53:41,406 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T17:53:41,407 even if it does not contain any `.py` files. 2023-09-08T17:53:41,407 On the other hand, currently there is no concept of package data 2023-09-08T17:53:41,408 directory, all directories are treated like packages. 2023-09-08T17:53:41,408 ******************************************************************************** 2023-09-08T17:53:41,409 !! 2023-09-08T17:53:41,410 check.warn(importable) 2023-09-08T17:53:41,410 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.forcefield.Pascual2004' is absent from the `packages` configuration. 2023-09-08T17:53:41,411 !! 2023-09-08T17:53:41,412 ******************************************************************************** 2023-09-08T17:53:41,412 ############################ 2023-09-08T17:53:41,413 # Package would be ignored # 2023-09-08T17:53:41,414 ############################ 2023-09-08T17:53:41,414 Python recognizes 'RASPA2.share.raspa.forcefield.Pascual2004' as an importable package[^1], 2023-09-08T17:53:41,414 but it is absent from setuptools' `packages` configuration. 2023-09-08T17:53:41,415 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T17:53:41,415 package, please make sure that 'RASPA2.share.raspa.forcefield.Pascual2004' is explicitly added 2023-09-08T17:53:41,416 to the `packages` configuration field. 2023-09-08T17:53:41,416 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T17:53:41,417 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T17:53:41,417 instead of `find_packages(...)`/`find:`). 2023-09-08T17:53:41,418 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T17:53:41,419 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T17:53:41,419 If you don't want 'RASPA2.share.raspa.forcefield.Pascual2004' to be distributed and are 2023-09-08T17:53:41,420 already explicitly excluding 'RASPA2.share.raspa.forcefield.Pascual2004' via 2023-09-08T17:53:41,420 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T17:53:41,420 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T17:53:41,421 combination with a more fine grained `package-data` configuration. 2023-09-08T17:53:41,422 You can read more about "package data files" on setuptools documentation page: 2023-09-08T17:53:41,423 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T17:53:41,424 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T17:53:41,425 even if it does not contain any `.py` files. 2023-09-08T17:53:41,426 On the other hand, currently there is no concept of package data 2023-09-08T17:53:41,426 directory, all directories are treated like packages. 2023-09-08T17:53:41,427 ******************************************************************************** 2023-09-08T17:53:41,428 !! 2023-09-08T17:53:41,428 check.warn(importable) 2023-09-08T17:53:41,429 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.forcefield.RigidIonKramer1991' is absent from the `packages` configuration. 2023-09-08T17:53:41,430 !! 2023-09-08T17:53:41,431 ******************************************************************************** 2023-09-08T17:53:41,431 ############################ 2023-09-08T17:53:41,432 # Package would be ignored # 2023-09-08T17:53:41,432 ############################ 2023-09-08T17:53:41,432 Python recognizes 'RASPA2.share.raspa.forcefield.RigidIonKramer1991' as an importable package[^1], 2023-09-08T17:53:41,433 but it is absent from setuptools' `packages` configuration. 2023-09-08T17:53:41,434 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T17:53:41,434 package, please make sure that 'RASPA2.share.raspa.forcefield.RigidIonKramer1991' is explicitly added 2023-09-08T17:53:41,435 to the `packages` configuration field. 2023-09-08T17:53:41,436 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T17:53:41,437 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T17:53:41,437 instead of `find_packages(...)`/`find:`). 2023-09-08T17:53:41,438 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T17:53:41,439 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T17:53:41,441 If you don't want 'RASPA2.share.raspa.forcefield.RigidIonKramer1991' to be distributed and are 2023-09-08T17:53:41,441 already explicitly excluding 'RASPA2.share.raspa.forcefield.RigidIonKramer1991' via 2023-09-08T17:53:41,442 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T17:53:41,442 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T17:53:41,442 combination with a more fine grained `package-data` configuration. 2023-09-08T17:53:41,443 You can read more about "package data files" on setuptools documentation page: 2023-09-08T17:53:41,444 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T17:53:41,445 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T17:53:41,445 even if it does not contain any `.py` files. 2023-09-08T17:53:41,446 On the other hand, currently there is no concept of package data 2023-09-08T17:53:41,446 directory, all directories are treated like packages. 2023-09-08T17:53:41,447 ******************************************************************************** 2023-09-08T17:53:41,447 !! 2023-09-08T17:53:41,448 check.warn(importable) 2023-09-08T17:53:41,448 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.forcefield.TraPPE' is absent from the `packages` configuration. 2023-09-08T17:53:41,449 !! 2023-09-08T17:53:41,450 ******************************************************************************** 2023-09-08T17:53:41,450 ############################ 2023-09-08T17:53:41,451 # Package would be ignored # 2023-09-08T17:53:41,451 ############################ 2023-09-08T17:53:41,452 Python recognizes 'RASPA2.share.raspa.forcefield.TraPPE' as an importable package[^1], 2023-09-08T17:53:41,452 but it is absent from setuptools' `packages` configuration. 2023-09-08T17:53:41,453 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T17:53:41,454 package, please make sure that 'RASPA2.share.raspa.forcefield.TraPPE' is explicitly added 2023-09-08T17:53:41,455 to the `packages` configuration field. 2023-09-08T17:53:41,455 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T17:53:41,456 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T17:53:41,457 instead of `find_packages(...)`/`find:`). 2023-09-08T17:53:41,458 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T17:53:41,459 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T17:53:41,459 If you don't want 'RASPA2.share.raspa.forcefield.TraPPE' to be distributed and are 2023-09-08T17:53:41,460 already explicitly excluding 'RASPA2.share.raspa.forcefield.TraPPE' via 2023-09-08T17:53:41,460 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T17:53:41,461 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T17:53:41,461 combination with a more fine grained `package-data` configuration. 2023-09-08T17:53:41,462 You can read more about "package data files" on setuptools documentation page: 2023-09-08T17:53:41,463 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T17:53:41,465 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T17:53:41,466 even if it does not contain any `.py` files. 2023-09-08T17:53:41,466 On the other hand, currently there is no concept of package data 2023-09-08T17:53:41,467 directory, all directories are treated like packages. 2023-09-08T17:53:41,467 ******************************************************************************** 2023-09-08T17:53:41,468 !! 2023-09-08T17:53:41,469 check.warn(importable) 2023-09-08T17:53:41,469 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.framework.AmirjalayerSchmid' is absent from the `packages` configuration. 2023-09-08T17:53:41,470 !! 2023-09-08T17:53:41,470 ******************************************************************************** 2023-09-08T17:53:41,471 ############################ 2023-09-08T17:53:41,471 # Package would be ignored # 2023-09-08T17:53:41,471 ############################ 2023-09-08T17:53:41,472 Python recognizes 'RASPA2.share.raspa.framework.AmirjalayerSchmid' as an importable package[^1], 2023-09-08T17:53:41,472 but it is absent from setuptools' `packages` configuration. 2023-09-08T17:53:41,473 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T17:53:41,473 package, please make sure that 'RASPA2.share.raspa.framework.AmirjalayerSchmid' is explicitly added 2023-09-08T17:53:41,474 to the `packages` configuration field. 2023-09-08T17:53:41,474 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T17:53:41,475 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T17:53:41,475 instead of `find_packages(...)`/`find:`). 2023-09-08T17:53:41,476 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T17:53:41,477 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T17:53:41,478 If you don't want 'RASPA2.share.raspa.framework.AmirjalayerSchmid' to be distributed and are 2023-09-08T17:53:41,478 already explicitly excluding 'RASPA2.share.raspa.framework.AmirjalayerSchmid' via 2023-09-08T17:53:41,479 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T17:53:41,479 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T17:53:41,480 combination with a more fine grained `package-data` configuration. 2023-09-08T17:53:41,481 You can read more about "package data files" on setuptools documentation page: 2023-09-08T17:53:41,482 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T17:53:41,484 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T17:53:41,484 even if it does not contain any `.py` files. 2023-09-08T17:53:41,485 On the other hand, currently there is no concept of package data 2023-09-08T17:53:41,486 directory, all directories are treated like packages. 2023-09-08T17:53:41,486 ******************************************************************************** 2023-09-08T17:53:41,487 !! 2023-09-08T17:53:41,488 check.warn(importable) 2023-09-08T17:53:41,488 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.framework.CoreShellCatlow' is absent from the `packages` configuration. 2023-09-08T17:53:41,489 !! 2023-09-08T17:53:41,490 ******************************************************************************** 2023-09-08T17:53:41,490 ############################ 2023-09-08T17:53:41,491 # Package would be ignored # 2023-09-08T17:53:41,491 ############################ 2023-09-08T17:53:41,492 Python recognizes 'RASPA2.share.raspa.framework.CoreShellCatlow' as an importable package[^1], 2023-09-08T17:53:41,492 but it is absent from setuptools' `packages` configuration. 2023-09-08T17:53:41,494 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T17:53:41,494 package, please make sure that 'RASPA2.share.raspa.framework.CoreShellCatlow' is explicitly added 2023-09-08T17:53:41,495 to the `packages` configuration field. 2023-09-08T17:53:41,496 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T17:53:41,496 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T17:53:41,496 instead of `find_packages(...)`/`find:`). 2023-09-08T17:53:41,497 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T17:53:41,498 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T17:53:41,499 If you don't want 'RASPA2.share.raspa.framework.CoreShellCatlow' to be distributed and are 2023-09-08T17:53:41,499 already explicitly excluding 'RASPA2.share.raspa.framework.CoreShellCatlow' via 2023-09-08T17:53:41,499 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T17:53:41,500 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T17:53:41,500 combination with a more fine grained `package-data` configuration. 2023-09-08T17:53:41,501 You can read more about "package data files" on setuptools documentation page: 2023-09-08T17:53:41,502 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T17:53:41,503 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T17:53:41,503 even if it does not contain any `.py` files. 2023-09-08T17:53:41,504 On the other hand, currently there is no concept of package data 2023-09-08T17:53:41,504 directory, all directories are treated like packages. 2023-09-08T17:53:41,505 ******************************************************************************** 2023-09-08T17:53:41,506 !! 2023-09-08T17:53:41,507 check.warn(importable) 2023-09-08T17:53:41,507 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.framework.CoreShellSastreGale2005' is absent from the `packages` configuration. 2023-09-08T17:53:41,508 !! 2023-09-08T17:53:41,509 ******************************************************************************** 2023-09-08T17:53:41,510 ############################ 2023-09-08T17:53:41,510 # Package would be ignored # 2023-09-08T17:53:41,511 ############################ 2023-09-08T17:53:41,511 Python recognizes 'RASPA2.share.raspa.framework.CoreShellSastreGale2005' as an importable package[^1], 2023-09-08T17:53:41,512 but it is absent from setuptools' `packages` configuration. 2023-09-08T17:53:41,513 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T17:53:41,513 package, please make sure that 'RASPA2.share.raspa.framework.CoreShellSastreGale2005' is explicitly added 2023-09-08T17:53:41,514 to the `packages` configuration field. 2023-09-08T17:53:41,515 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T17:53:41,516 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T17:53:41,516 instead of `find_packages(...)`/`find:`). 2023-09-08T17:53:41,517 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T17:53:41,518 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T17:53:41,519 If you don't want 'RASPA2.share.raspa.framework.CoreShellSastreGale2005' to be distributed and are 2023-09-08T17:53:41,520 already explicitly excluding 'RASPA2.share.raspa.framework.CoreShellSastreGale2005' via 2023-09-08T17:53:41,520 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T17:53:41,521 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T17:53:41,522 combination with a more fine grained `package-data` configuration. 2023-09-08T17:53:41,523 You can read more about "package data files" on setuptools documentation page: 2023-09-08T17:53:41,524 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T17:53:41,525 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T17:53:41,526 even if it does not contain any `.py` files. 2023-09-08T17:53:41,526 On the other hand, currently there is no concept of package data 2023-09-08T17:53:41,526 directory, all directories are treated like packages. 2023-09-08T17:53:41,527 ******************************************************************************** 2023-09-08T17:53:41,528 !! 2023-09-08T17:53:41,528 check.warn(importable) 2023-09-08T17:53:41,529 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.framework.CoreShellSchroderSauer' is absent from the `packages` configuration. 2023-09-08T17:53:41,529 !! 2023-09-08T17:53:41,530 ******************************************************************************** 2023-09-08T17:53:41,531 ############################ 2023-09-08T17:53:41,531 # Package would be ignored # 2023-09-08T17:53:41,532 ############################ 2023-09-08T17:53:41,532 Python recognizes 'RASPA2.share.raspa.framework.CoreShellSchroderSauer' as an importable package[^1], 2023-09-08T17:53:41,533 but it is absent from setuptools' `packages` configuration. 2023-09-08T17:53:41,534 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T17:53:41,534 package, please make sure that 'RASPA2.share.raspa.framework.CoreShellSchroderSauer' is explicitly added 2023-09-08T17:53:41,535 to the `packages` configuration field. 2023-09-08T17:53:41,536 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T17:53:41,536 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T17:53:41,537 instead of `find_packages(...)`/`find:`). 2023-09-08T17:53:41,538 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T17:53:41,539 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T17:53:41,540 If you don't want 'RASPA2.share.raspa.framework.CoreShellSchroderSauer' to be distributed and are 2023-09-08T17:53:41,540 already explicitly excluding 'RASPA2.share.raspa.framework.CoreShellSchroderSauer' via 2023-09-08T17:53:41,541 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T17:53:41,542 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T17:53:41,542 combination with a more fine grained `package-data` configuration. 2023-09-08T17:53:41,543 You can read more about "package data files" on setuptools documentation page: 2023-09-08T17:53:41,544 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T17:53:41,546 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T17:53:41,546 even if it does not contain any `.py` files. 2023-09-08T17:53:41,547 On the other hand, currently there is no concept of package data 2023-09-08T17:53:41,547 directory, all directories are treated like packages. 2023-09-08T17:53:41,548 ******************************************************************************** 2023-09-08T17:53:41,549 !! 2023-09-08T17:53:41,550 check.warn(importable) 2023-09-08T17:53:41,550 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.framework.Demontis' is absent from the `packages` configuration. 2023-09-08T17:53:41,551 !! 2023-09-08T17:53:41,552 ******************************************************************************** 2023-09-08T17:53:41,553 ############################ 2023-09-08T17:53:41,553 # Package would be ignored # 2023-09-08T17:53:41,554 ############################ 2023-09-08T17:53:41,554 Python recognizes 'RASPA2.share.raspa.framework.Demontis' as an importable package[^1], 2023-09-08T17:53:41,554 but it is absent from setuptools' `packages` configuration. 2023-09-08T17:53:41,555 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T17:53:41,556 package, please make sure that 'RASPA2.share.raspa.framework.Demontis' is explicitly added 2023-09-08T17:53:41,556 to the `packages` configuration field. 2023-09-08T17:53:41,557 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T17:53:41,558 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T17:53:41,558 instead of `find_packages(...)`/`find:`). 2023-09-08T17:53:41,559 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T17:53:41,561 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T17:53:41,562 If you don't want 'RASPA2.share.raspa.framework.Demontis' to be distributed and are 2023-09-08T17:53:41,562 already explicitly excluding 'RASPA2.share.raspa.framework.Demontis' via 2023-09-08T17:53:41,563 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T17:53:41,563 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T17:53:41,564 combination with a more fine grained `package-data` configuration. 2023-09-08T17:53:41,565 You can read more about "package data files" on setuptools documentation page: 2023-09-08T17:53:41,566 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T17:53:41,568 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T17:53:41,569 even if it does not contain any `.py` files. 2023-09-08T17:53:41,569 On the other hand, currently there is no concept of package data 2023-09-08T17:53:41,570 directory, all directories are treated like packages. 2023-09-08T17:53:41,570 ******************************************************************************** 2023-09-08T17:53:41,571 !! 2023-09-08T17:53:41,572 check.warn(importable) 2023-09-08T17:53:41,572 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.framework.DemontisModified' is absent from the `packages` configuration. 2023-09-08T17:53:41,573 !! 2023-09-08T17:53:41,574 ******************************************************************************** 2023-09-08T17:53:41,575 ############################ 2023-09-08T17:53:41,575 # Package would be ignored # 2023-09-08T17:53:41,576 ############################ 2023-09-08T17:53:41,576 Python recognizes 'RASPA2.share.raspa.framework.DemontisModified' as an importable package[^1], 2023-09-08T17:53:41,577 but it is absent from setuptools' `packages` configuration. 2023-09-08T17:53:41,578 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T17:53:41,579 package, please make sure that 'RASPA2.share.raspa.framework.DemontisModified' is explicitly added 2023-09-08T17:53:41,579 to the `packages` configuration field. 2023-09-08T17:53:41,580 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T17:53:41,581 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T17:53:41,581 instead of `find_packages(...)`/`find:`). 2023-09-08T17:53:41,583 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T17:53:41,584 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T17:53:41,585 If you don't want 'RASPA2.share.raspa.framework.DemontisModified' to be distributed and are 2023-09-08T17:53:41,585 already explicitly excluding 'RASPA2.share.raspa.framework.DemontisModified' via 2023-09-08T17:53:41,586 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T17:53:41,586 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T17:53:41,587 combination with a more fine grained `package-data` configuration. 2023-09-08T17:53:41,588 You can read more about "package data files" on setuptools documentation page: 2023-09-08T17:53:41,589 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T17:53:41,590 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T17:53:41,591 even if it does not contain any `.py` files. 2023-09-08T17:53:41,591 On the other hand, currently there is no concept of package data 2023-09-08T17:53:41,592 directory, all directories are treated like packages. 2023-09-08T17:53:41,592 ******************************************************************************** 2023-09-08T17:53:41,593 !! 2023-09-08T17:53:41,594 check.warn(importable) 2023-09-08T17:53:41,594 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.framework' is absent from the `packages` configuration. 2023-09-08T17:53:41,595 !! 2023-09-08T17:53:41,596 ******************************************************************************** 2023-09-08T17:53:41,596 ############################ 2023-09-08T17:53:41,597 # Package would be ignored # 2023-09-08T17:53:41,597 ############################ 2023-09-08T17:53:41,598 Python recognizes 'RASPA2.share.raspa.framework' as an importable package[^1], 2023-09-08T17:53:41,598 but it is absent from setuptools' `packages` configuration. 2023-09-08T17:53:41,599 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T17:53:41,600 package, please make sure that 'RASPA2.share.raspa.framework' is explicitly added 2023-09-08T17:53:41,601 to the `packages` configuration field. 2023-09-08T17:53:41,602 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T17:53:41,602 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T17:53:41,603 instead of `find_packages(...)`/`find:`). 2023-09-08T17:53:41,604 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T17:53:41,605 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T17:53:41,606 If you don't want 'RASPA2.share.raspa.framework' to be distributed and are 2023-09-08T17:53:41,607 already explicitly excluding 'RASPA2.share.raspa.framework' via 2023-09-08T17:53:41,607 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T17:53:41,608 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T17:53:41,608 combination with a more fine grained `package-data` configuration. 2023-09-08T17:53:41,609 You can read more about "package data files" on setuptools documentation page: 2023-09-08T17:53:41,611 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T17:53:41,612 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T17:53:41,613 even if it does not contain any `.py` files. 2023-09-08T17:53:41,614 On the other hand, currently there is no concept of package data 2023-09-08T17:53:41,614 directory, all directories are treated like packages. 2023-09-08T17:53:41,615 ******************************************************************************** 2023-09-08T17:53:41,616 !! 2023-09-08T17:53:41,616 check.warn(importable) 2023-09-08T17:53:41,617 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.framework.Nicholas' is absent from the `packages` configuration. 2023-09-08T17:53:41,617 !! 2023-09-08T17:53:41,618 ******************************************************************************** 2023-09-08T17:53:41,618 ############################ 2023-09-08T17:53:41,619 # Package would be ignored # 2023-09-08T17:53:41,619 ############################ 2023-09-08T17:53:41,620 Python recognizes 'RASPA2.share.raspa.framework.Nicholas' as an importable package[^1], 2023-09-08T17:53:41,620 but it is absent from setuptools' `packages` configuration. 2023-09-08T17:53:41,621 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T17:53:41,622 package, please make sure that 'RASPA2.share.raspa.framework.Nicholas' is explicitly added 2023-09-08T17:53:41,622 to the `packages` configuration field. 2023-09-08T17:53:41,623 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T17:53:41,624 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T17:53:41,624 instead of `find_packages(...)`/`find:`). 2023-09-08T17:53:41,626 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T17:53:41,627 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T17:53:41,628 If you don't want 'RASPA2.share.raspa.framework.Nicholas' to be distributed and are 2023-09-08T17:53:41,628 already explicitly excluding 'RASPA2.share.raspa.framework.Nicholas' via 2023-09-08T17:53:41,629 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T17:53:41,629 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T17:53:41,630 combination with a more fine grained `package-data` configuration. 2023-09-08T17:53:41,631 You can read more about "package data files" on setuptools documentation page: 2023-09-08T17:53:41,632 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T17:53:41,634 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T17:53:41,635 even if it does not contain any `.py` files. 2023-09-08T17:53:41,635 On the other hand, currently there is no concept of package data 2023-09-08T17:53:41,636 directory, all directories are treated like packages. 2023-09-08T17:53:41,637 ******************************************************************************** 2023-09-08T17:53:41,638 !! 2023-09-08T17:53:41,638 check.warn(importable) 2023-09-08T17:53:41,639 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.framework.NicholasModified' is absent from the `packages` configuration. 2023-09-08T17:53:41,639 !! 2023-09-08T17:53:41,640 ******************************************************************************** 2023-09-08T17:53:41,641 ############################ 2023-09-08T17:53:41,641 # Package would be ignored # 2023-09-08T17:53:41,642 ############################ 2023-09-08T17:53:41,643 Python recognizes 'RASPA2.share.raspa.framework.NicholasModified' as an importable package[^1], 2023-09-08T17:53:41,643 but it is absent from setuptools' `packages` configuration. 2023-09-08T17:53:41,644 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T17:53:41,645 package, please make sure that 'RASPA2.share.raspa.framework.NicholasModified' is explicitly added 2023-09-08T17:53:41,645 to the `packages` configuration field. 2023-09-08T17:53:41,646 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T17:53:41,647 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T17:53:41,647 instead of `find_packages(...)`/`find:`). 2023-09-08T17:53:41,648 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T17:53:41,649 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T17:53:41,650 If you don't want 'RASPA2.share.raspa.framework.NicholasModified' to be distributed and are 2023-09-08T17:53:41,651 already explicitly excluding 'RASPA2.share.raspa.framework.NicholasModified' via 2023-09-08T17:53:41,651 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T17:53:41,652 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T17:53:41,652 combination with a more fine grained `package-data` configuration. 2023-09-08T17:53:41,654 You can read more about "package data files" on setuptools documentation page: 2023-09-08T17:53:41,655 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T17:53:41,657 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T17:53:41,657 even if it does not contain any `.py` files. 2023-09-08T17:53:41,658 On the other hand, currently there is no concept of package data 2023-09-08T17:53:41,658 directory, all directories are treated like packages. 2023-09-08T17:53:41,659 ******************************************************************************** 2023-09-08T17:53:41,660 !! 2023-09-08T17:53:41,660 check.warn(importable) 2023-09-08T17:53:41,661 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.molecules.CastilloVlugtCalero2009' is absent from the `packages` configuration. 2023-09-08T17:53:41,662 !! 2023-09-08T17:53:41,663 ******************************************************************************** 2023-09-08T17:53:41,663 ############################ 2023-09-08T17:53:41,664 # Package would be ignored # 2023-09-08T17:53:41,665 ############################ 2023-09-08T17:53:41,665 Python recognizes 'RASPA2.share.raspa.molecules.CastilloVlugtCalero2009' as an importable package[^1], 2023-09-08T17:53:41,666 but it is absent from setuptools' `packages` configuration. 2023-09-08T17:53:41,667 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T17:53:41,667 package, please make sure that 'RASPA2.share.raspa.molecules.CastilloVlugtCalero2009' is explicitly added 2023-09-08T17:53:41,668 to the `packages` configuration field. 2023-09-08T17:53:41,669 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T17:53:41,670 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T17:53:41,670 instead of `find_packages(...)`/`find:`). 2023-09-08T17:53:41,672 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T17:53:41,673 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T17:53:41,674 If you don't want 'RASPA2.share.raspa.molecules.CastilloVlugtCalero2009' to be distributed and are 2023-09-08T17:53:41,675 already explicitly excluding 'RASPA2.share.raspa.molecules.CastilloVlugtCalero2009' via 2023-09-08T17:53:41,675 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T17:53:41,676 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T17:53:41,676 combination with a more fine grained `package-data` configuration. 2023-09-08T17:53:41,677 You can read more about "package data files" on setuptools documentation page: 2023-09-08T17:53:41,678 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T17:53:41,679 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T17:53:41,680 even if it does not contain any `.py` files. 2023-09-08T17:53:41,680 On the other hand, currently there is no concept of package data 2023-09-08T17:53:41,681 directory, all directories are treated like packages. 2023-09-08T17:53:41,681 ******************************************************************************** 2023-09-08T17:53:41,682 !! 2023-09-08T17:53:41,682 check.warn(importable) 2023-09-08T17:53:41,683 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.molecules.EPM2' is absent from the `packages` configuration. 2023-09-08T17:53:41,683 !! 2023-09-08T17:53:41,684 ******************************************************************************** 2023-09-08T17:53:41,685 ############################ 2023-09-08T17:53:41,685 # Package would be ignored # 2023-09-08T17:53:41,686 ############################ 2023-09-08T17:53:41,686 Python recognizes 'RASPA2.share.raspa.molecules.EPM2' as an importable package[^1], 2023-09-08T17:53:41,687 but it is absent from setuptools' `packages` configuration. 2023-09-08T17:53:41,688 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T17:53:41,688 package, please make sure that 'RASPA2.share.raspa.molecules.EPM2' is explicitly added 2023-09-08T17:53:41,689 to the `packages` configuration field. 2023-09-08T17:53:41,690 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T17:53:41,690 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T17:53:41,691 instead of `find_packages(...)`/`find:`). 2023-09-08T17:53:41,692 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T17:53:41,693 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T17:53:41,694 If you don't want 'RASPA2.share.raspa.molecules.EPM2' to be distributed and are 2023-09-08T17:53:41,695 already explicitly excluding 'RASPA2.share.raspa.molecules.EPM2' via 2023-09-08T17:53:41,695 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T17:53:41,696 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T17:53:41,696 combination with a more fine grained `package-data` configuration. 2023-09-08T17:53:41,697 You can read more about "package data files" on setuptools documentation page: 2023-09-08T17:53:41,698 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T17:53:41,700 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T17:53:41,700 even if it does not contain any `.py` files. 2023-09-08T17:53:41,701 On the other hand, currently there is no concept of package data 2023-09-08T17:53:41,701 directory, all directories are treated like packages. 2023-09-08T17:53:41,702 ******************************************************************************** 2023-09-08T17:53:41,703 !! 2023-09-08T17:53:41,704 check.warn(importable) 2023-09-08T17:53:41,704 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.molecules.TraPPE' is absent from the `packages` configuration. 2023-09-08T17:53:41,705 !! 2023-09-08T17:53:41,706 ******************************************************************************** 2023-09-08T17:53:41,706 ############################ 2023-09-08T17:53:41,707 # Package would be ignored # 2023-09-08T17:53:41,707 ############################ 2023-09-08T17:53:41,708 Python recognizes 'RASPA2.share.raspa.molecules.TraPPE' as an importable package[^1], 2023-09-08T17:53:41,708 but it is absent from setuptools' `packages` configuration. 2023-09-08T17:53:41,709 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T17:53:41,709 package, please make sure that 'RASPA2.share.raspa.molecules.TraPPE' is explicitly added 2023-09-08T17:53:41,710 to the `packages` configuration field. 2023-09-08T17:53:41,711 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T17:53:41,711 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T17:53:41,712 instead of `find_packages(...)`/`find:`). 2023-09-08T17:53:41,713 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T17:53:41,714 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T17:53:41,714 If you don't want 'RASPA2.share.raspa.molecules.TraPPE' to be distributed and are 2023-09-08T17:53:41,715 already explicitly excluding 'RASPA2.share.raspa.molecules.TraPPE' via 2023-09-08T17:53:41,715 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T17:53:41,716 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T17:53:41,716 combination with a more fine grained `package-data` configuration. 2023-09-08T17:53:41,717 You can read more about "package data files" on setuptools documentation page: 2023-09-08T17:53:41,718 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T17:53:41,720 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T17:53:41,721 even if it does not contain any `.py` files. 2023-09-08T17:53:41,721 On the other hand, currently there is no concept of package data 2023-09-08T17:53:41,722 directory, all directories are treated like packages. 2023-09-08T17:53:41,722 ******************************************************************************** 2023-09-08T17:53:41,723 !! 2023-09-08T17:53:41,724 check.warn(importable) 2023-09-08T17:53:41,725 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.molecules' is absent from the `packages` configuration. 2023-09-08T17:53:41,725 !! 2023-09-08T17:53:41,726 ******************************************************************************** 2023-09-08T17:53:41,727 ############################ 2023-09-08T17:53:41,727 # Package would be ignored # 2023-09-08T17:53:41,728 ############################ 2023-09-08T17:53:41,729 Python recognizes 'RASPA2.share.raspa.molecules' as an importable package[^1], 2023-09-08T17:53:41,729 but it is absent from setuptools' `packages` configuration. 2023-09-08T17:53:41,730 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T17:53:41,731 package, please make sure that 'RASPA2.share.raspa.molecules' is explicitly added 2023-09-08T17:53:41,731 to the `packages` configuration field. 2023-09-08T17:53:41,732 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T17:53:41,733 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T17:53:41,734 instead of `find_packages(...)`/`find:`). 2023-09-08T17:53:41,735 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T17:53:41,736 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T17:53:41,737 If you don't want 'RASPA2.share.raspa.molecules' to be distributed and are 2023-09-08T17:53:41,737 already explicitly excluding 'RASPA2.share.raspa.molecules' via 2023-09-08T17:53:41,738 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T17:53:41,738 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T17:53:41,739 combination with a more fine grained `package-data` configuration. 2023-09-08T17:53:41,740 You can read more about "package data files" on setuptools documentation page: 2023-09-08T17:53:41,741 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T17:53:41,742 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T17:53:41,743 even if it does not contain any `.py` files. 2023-09-08T17:53:41,743 On the other hand, currently there is no concept of package data 2023-09-08T17:53:41,744 directory, all directories are treated like packages. 2023-09-08T17:53:41,744 ******************************************************************************** 2023-09-08T17:53:41,745 !! 2023-09-08T17:53:41,746 check.warn(importable) 2023-09-08T17:53:41,746 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.src' is absent from the `packages` configuration. 2023-09-08T17:53:41,747 !! 2023-09-08T17:53:41,748 ******************************************************************************** 2023-09-08T17:53:41,748 ############################ 2023-09-08T17:53:41,749 # Package would be ignored # 2023-09-08T17:53:41,749 ############################ 2023-09-08T17:53:41,750 Python recognizes 'RASPA2.share.raspa.src' as an importable package[^1], 2023-09-08T17:53:41,750 but it is absent from setuptools' `packages` configuration. 2023-09-08T17:53:41,751 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T17:53:41,752 package, please make sure that 'RASPA2.share.raspa.src' is explicitly added 2023-09-08T17:53:41,752 to the `packages` configuration field. 2023-09-08T17:53:41,753 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T17:53:41,754 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T17:53:41,754 instead of `find_packages(...)`/`find:`). 2023-09-08T17:53:41,755 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T17:53:41,756 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T17:53:41,757 If you don't want 'RASPA2.share.raspa.src' to be distributed and are 2023-09-08T17:53:41,758 already explicitly excluding 'RASPA2.share.raspa.src' via 2023-09-08T17:53:41,759 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T17:53:41,759 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T17:53:41,759 combination with a more fine grained `package-data` configuration. 2023-09-08T17:53:41,761 You can read more about "package data files" on setuptools documentation page: 2023-09-08T17:53:41,762 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T17:53:41,763 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T17:53:41,764 even if it does not contain any `.py` files. 2023-09-08T17:53:41,765 On the other hand, currently there is no concept of package data 2023-09-08T17:53:41,765 directory, all directories are treated like packages. 2023-09-08T17:53:41,766 ******************************************************************************** 2023-09-08T17:53:41,767 !! 2023-09-08T17:53:41,767 check.warn(importable) 2023-09-08T17:53:41,767 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.structures.block' is absent from the `packages` configuration. 2023-09-08T17:53:41,768 !! 2023-09-08T17:53:41,769 ******************************************************************************** 2023-09-08T17:53:41,769 ############################ 2023-09-08T17:53:41,770 # Package would be ignored # 2023-09-08T17:53:41,770 ############################ 2023-09-08T17:53:41,771 Python recognizes 'RASPA2.share.raspa.structures.block' as an importable package[^1], 2023-09-08T17:53:41,771 but it is absent from setuptools' `packages` configuration. 2023-09-08T17:53:41,772 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T17:53:41,772 package, please make sure that 'RASPA2.share.raspa.structures.block' is explicitly added 2023-09-08T17:53:41,773 to the `packages` configuration field. 2023-09-08T17:53:41,774 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T17:53:41,774 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T17:53:41,775 instead of `find_packages(...)`/`find:`). 2023-09-08T17:53:41,776 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T17:53:41,777 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T17:53:41,778 If you don't want 'RASPA2.share.raspa.structures.block' to be distributed and are 2023-09-08T17:53:41,778 already explicitly excluding 'RASPA2.share.raspa.structures.block' via 2023-09-08T17:53:41,779 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T17:53:41,779 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T17:53:41,780 combination with a more fine grained `package-data` configuration. 2023-09-08T17:53:41,781 You can read more about "package data files" on setuptools documentation page: 2023-09-08T17:53:41,782 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T17:53:41,783 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T17:53:41,784 even if it does not contain any `.py` files. 2023-09-08T17:53:41,784 On the other hand, currently there is no concept of package data 2023-09-08T17:53:41,785 directory, all directories are treated like packages. 2023-09-08T17:53:41,785 ******************************************************************************** 2023-09-08T17:53:41,786 !! 2023-09-08T17:53:41,787 check.warn(importable) 2023-09-08T17:53:41,787 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.structures.cif' is absent from the `packages` configuration. 2023-09-08T17:53:41,788 !! 2023-09-08T17:53:41,789 ******************************************************************************** 2023-09-08T17:53:41,789 ############################ 2023-09-08T17:53:41,790 # Package would be ignored # 2023-09-08T17:53:41,791 ############################ 2023-09-08T17:53:41,791 Python recognizes 'RASPA2.share.raspa.structures.cif' as an importable package[^1], 2023-09-08T17:53:41,792 but it is absent from setuptools' `packages` configuration. 2023-09-08T17:53:41,793 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T17:53:41,793 package, please make sure that 'RASPA2.share.raspa.structures.cif' is explicitly added 2023-09-08T17:53:41,794 to the `packages` configuration field. 2023-09-08T17:53:41,795 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T17:53:41,795 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T17:53:41,796 instead of `find_packages(...)`/`find:`). 2023-09-08T17:53:41,797 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T17:53:41,798 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T17:53:41,798 If you don't want 'RASPA2.share.raspa.structures.cif' to be distributed and are 2023-09-08T17:53:41,799 already explicitly excluding 'RASPA2.share.raspa.structures.cif' via 2023-09-08T17:53:41,799 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T17:53:41,800 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T17:53:41,800 combination with a more fine grained `package-data` configuration. 2023-09-08T17:53:41,801 You can read more about "package data files" on setuptools documentation page: 2023-09-08T17:53:41,802 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T17:53:41,804 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T17:53:41,804 even if it does not contain any `.py` files. 2023-09-08T17:53:41,805 On the other hand, currently there is no concept of package data 2023-09-08T17:53:41,805 directory, all directories are treated like packages. 2023-09-08T17:53:41,806 ******************************************************************************** 2023-09-08T17:53:41,807 !! 2023-09-08T17:53:41,807 check.warn(importable) 2023-09-08T17:53:41,808 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:204: _Warning: Package 'RASPA2.share.raspa.structures.ions' is absent from the `packages` configuration. 2023-09-08T17:53:41,808 !! 2023-09-08T17:53:41,809 ******************************************************************************** 2023-09-08T17:53:41,810 ############################ 2023-09-08T17:53:41,810 # Package would be ignored # 2023-09-08T17:53:41,811 ############################ 2023-09-08T17:53:41,811 Python recognizes 'RASPA2.share.raspa.structures.ions' as an importable package[^1], 2023-09-08T17:53:41,812 but it is absent from setuptools' `packages` configuration. 2023-09-08T17:53:41,813 This leads to an ambiguous overall configuration. If you want to distribute this 2023-09-08T17:53:41,813 package, please make sure that 'RASPA2.share.raspa.structures.ions' is explicitly added 2023-09-08T17:53:41,814 to the `packages` configuration field. 2023-09-08T17:53:41,815 Alternatively, you can also rely on setuptools' discovery methods 2023-09-08T17:53:41,815 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2023-09-08T17:53:41,816 instead of `find_packages(...)`/`find:`). 2023-09-08T17:53:41,817 You can read more about "package discovery" on setuptools documentation page: 2023-09-08T17:53:41,818 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2023-09-08T17:53:41,819 If you don't want 'RASPA2.share.raspa.structures.ions' to be distributed and are 2023-09-08T17:53:41,819 already explicitly excluding 'RASPA2.share.raspa.structures.ions' via 2023-09-08T17:53:41,820 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2023-09-08T17:53:41,820 you can try to use `exclude_package_data`, or `include-package-data=False` in 2023-09-08T17:53:41,821 combination with a more fine grained `package-data` configuration. 2023-09-08T17:53:41,822 You can read more about "package data files" on setuptools documentation page: 2023-09-08T17:53:41,823 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2023-09-08T17:53:41,824 [^1]: For Python, any directory (with suitable naming) can be imported, 2023-09-08T17:53:41,825 even if it does not contain any `.py` files. 2023-09-08T17:53:41,825 On the other hand, currently there is no concept of package data 2023-09-08T17:53:41,826 directory, all directories are treated like packages. 2023-09-08T17:53:41,826 ******************************************************************************** 2023-09-08T17:53:41,827 !! 2023-09-08T17:53:41,827 check.warn(importable) 2023-09-08T17:53:41,828 creating build/lib.linux-armv7l-cpython-311/RASPA2/share 2023-09-08T17:53:41,828 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa 2023-09-08T17:53:41,829 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield 2023-09-08T17:53:41,829 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2023-09-08T17:53:41,830 copying ./forcefield/AmirjalayerSchmid/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2023-09-08T17:53:41,830 copying ./forcefield/AmirjalayerSchmid/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2023-09-08T17:53:41,831 copying ./forcefield/AmirjalayerSchmid/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/AmirjalayerSchmid 2023-09-08T17:53:41,831 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2023-09-08T17:53:41,832 copying ./forcefield/CastilloVlugtCalero2009/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2023-09-08T17:53:41,832 copying ./forcefield/CastilloVlugtCalero2009/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2023-09-08T17:53:41,833 copying ./forcefield/CastilloVlugtCalero2009/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CastilloVlugtCalero2009 2023-09-08T17:53:41,833 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CoreShellCatlow 2023-09-08T17:53:41,834 copying ./forcefield/CoreShellCatlow/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CoreShellCatlow 2023-09-08T17:53:41,834 copying ./forcefield/CoreShellCatlow/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CoreShellCatlow 2023-09-08T17:53:41,835 copying ./forcefield/CoreShellCatlow/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CoreShellCatlow 2023-09-08T17:53:41,835 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2023-09-08T17:53:41,836 copying ./forcefield/CoreShellSastreGale2005/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2023-09-08T17:53:41,836 copying ./forcefield/CoreShellSastreGale2005/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2023-09-08T17:53:41,837 copying ./forcefield/CoreShellSastreGale2005/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CoreShellSastreGale2005 2023-09-08T17:53:41,837 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2023-09-08T17:53:41,838 copying ./forcefield/CoreShellSchroderSauer/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2023-09-08T17:53:41,839 copying ./forcefield/CoreShellSchroderSauer/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2023-09-08T17:53:41,839 copying ./forcefield/CoreShellSchroderSauer/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CoreShellSchroderSauer 2023-09-08T17:53:41,840 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CrystalGenerator 2023-09-08T17:53:41,840 copying ./forcefield/CrystalGenerator/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CrystalGenerator 2023-09-08T17:53:41,841 copying ./forcefield/CrystalGenerator/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CrystalGenerator 2023-09-08T17:53:41,841 copying ./forcefield/CrystalGenerator/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/CrystalGenerator 2023-09-08T17:53:41,842 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2023-09-08T17:53:41,842 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2023-09-08T17:53:41,842 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2023-09-08T17:53:41,843 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-1/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-1 2023-09-08T17:53:41,843 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2023-09-08T17:53:41,844 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2023-09-08T17:53:41,844 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2023-09-08T17:53:41,845 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-10/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-10 2023-09-08T17:53:41,845 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2023-09-08T17:53:41,846 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2023-09-08T17:53:41,846 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2023-09-08T17:53:41,847 copying ./forcefield/Dubbeldam2007FlexibleIRMOF-16/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2007FlexibleIRMOF-16 2023-09-08T17:53:41,848 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2023-09-08T17:53:41,848 copying ./forcefield/Dubbeldam2012MIL-100/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2023-09-08T17:53:41,849 copying ./forcefield/Dubbeldam2012MIL-100/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2023-09-08T17:53:41,849 copying ./forcefield/Dubbeldam2012MIL-100/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-100 2023-09-08T17:53:41,850 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2023-09-08T17:53:41,850 copying ./forcefield/Dubbeldam2012MIL-101/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2023-09-08T17:53:41,851 copying ./forcefield/Dubbeldam2012MIL-101/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2023-09-08T17:53:41,852 copying ./forcefield/Dubbeldam2012MIL-101/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dubbeldam2012MIL-101 2023-09-08T17:53:41,852 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2023-09-08T17:53:41,853 copying ./forcefield/Dzubak2012-IRMOF-1/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2023-09-08T17:53:41,853 copying ./forcefield/Dzubak2012-IRMOF-1/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2023-09-08T17:53:41,854 copying ./forcefield/Dzubak2012-IRMOF-1/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dzubak2012-IRMOF-1 2023-09-08T17:53:41,854 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2023-09-08T17:53:41,855 copying ./forcefield/Dzubak2012-MgMOF-74/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2023-09-08T17:53:41,855 copying ./forcefield/Dzubak2012-MgMOF-74/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2023-09-08T17:53:41,856 copying ./forcefield/Dzubak2012-MgMOF-74/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74 2023-09-08T17:53:41,856 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2023-09-08T17:53:41,857 copying ./forcefield/Dzubak2012-MgMOF-74-extended/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2023-09-08T17:53:41,857 copying ./forcefield/Dzubak2012-MgMOF-74-extended/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2023-09-08T17:53:41,858 copying ./forcefield/Dzubak2012-MgMOF-74-extended/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dzubak2012-MgMOF-74-extended 2023-09-08T17:53:41,858 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2023-09-08T17:53:41,859 copying ./forcefield/Dzubak2012-ZnMOF-74/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2023-09-08T17:53:41,859 copying ./forcefield/Dzubak2012-ZnMOF-74/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2023-09-08T17:53:41,860 copying ./forcefield/Dzubak2012-ZnMOF-74/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Dzubak2012-ZnMOF-74 2023-09-08T17:53:41,860 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/GarciaPerez2006 2023-09-08T17:53:41,861 copying ./forcefield/GarciaPerez2006/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/GarciaPerez2006 2023-09-08T17:53:41,862 copying ./forcefield/GarciaPerez2006/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/GarciaPerez2006 2023-09-08T17:53:41,862 copying ./forcefield/GarciaPerez2006/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/GarciaPerez2006 2023-09-08T17:53:41,863 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/GenericMOFs 2023-09-08T17:53:41,863 copying ./forcefield/GenericMOFs/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/GenericMOFs 2023-09-08T17:53:41,864 copying ./forcefield/GenericMOFs/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/GenericMOFs 2023-09-08T17:53:41,864 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/GenericZeolites 2023-09-08T17:53:41,865 copying ./forcefield/GenericZeolites/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/GenericZeolites 2023-09-08T17:53:41,866 copying ./forcefield/GenericZeolites/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/GenericZeolites 2023-09-08T17:53:41,866 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2023-09-08T17:53:41,867 copying ./forcefield/MgMOF-74-Yazaydin/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2023-09-08T17:53:41,867 copying ./forcefield/MgMOF-74-Yazaydin/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2023-09-08T17:53:41,868 copying ./forcefield/MgMOF-74-Yazaydin/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/MgMOF-74-Yazaydin 2023-09-08T17:53:41,868 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Nicholas 2023-09-08T17:53:41,869 copying ./forcefield/Nicholas/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Nicholas 2023-09-08T17:53:41,869 copying ./forcefield/Nicholas/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Nicholas 2023-09-08T17:53:41,870 copying ./forcefield/Nicholas/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Nicholas 2023-09-08T17:53:41,870 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Pascual2004 2023-09-08T17:53:41,871 copying ./forcefield/Pascual2004/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Pascual2004 2023-09-08T17:53:41,871 copying ./forcefield/Pascual2004/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Pascual2004 2023-09-08T17:53:41,872 copying ./forcefield/Pascual2004/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/Pascual2004 2023-09-08T17:53:41,872 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2023-09-08T17:53:41,873 copying ./forcefield/RigidIonKramer1991/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2023-09-08T17:53:41,873 copying ./forcefield/RigidIonKramer1991/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2023-09-08T17:53:41,874 copying ./forcefield/RigidIonKramer1991/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/RigidIonKramer1991 2023-09-08T17:53:41,874 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/TraPPE 2023-09-08T17:53:41,875 copying ./forcefield/TraPPE/force_field.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/TraPPE 2023-09-08T17:53:41,875 copying ./forcefield/TraPPE/force_field_mixing_rules.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/TraPPE 2023-09-08T17:53:41,876 copying ./forcefield/TraPPE/pseudo_atoms.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/forcefield/TraPPE 2023-09-08T17:53:41,876 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework 2023-09-08T17:53:41,877 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/AmirjalayerSchmid 2023-09-08T17:53:41,877 copying ./framework/AmirjalayerSchmid/framework.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/AmirjalayerSchmid 2023-09-08T17:53:41,878 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/CoreShellCatlow 2023-09-08T17:53:41,878 copying ./framework/CoreShellCatlow/framework.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/CoreShellCatlow 2023-09-08T17:53:41,879 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/CoreShellSastreGale2005 2023-09-08T17:53:41,880 copying ./framework/CoreShellSastreGale2005/framework.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/CoreShellSastreGale2005 2023-09-08T17:53:41,880 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/CoreShellSchroderSauer 2023-09-08T17:53:41,881 copying ./framework/CoreShellSchroderSauer/framework.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/CoreShellSchroderSauer 2023-09-08T17:53:41,881 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/Demontis 2023-09-08T17:53:41,882 copying ./framework/Demontis/framework.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/Demontis 2023-09-08T17:53:41,882 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/DemontisModified 2023-09-08T17:53:41,883 copying ./framework/DemontisModified/framework.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/DemontisModified 2023-09-08T17:53:41,883 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-1 2023-09-08T17:53:41,883 copying ./framework/Dubbeldam2007FlexibleIRMOF-1/framework.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-1 2023-09-08T17:53:41,884 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-10 2023-09-08T17:53:41,884 copying ./framework/Dubbeldam2007FlexibleIRMOF-10/framework.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-10 2023-09-08T17:53:41,885 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-16 2023-09-08T17:53:41,885 copying ./framework/Dubbeldam2007FlexibleIRMOF-16/framework.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/Dubbeldam2007FlexibleIRMOF-16 2023-09-08T17:53:41,886 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/Nicholas 2023-09-08T17:53:41,886 copying ./framework/Nicholas/framework.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/Nicholas 2023-09-08T17:53:41,887 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/NicholasModified 2023-09-08T17:53:41,887 copying ./framework/NicholasModified/framework.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/framework/NicholasModified 2023-09-08T17:53:41,888 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules 2023-09-08T17:53:41,888 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2023-09-08T17:53:41,889 copying ./molecules/CastilloVlugtCalero2009/benzene.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2023-09-08T17:53:41,889 copying ./molecules/CastilloVlugtCalero2009/m-xylene.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2023-09-08T17:53:41,890 copying ./molecules/CastilloVlugtCalero2009/o-xylene.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2023-09-08T17:53:41,890 copying ./molecules/CastilloVlugtCalero2009/p-xylene.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2023-09-08T17:53:41,891 copying ./molecules/CastilloVlugtCalero2009/toluene.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/CastilloVlugtCalero2009 2023-09-08T17:53:41,891 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/EPM2 2023-09-08T17:53:41,892 copying ./molecules/EPM2/CO2.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/EPM2 2023-09-08T17:53:41,892 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,893 copying ./molecules/TraPPE/1-butene.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,894 copying ./molecules/TraPPE/2-cis-butene.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,894 copying ./molecules/TraPPE/2-ethyl-2-hexenal-cis.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,895 copying ./molecules/TraPPE/2-ethyl-2-hexenal-trans.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,895 copying ./molecules/TraPPE/2-methylbutane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,896 copying ./molecules/TraPPE/2-methylheptane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,896 copying ./molecules/TraPPE/2-methylhexane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,897 copying ./molecules/TraPPE/2-methylpentane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,897 copying ./molecules/TraPPE/2-trans-butene.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,898 copying ./molecules/TraPPE/22-dimethylbutane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,898 copying ./molecules/TraPPE/22-dimethylhexane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,899 copying ./molecules/TraPPE/22-dimethylpentane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,899 copying ./molecules/TraPPE/223-trimethylbutane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,900 copying ./molecules/TraPPE/224-trimethylpentane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,900 copying ./molecules/TraPPE/22dmC8.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,901 copying ./molecules/TraPPE/23-dimethylbutane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,901 copying ./molecules/TraPPE/23-dimethylhexane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,902 copying ./molecules/TraPPE/23-dimethylpentane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,902 copying ./molecules/TraPPE/24-dimethylhexane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,903 copying ./molecules/TraPPE/24-dimethylpentane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,903 copying ./molecules/TraPPE/24dmC8.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,904 copying ./molecules/TraPPE/25-dimethylhexane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,904 copying ./molecules/TraPPE/27dmC8.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,905 copying ./molecules/TraPPE/2mC9.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,905 copying ./molecules/TraPPE/3-methylheptane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,906 copying ./molecules/TraPPE/3-methylhexane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,906 copying ./molecules/TraPPE/3-methylpentane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,907 copying ./molecules/TraPPE/33-dimethylhexane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,907 copying ./molecules/TraPPE/33-dimethylpentane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,908 copying ./molecules/TraPPE/3mC9.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,909 copying ./molecules/TraPPE/4-methylheptane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,909 copying ./molecules/TraPPE/44methylethyloctane_L.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,909 copying ./molecules/TraPPE/44methylethyloctane_R.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,910 copying ./molecules/TraPPE/4mC9.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,910 copying ./molecules/TraPPE/AsH3.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,911 copying ./molecules/TraPPE/BDC.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,911 copying ./molecules/TraPPE/C1.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,912 copying ./molecules/TraPPE/C10.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,912 copying ./molecules/TraPPE/C11.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,913 copying ./molecules/TraPPE/C12.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,913 copying ./molecules/TraPPE/C13.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,914 copying ./molecules/TraPPE/C14.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,914 copying ./molecules/TraPPE/C15.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,915 copying ./molecules/TraPPE/C16.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,915 copying ./molecules/TraPPE/C17.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,916 copying ./molecules/TraPPE/C18.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,916 copying ./molecules/TraPPE/C19.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,917 copying ./molecules/TraPPE/C2.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,917 copying ./molecules/TraPPE/C20.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,918 copying ./molecules/TraPPE/C21.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,918 copying ./molecules/TraPPE/C22.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,919 copying ./molecules/TraPPE/C23.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,919 copying ./molecules/TraPPE/C24.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,920 copying ./molecules/TraPPE/C25.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,920 copying ./molecules/TraPPE/C26.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,921 copying ./molecules/TraPPE/C27.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,921 copying ./molecules/TraPPE/C28.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,922 copying ./molecules/TraPPE/C2H2.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,922 copying ./molecules/TraPPE/C3.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,923 copying ./molecules/TraPPE/C4.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,924 copying ./molecules/TraPPE/C5.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,924 copying ./molecules/TraPPE/C6.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,924 copying ./molecules/TraPPE/C7.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,925 copying ./molecules/TraPPE/C8.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,925 copying ./molecules/TraPPE/C9.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,926 copying ./molecules/TraPPE/CO2.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,926 copying ./molecules/TraPPE/Cl.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,927 copying ./molecules/TraPPE/H2.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,927 copying ./molecules/TraPPE/H2S.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,928 copying ./molecules/TraPPE/IonN.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,928 copying ./molecules/TraPPE/IonP.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,929 copying ./molecules/TraPPE/LJ1.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,929 copying ./molecules/TraPPE/LJ2.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,930 copying ./molecules/TraPPE/N2.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,930 copying ./molecules/TraPPE/Na.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,931 copying ./molecules/TraPPE/NaCl.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,931 copying ./molecules/TraPPE/O2.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,932 copying ./molecules/TraPPE/PH3.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,934 copying ./molecules/TraPPE/argon.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,936 copying ./molecules/TraPPE/benzene.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,938 copying ./molecules/TraPPE/butane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,940 copying ./molecules/TraPPE/calcium.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,942 copying ./molecules/TraPPE/chloride.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,944 copying ./molecules/TraPPE/chromene_R_flexible.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,946 copying ./molecules/TraPPE/decane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,948 copying ./molecules/TraPPE/dimethylpropane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,950 copying ./molecules/TraPPE/dodecane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,952 copying ./molecules/TraPPE/ethane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,954 copying ./molecules/TraPPE/ethanol.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,956 copying ./molecules/TraPPE/ethene.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,958 copying ./molecules/TraPPE/formaldehyde.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,960 copying ./molecules/TraPPE/helium.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,962 copying ./molecules/TraPPE/heptane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,964 copying ./molecules/TraPPE/hexadecane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,966 copying ./molecules/TraPPE/hexane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,967 copying ./molecules/TraPPE/hydrogen.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,969 copying ./molecules/TraPPE/isobutane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,971 copying ./molecules/TraPPE/isooctane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,973 copying ./molecules/TraPPE/kalium.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,975 copying ./molecules/TraPPE/krypton.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,976 copying ./molecules/TraPPE/methane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,978 copying ./molecules/TraPPE/methanol.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,980 copying ./molecules/TraPPE/neopentane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,982 copying ./molecules/TraPPE/nonane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,984 copying ./molecules/TraPPE/none.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,986 copying ./molecules/TraPPE/octane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,988 copying ./molecules/TraPPE/pentane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,989 copying ./molecules/TraPPE/propane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,991 copying ./molecules/TraPPE/propene.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,993 copying ./molecules/TraPPE/sodium.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,995 copying ./molecules/TraPPE/undecane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,997 copying ./molecules/TraPPE/water.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:41,999 copying ./molecules/TraPPE/xenon.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE 2023-09-08T17:53:42,001 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE-EH 2023-09-08T17:53:42,002 copying ./molecules/TraPPE-EH/methane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE-EH 2023-09-08T17:53:42,004 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE-UA 2023-09-08T17:53:42,005 copying ./molecules/TraPPE-UA/2-methylbutane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE-UA 2023-09-08T17:53:42,007 copying ./molecules/TraPPE-UA/2-methylpentane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE-UA 2023-09-08T17:53:42,009 copying ./molecules/TraPPE-UA/CO2.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE-UA 2023-09-08T17:53:42,012 copying ./molecules/TraPPE-UA/butane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE-UA 2023-09-08T17:53:42,014 copying ./molecules/TraPPE-UA/dimethylpropane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE-UA 2023-09-08T17:53:42,015 copying ./molecules/TraPPE-UA/ethane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE-UA 2023-09-08T17:53:42,017 copying ./molecules/TraPPE-UA/heptane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE-UA 2023-09-08T17:53:42,019 copying ./molecules/TraPPE-UA/isobutane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE-UA 2023-09-08T17:53:42,021 copying ./molecules/TraPPE-UA/methane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE-UA 2023-09-08T17:53:42,023 copying ./molecules/TraPPE-UA/pentane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE-UA 2023-09-08T17:53:42,025 copying ./molecules/TraPPE-UA/propane.def -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/molecules/TraPPE-UA 2023-09-08T17:53:42,027 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,027 copying ./src/cbmc.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,033 copying ./src/cbmc.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,036 copying ./src/charge_equilibration.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,039 copying ./src/charge_equilibration.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,041 copying ./src/complex.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,043 copying ./src/complex.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,046 copying ./src/constants.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,048 copying ./src/constants.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,050 copying ./src/cubic_spline_1d.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,053 copying ./src/cubic_spline_1d.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,055 copying ./src/equations_of_state.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,058 copying ./src/equations_of_state.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,060 copying ./src/ewald.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,079 copying ./src/ewald.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,081 copying ./src/framework.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,096 copying ./src/framework.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,098 copying ./src/framework_born.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,103 copying ./src/framework_born.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,105 copying ./src/framework_energy.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,112 copying ./src/framework_energy.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,114 copying ./src/framework_force.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,121 copying ./src/framework_force.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,123 copying ./src/framework_hessian.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,132 copying ./src/framework_hessian.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,134 copying ./src/grids.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,138 copying ./src/grids.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,140 copying ./src/input.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,148 copying ./src/input.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,150 copying ./src/integrate.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,153 copying ./src/integrate.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,155 copying ./src/integration.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,159 copying ./src/integration.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,161 copying ./src/inter_born.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,164 copying ./src/inter_born.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,166 copying ./src/inter_energy.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,173 copying ./src/inter_energy.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,175 copying ./src/inter_force.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,180 copying ./src/inter_force.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,182 copying ./src/inter_hessian.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,189 copying ./src/inter_hessian.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,191 copying ./src/internal_born.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,197 copying ./src/internal_born.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,199 copying ./src/internal_energy.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,206 copying ./src/internal_energy.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,208 copying ./src/internal_force.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,216 copying ./src/internal_force.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,219 copying ./src/internal_hessian.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,237 copying ./src/internal_hessian.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,240 copying ./src/linear_equations.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,243 copying ./src/linear_equations.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,245 copying ./src/main.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,247 copying ./src/matrix.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,252 copying ./src/matrix.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,255 copying ./src/mc_moves.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,287 copying ./src/mc_moves.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,290 copying ./src/minimization.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,297 copying ./src/minimization.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,300 copying ./src/minimization_simulation.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,303 copying ./src/minimization_simulation.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,305 copying ./src/molecular_dynamics.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,308 copying ./src/molecular_dynamics.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,310 copying ./src/molecule.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,318 copying ./src/molecule.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,321 copying ./src/molecule_properties.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,324 copying ./src/molecule_properties.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,326 copying ./src/monte_carlo.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,331 copying ./src/monte_carlo.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,333 copying ./src/movies.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,337 copying ./src/movies.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,339 copying ./src/numerical.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,347 copying ./src/numerical.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,349 copying ./src/output.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,358 copying ./src/output.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,360 copying ./src/potentials.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,371 copying ./src/potentials.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,374 copying ./src/recrossing.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,376 copying ./src/recrossing.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,378 copying ./src/rigid.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,385 copying ./src/rigid.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,387 copying ./src/run.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,389 copying ./src/run.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,391 copying ./src/sample.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,402 copying ./src/sample.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,405 copying ./src/scattering_factors.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,408 copying ./src/scattering_factors.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,410 copying ./src/simulation.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,414 copying ./src/simulation.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,416 copying ./src/spacegroup.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,466 copying ./src/spacegroup.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,468 copying ./src/spectra.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,473 copying ./src/spectra.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,476 copying ./src/statistics.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,484 copying ./src/statistics.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,487 copying ./src/status.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,497 copying ./src/status.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,500 copying ./src/thermo_baro_stats.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,508 copying ./src/thermo_baro_stats.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,510 copying ./src/utils.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,514 copying ./src/utils.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,517 copying ./src/vector.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,519 copying ./src/vector.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,522 copying ./src/warnings.c -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,525 copying ./src/warnings.h -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/src 2023-09-08T17:53:42,530 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures 2023-09-08T17:53:42,530 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T17:53:42,532 copying ./structures/block/ATS.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T17:53:42,534 copying ./structures/block/BOG_SI.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T17:53:42,536 copying ./structures/block/CHA_SI.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T17:53:42,538 copying ./structures/block/DDR.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T17:53:42,541 copying ./structures/block/DDR_ortho.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T17:53:42,543 copying ./structures/block/ERI_SI.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T17:53:42,545 copying ./structures/block/FAU.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T17:53:42,548 copying ./structures/block/FER.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T17:53:42,550 copying ./structures/block/GME.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T17:53:42,552 copying ./structures/block/ITQ-12.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T17:53:42,555 copying ./structures/block/ITQ-29.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T17:53:42,557 copying ./structures/block/ITQ-3.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T17:53:42,559 copying ./structures/block/LTA_SI.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T17:53:42,562 copying ./structures/block/LTL_SI.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T17:53:42,564 copying ./structures/block/MFI_Olson.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T17:53:42,566 copying ./structures/block/MFI_SI.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T17:53:42,568 copying ./structures/block/MFI_mono.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T17:53:42,571 copying ./structures/block/MOR_SI.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T17:53:42,573 copying ./structures/block/MTW.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T17:53:42,575 copying ./structures/block/TON.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T17:53:42,578 copying ./structures/block/test.block -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/block 2023-09-08T17:53:42,580 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,581 copying ./structures/cif/AEL.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,584 copying ./structures/cif/AFI_SI.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,586 copying ./structures/cif/AFX_SI.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,588 copying ./structures/cif/ATS.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,590 copying ./structures/cif/AlPO-17.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,592 copying ./structures/cif/AlPO-5.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,594 copying ./structures/cif/BEA.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,596 copying ./structures/cif/BOG_SI.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,598 copying ./structures/cif/CAN-12.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,600 copying ./structures/cif/CFI.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,602 copying ./structures/cif/CHA_SI.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,604 copying ./structures/cif/CHA_SI_mono.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,606 copying ./structures/cif/COF-1.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,608 copying ./structures/cif/COF-102.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,610 copying ./structures/cif/COF-103.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,612 copying ./structures/cif/COF-105.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,614 copying ./structures/cif/COF-108.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,615 copying ./structures/cif/COF-202.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,617 copying ./structures/cif/COF-300.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,619 copying ./structures/cif/COF-5.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,621 copying ./structures/cif/CON.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,623 copying ./structures/cif/Cd3BTB2.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,625 copying ./structures/cif/Co(2,6-NDP).cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,627 copying ./structures/cif/Co-DOBDC.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,629 copying ./structures/cif/CoBDP-Dubbeldam.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,631 copying ./structures/cif/CoBDP.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,634 copying ./structures/cif/Cu-BTC.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,636 copying ./structures/cif/DDR.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,638 copying ./structures/cif/DON.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,640 copying ./structures/cif/EMT.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,642 copying ./structures/cif/ERI_SI.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,644 copying ./structures/cif/FAU_SI.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,647 copying ./structures/cif/FER.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,649 copying ./structures/cif/GME.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,651 copying ./structures/cif/IRMOF-1-Ar.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,653 copying ./structures/cif/IRMOF-1.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,655 copying ./structures/cif/IRMOF-10.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,657 copying ./structures/cif/IRMOF-11.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,662 copying ./structures/cif/IRMOF-12.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,664 copying ./structures/cif/IRMOF-13.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,667 copying ./structures/cif/IRMOF-14.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,669 copying ./structures/cif/IRMOF-15.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,672 copying ./structures/cif/IRMOF-16.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,675 copying ./structures/cif/IRMOF-2.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,678 copying ./structures/cif/IRMOF-3.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,681 copying ./structures/cif/IRMOF-4.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,684 copying ./structures/cif/IRMOF-5.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,687 copying ./structures/cif/IRMOF-6.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,691 copying ./structures/cif/IRMOF-7.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,694 copying ./structures/cif/IRMOF-8.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,696 copying ./structures/cif/IRMOF-9.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,699 copying ./structures/cif/ISV.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,701 copying ./structures/cif/ITQ-1.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,703 copying ./structures/cif/ITQ-12.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,705 copying ./structures/cif/ITQ-29.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,707 copying ./structures/cif/ITQ-3.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,709 copying ./structures/cif/ITQ-7.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,711 copying ./structures/cif/KFI.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,714 copying ./structures/cif/LAU.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,716 copying ./structures/cif/LEV.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,718 copying ./structures/cif/LTA4A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,721 copying ./structures/cif/LTA5A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,723 copying ./structures/cif/LTA_SI.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,725 copying ./structures/cif/LTL_SI.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,727 copying ./structures/cif/MAF-X8.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,730 copying ./structures/cif/MAZ.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,732 copying ./structures/cif/MEI.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,734 copying ./structures/cif/MEL.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,735 copying ./structures/cif/MFI_SI.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,737 copying ./structures/cif/MFI_SI_Olson.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,739 copying ./structures/cif/MFI_SI_mono.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,742 copying ./structures/cif/MFI_para.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,744 copying ./structures/cif/MFS.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,746 copying ./structures/cif/MIL-100-primitive.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,751 copying ./structures/cif/MIL-100.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,763 copying ./structures/cif/MIL-101-primitive.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,770 copying ./structures/cif/MIL-101.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,792 copying ./structures/cif/MIL-140A-DFT.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,794 copying ./structures/cif/MIL-140B-DFT.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,796 copying ./structures/cif/MIL-140C-DFT.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,798 copying ./structures/cif/MIL-140D-DFT.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,800 copying ./structures/cif/MIL-47.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,802 copying ./structures/cif/MIL-53(Cr)ht.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,804 copying ./structures/cif/MIL-53(Cr)lt.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,806 copying ./structures/cif/MIL-88A-dry.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,808 copying ./structures/cif/MIL-88A-open.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,810 copying ./structures/cif/MIL-88B-dry.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,812 copying ./structures/cif/MIL-88B-open.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,814 copying ./structures/cif/MIL-88C-dry.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,816 copying ./structures/cif/MIL-88C-open.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,818 copying ./structures/cif/MIL-88D-dry.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,820 copying ./structures/cif/MIL-88D-open.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,822 copying ./structures/cif/MOF-1-Dybtsev-dmol.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,824 copying ./structures/cif/MOF-177.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,826 copying ./structures/cif/MOF-177_ortho.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,830 copying ./structures/cif/MOF-200.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,833 copying ./structures/cif/MOF-205.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,836 copying ./structures/cif/MOF-210-primitive.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,839 copying ./structures/cif/MOF-210.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,842 copying ./structures/cif/MOF-69c.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,844 copying ./structures/cif/MOF-70.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,846 copying ./structures/cif/MOF-72.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,848 copying ./structures/cif/MOR_SI.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,850 copying ./structures/cif/MTW_SI.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,852 copying ./structures/cif/Mg-DOBDC.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,854 copying ./structures/cif/MgMOF-74-VASP.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,856 copying ./structures/cif/MgMOF-74-extended-VASP.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,858 copying ./structures/cif/MgMOF-74.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,860 copying ./structures/cif/NU-100SP-primitive.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,863 copying ./structures/cif/NU-100SP.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,868 copying ./structures/cif/NU-108-Cu-primitive.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,872 copying ./structures/cif/NU-108-Cu.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,874 copying ./structures/cif/NU-108-Zn.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,878 copying ./structures/cif/NaX.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,881 copying ./structures/cif/Ni-DOBDC.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,883 copying ./structures/cif/OFF.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,885 copying ./structures/cif/PAU.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,888 copying ./structures/cif/PCN-60.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,891 copying ./structures/cif/PCN-61.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,893 copying ./structures/cif/PCN-68-primitive.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,897 copying ./structures/cif/PCN-68.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,899 copying ./structures/cif/RHO.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,902 copying ./structures/cif/SAPO-47.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,904 copying ./structures/cif/SAPO-56.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,907 copying ./structures/cif/SFF.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,909 copying ./structures/cif/SOD.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,911 copying ./structures/cif/STF.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,913 copying ./structures/cif/SWNT-1-14.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,918 copying ./structures/cif/SWNT-1-23.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,924 copying ./structures/cif/SWNT-10-11.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,929 copying ./structures/cif/SWNT-10-13.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,934 copying ./structures/cif/SWNT-11-18.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,941 copying ./structures/cif/SWNT-3-11.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,945 copying ./structures/cif/SWNT-3-20.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,951 copying ./structures/cif/SWNT-3-9.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,954 copying ./structures/cif/SWNT-4-14.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,957 copying ./structures/cif/TON.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,960 copying ./structures/cif/UIO-66.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,963 copying ./structures/cif/UMCM-1.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,966 copying ./structures/cif/VFI.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,968 copying ./structures/cif/ZIF-1.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,970 copying ./structures/cif/ZIF-10.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,973 copying ./structures/cif/ZIF-11.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,977 copying ./structures/cif/ZIF-12.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,980 copying ./structures/cif/ZIF-2.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,982 copying ./structures/cif/ZIF-20.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,991 copying ./structures/cif/ZIF-3.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,993 copying ./structures/cif/ZIF-4.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,996 copying ./structures/cif/ZIF-5.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:42,998 copying ./structures/cif/ZIF-6.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,000 copying ./structures/cif/ZIF-68.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,002 copying ./structures/cif/ZIF-69-crystal.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,005 copying ./structures/cif/ZIF-69.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,008 copying ./structures/cif/ZIF-7.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,010 copying ./structures/cif/ZIF-71.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,012 copying ./structures/cif/ZIF-77.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,014 copying ./structures/cif/ZIF-8.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,017 copying ./structures/cif/ZIF-80.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,018 copying ./structures/cif/ZIF-9.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,021 copying ./structures/cif/ZIF-90.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,023 copying ./structures/cif/ZIF-93.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,025 copying ./structures/cif/ZIF-96.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,027 copying ./structures/cif/ZIF-97.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,029 copying ./structures/cif/Zn-DOBDC.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,031 copying ./structures/cif/ZnBDC.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,033 copying ./structures/cif/ZnBDCdabco.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,035 copying ./structures/cif/ZnHBDC.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,037 copying ./structures/cif/ZnMOF-74-VASP.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,039 copying ./structures/cif/ZnMOF-74.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,041 copying ./structures/cif/Zr-TPDC.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,044 copying ./structures/cif/alpha-quartz.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,046 copying ./structures/cif/coesite.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,048 copying ./structures/cif/graphite-sheet-10.25A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,051 copying ./structures/cif/graphite-sheet-10.65A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,054 copying ./structures/cif/graphite-sheet-11.0A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,058 copying ./structures/cif/graphite-sheet-11.36A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,061 copying ./structures/cif/graphite-sheet-12.0A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,065 copying ./structures/cif/graphite-sheet-12.78A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,068 copying ./structures/cif/graphite-sheet-13.25A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,072 copying ./structures/cif/graphite-sheet-13.75A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,075 copying ./structures/cif/graphite-sheet-14.2A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,079 copying ./structures/cif/graphite-sheet-15.0A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,083 copying ./structures/cif/graphite-sheet-15.62A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,086 copying ./structures/cif/graphite-sheet-17.04A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,090 copying ./structures/cif/graphite-sheet-18.46A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,094 copying ./structures/cif/graphite-sheet-19.88A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,099 copying ./structures/cif/graphite-sheet-8.52A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,102 copying ./structures/cif/graphite-sheet-9.0A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,106 copying ./structures/cif/graphite-sheet-9.5A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,109 copying ./structures/cif/graphite-sheet-9.94A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,112 copying ./structures/cif/graphite-square-channel-11.36A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,116 copying ./structures/cif/graphite-square-channel-12.78A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,123 copying ./structures/cif/graphite-square-channel-14.2A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,130 copying ./structures/cif/graphite-square-channel-15.62A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,138 copying ./structures/cif/graphite-square-channel-17.04A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,146 copying ./structures/cif/graphite-square-channel-18.46A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,153 copying ./structures/cif/graphite-square-channel-19.88A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,160 copying ./structures/cif/graphite-square-channel-8.52A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,164 copying ./structures/cif/graphite-square-channel-9.94A.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,169 copying ./structures/cif/graphite.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,171 copying ./structures/cif/graphite_ortho.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,173 copying ./structures/cif/quartz.cif -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/cif 2023-09-08T17:53:43,175 creating build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/ions 2023-09-08T17:53:43,176 copying ./structures/ions/IRMOF-1-Ar.ions -> build/lib.linux-armv7l-cpython-311/RASPA2/share/raspa/structures/ions 2023-09-08T17:53:43,181 running build_ext 2023-09-08T17:53:43,727 building 'RASPA2.simulations.lib.libraspa2' extension 2023-09-08T17:53:43,729 creating build/temp.linux-armv7l-cpython-311 2023-09-08T17:53:43,729 creating build/temp.linux-armv7l-cpython-311/src 2023-09-08T17:53:43,731 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/cbmc.c -o build/temp.linux-armv7l-cpython-311/src/cbmc.o 2023-09-08T17:53:44,016 src/cbmc.c: In function ‘GrowReservoirMolecule’: 2023-09-08T17:53:44,019 src/cbmc.c:3184:7: warning: unused variable ‘StartingBead’ [-Wunused-variable] 2023-09-08T17:53:44,020 3184 | int StartingBead; 2023-09-08T17:53:44,020 | ^~~~~~~~~~~~ 2023-09-08T17:53:44,022 src/cbmc.c:3182:8: warning: unused variable ‘PreFactor’ [-Wunused-variable] 2023-09-08T17:53:44,022 3182 | REAL PreFactor; 2023-09-08T17:53:44,023 | ^~~~~~~~~ 2023-09-08T17:53:44,025 src/cbmc.c: In function ‘GrowReservoirMolecules’: 2023-09-08T17:53:44,028 src/cbmc.c:3285:7: warning: unused variable ‘StartingBead’ [-Wunused-variable] 2023-09-08T17:53:44,029 3285 | int StartingBead,mol_index; 2023-09-08T17:53:44,029 | ^~~~~~~~~~~~ 2023-09-08T17:53:44,031 src/cbmc.c:3283:8: warning: unused variable ‘PreFactor’ [-Wunused-variable] 2023-09-08T17:53:44,032 3283 | REAL PreFactor; 2023-09-08T17:53:44,032 | ^~~~~~~~~ 2023-09-08T17:53:44,035 src/cbmc.c: In function ‘GrowReservoirMolecules2’: 2023-09-08T17:53:44,038 src/cbmc.c:3395:7: warning: unused variable ‘StartingBead’ [-Wunused-variable] 2023-09-08T17:53:44,038 3395 | int StartingBead,mol_index; 2023-09-08T17:53:44,039 | ^~~~~~~~~~~~ 2023-09-08T17:53:44,041 src/cbmc.c:3393:8: warning: unused variable ‘PreFactor’ [-Wunused-variable] 2023-09-08T17:53:44,041 3393 | REAL PreFactor; 2023-09-08T17:53:44,042 | ^~~~~~~~~ 2023-09-08T17:53:44,189 src/cbmc.c: At top level: 2023-09-08T17:53:44,190 src/cbmc.c:326:13: warning: ‘EnergyCationPermanentDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2023-09-08T17:53:44,191 326 | static REAL EnergyCationPermanentDipolePermanentDipoleFirstBead; 2023-09-08T17:53:44,191 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:53:44,192 src/cbmc.c:325:13: warning: ‘EnergyAdsorbatePermanentDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2023-09-08T17:53:44,193 325 | static REAL EnergyAdsorbatePermanentDipolePermanentDipoleFirstBead; 2023-09-08T17:53:44,194 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:53:44,195 src/cbmc.c:324:13: warning: ‘EnergyHostPermanentDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2023-09-08T17:53:44,196 324 | static REAL EnergyHostPermanentDipolePermanentDipoleFirstBead; 2023-09-08T17:53:44,196 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:53:44,197 src/cbmc.c:323:13: warning: ‘EnergyCationBondDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2023-09-08T17:53:44,198 323 | static REAL EnergyCationBondDipolePermanentDipoleFirstBead; 2023-09-08T17:53:44,199 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:53:44,199 src/cbmc.c:322:13: warning: ‘EnergyAdsorbateBondDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2023-09-08T17:53:44,200 322 | static REAL EnergyAdsorbateBondDipolePermanentDipoleFirstBead; 2023-09-08T17:53:44,200 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:53:44,201 src/cbmc.c:321:13: warning: ‘EnergyHostBondDipolePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2023-09-08T17:53:44,201 321 | static REAL EnergyHostBondDipolePermanentDipoleFirstBead; 2023-09-08T17:53:44,202 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:53:44,202 src/cbmc.c:317:13: warning: ‘EnergyCationChargePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2023-09-08T17:53:44,203 317 | static REAL EnergyCationChargePermanentDipoleFirstBead; 2023-09-08T17:53:44,204 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:53:44,204 src/cbmc.c:316:13: warning: ‘EnergyAdsorbateChargePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2023-09-08T17:53:44,205 316 | static REAL EnergyAdsorbateChargePermanentDipoleFirstBead; 2023-09-08T17:53:44,205 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:53:44,206 src/cbmc.c:315:13: warning: ‘EnergyHostChargePermanentDipoleFirstBead’ defined but not used [-Wunused-variable] 2023-09-08T17:53:44,207 315 | static REAL EnergyHostChargePermanentDipoleFirstBead; 2023-09-08T17:53:44,207 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:53:44,207 src/cbmc.c:187:13: warning: ‘IntraPermanentDipoles’ defined but not used [-Wunused-variable] 2023-09-08T17:53:44,208 187 | static int *IntraPermanentDipoles; 2023-09-08T17:53:44,208 | ^~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:53:44,209 src/cbmc.c:186:12: warning: ‘NumberOfIntraPermanentDipoles’ defined but not used [-Wunused-variable] 2023-09-08T17:53:44,209 186 | static int NumberOfIntraPermanentDipoles; 2023-09-08T17:53:44,210 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:53:53,041 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/charge_equilibration.c -o build/temp.linux-armv7l-cpython-311/src/charge_equilibration.o 2023-09-08T17:53:53,236 src/charge_equilibration.c: In function ‘SolveMatrix’: 2023-09-08T17:53:53,237 src/charge_equilibration.c:634:8: warning: variable ‘aii’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:53,238 634 | REAL aii,alpha,f,ak; 2023-09-08T17:53:53,238 | ^~~ 2023-09-08T17:53:54,455 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/complex.c -o build/temp.linux-armv7l-cpython-311/src/complex.o 2023-09-08T17:53:54,729 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/constants.c -o build/temp.linux-armv7l-cpython-311/src/constants.o 2023-09-08T17:53:55,109 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/cubic_spline_1d.c -o build/temp.linux-armv7l-cpython-311/src/cubic_spline_1d.o 2023-09-08T17:53:55,247 src/cubic_spline_1d.c: In function ‘Trapezoidal’: 2023-09-08T17:53:55,247 src/cubic_spline_1d.c:157:18: warning: variable ‘tmp3’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:55,248 157 | REAL tmp1,tmp2,tmp3; 2023-09-08T17:53:55,249 | ^~~~ 2023-09-08T17:53:55,250 src/cubic_spline_1d.c:157:13: warning: variable ‘tmp2’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:55,250 157 | REAL tmp1,tmp2,tmp3; 2023-09-08T17:53:55,251 | ^~~~ 2023-09-08T17:53:55,253 src/cubic_spline_1d.c: In function ‘TrapezoidalWeight’: 2023-09-08T17:53:55,254 src/cubic_spline_1d.c:236:18: warning: variable ‘tmp3’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:55,254 236 | REAL tmp1,tmp2,tmp3; 2023-09-08T17:53:55,255 | ^~~~ 2023-09-08T17:53:55,256 src/cubic_spline_1d.c:236:13: warning: variable ‘tmp2’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:55,256 236 | REAL tmp1,tmp2,tmp3; 2023-09-08T17:53:55,257 | ^~~~ 2023-09-08T17:53:55,258 src/cubic_spline_1d.c:235:15: warning: variable ‘valueb’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:55,258 235 | REAL valuea,valueb; 2023-09-08T17:53:55,259 | ^~~~~~ 2023-09-08T17:53:55,260 src/cubic_spline_1d.c:235:8: warning: variable ‘valuea’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:55,261 235 | REAL valuea,valueb; 2023-09-08T17:53:55,261 | ^~~~~~ 2023-09-08T17:53:55,288 src/cubic_spline_1d.c: In function ‘CreateCubicFittingSpline’: 2023-09-08T17:53:55,289 src/cubic_spline_1d.c:891:7: warning: variable ‘error’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:55,290 891 | int error=7,i; 2023-09-08T17:53:55,290 | ^~~~~ 2023-09-08T17:53:57,215 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/equations_of_state.c -o build/temp.linux-armv7l-cpython-311/src/equations_of_state.o 2023-09-08T17:53:58,459 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/ewald.c -o build/temp.linux-armv7l-cpython-311/src/ewald.o 2023-09-08T17:53:58,662 src/ewald.c: In function ‘EwaldEnergyIon’: 2023-09-08T17:53:58,663 src/ewald.c:617:11: warning: variable ‘kvecs’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:58,664 617 | VECTOR *kvecs; 2023-09-08T17:53:58,664 | ^~~~~ 2023-09-08T17:53:58,683 src/ewald.c: In function ‘PrecomputeFixedEwaldContributions’: 2023-09-08T17:53:58,684 src/ewald.c:746:29: warning: variable ‘nr_of_coulombic_sites_framework’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:58,685 746 | int nr_of_coulombic_sites,nr_of_coulombic_sites_framework,nr_of_coulombic_sites_adsorbate,nr_of_coulombic_sites_cation; 2023-09-08T17:53:58,685 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:53:58,686 src/ewald.c:741:13: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:58,686 741 | REAL temp,alpha,charge; 2023-09-08T17:53:58,687 | ^~~~~ 2023-09-08T17:53:58,704 src/ewald.c: In function ‘PrecomputeTotalEwaldContributions’: 2023-09-08T17:53:58,705 src/ewald.c:1286:13: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:58,706 1286 | REAL temp,alpha,ksqr,recip_cutoff,charge; 2023-09-08T17:53:58,707 | ^~~~~ 2023-09-08T17:53:58,744 src/ewald.c: In function ‘EwaldFourierEnergy’: 2023-09-08T17:53:58,746 src/ewald.c:1780:8: warning: variable ‘Bt0’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:58,746 1780 | REAL Bt0,Bt1,Bt2,cosA,cosB,cosAB,scaling,scalingA,scalingB; 2023-09-08T17:53:58,747 | ^~~ 2023-09-08T17:53:58,748 src/ewald.c:1758:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:58,749 1758 | int nvec,type_mol,type,typeA,typeB; 2023-09-08T17:53:58,750 | ^~~~~ 2023-09-08T17:53:58,751 src/ewald.c:1758:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:58,752 1758 | int nvec,type_mol,type,typeA,typeB; 2023-09-08T17:53:58,752 | ^~~~~ 2023-09-08T17:53:58,821 src/ewald.c: In function ‘EwaldFourierForce’: 2023-09-08T17:53:58,824 src/ewald.c:2813:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:58,824 2813 | int nvec,type_mol,type,typeA,typeB; 2023-09-08T17:53:58,825 | ^~~~~ 2023-09-08T17:53:58,827 src/ewald.c:2813:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:58,828 2813 | int nvec,type_mol,type,typeA,typeB; 2023-09-08T17:53:58,829 | ^~~~~ 2023-09-08T17:53:58,913 src/ewald.c: In function ‘EwaldFourierBornTerm’: 2023-09-08T17:53:58,918 src/ewald.c:4752:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:58,918 4752 | int nvec,type_mol,type,typeA,typeB; 2023-09-08T17:53:58,919 | ^~~~~ 2023-09-08T17:53:58,923 src/ewald.c:4752:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:58,924 4752 | int nvec,type_mol,type,typeA,typeB; 2023-09-08T17:53:58,925 | ^~~~~ 2023-09-08T17:53:58,961 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbate’: 2023-09-08T17:53:58,968 src/ewald.c:6853:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:58,969 6853 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2023-09-08T17:53:58,969 | ^~~ 2023-09-08T17:53:59,007 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbateRXMC’: 2023-09-08T17:53:59,015 src/ewald.c:7588:7: warning: unused variable ‘typeA’ [-Wunused-variable] 2023-09-08T17:53:59,016 7588 | int typeA; 2023-09-08T17:53:59,016 | ^~~~~ 2023-09-08T17:53:59,025 src/ewald.c:7582:7: warning: variable ‘considered_charged’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:59,025 7582 | int considered_charged; 2023-09-08T17:53:59,026 | ^~~~~~~~~~~~~~~~~~ 2023-09-08T17:53:59,035 src/ewald.c:7581:9: warning: unused variable ‘atom_pointer’ [-Wunused-variable] 2023-09-08T17:53:59,035 7581 | ATOM *atom_pointer; 2023-09-08T17:53:59,036 | ^~~~~~~~~~~~ 2023-09-08T17:53:59,043 src/ewald.c:7580:8: warning: unused variable ‘pair’ [-Wunused-variable] 2023-09-08T17:53:59,044 7580 | PAIR pair; 2023-09-08T17:53:59,044 | ^~~~ 2023-09-08T17:53:59,052 src/ewald.c:7577:28: warning: unused variable ‘posB2’ [-Wunused-variable] 2023-09-08T17:53:59,053 7577 | VECTOR posA1,posA2,posB1,posB2; 2023-09-08T17:53:59,053 | ^~~~~ 2023-09-08T17:53:59,061 src/ewald.c:7577:22: warning: unused variable ‘posB1’ [-Wunused-variable] 2023-09-08T17:53:59,061 7577 | VECTOR posA1,posA2,posB1,posB2; 2023-09-08T17:53:59,062 | ^~~~~ 2023-09-08T17:53:59,071 src/ewald.c:7577:16: warning: unused variable ‘posA2’ [-Wunused-variable] 2023-09-08T17:53:59,071 7577 | VECTOR posA1,posA2,posB1,posB2; 2023-09-08T17:53:59,072 | ^~~~~ 2023-09-08T17:53:59,081 src/ewald.c:7577:10: warning: unused variable ‘posA1’ [-Wunused-variable] 2023-09-08T17:53:59,082 7577 | VECTOR posA1,posA2,posB1,posB2; 2023-09-08T17:53:59,082 | ^~~~~ 2023-09-08T17:53:59,090 src/ewald.c:7576:25: warning: unused variable ‘dipoleB’ [-Wunused-variable] 2023-09-08T17:53:59,090 7576 | VECTOR dipole,dipoleA,dipoleB,rk; 2023-09-08T17:53:59,091 | ^~~~~~~ 2023-09-08T17:53:59,098 src/ewald.c:7576:17: warning: unused variable ‘dipoleA’ [-Wunused-variable] 2023-09-08T17:53:59,099 7576 | VECTOR dipole,dipoleA,dipoleB,rk; 2023-09-08T17:53:59,099 | ^~~~~~~ 2023-09-08T17:53:59,107 src/ewald.c:7568:32: warning: unused variable ‘Bt2’ [-Wunused-variable] 2023-09-08T17:53:59,107 7568 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2023-09-08T17:53:59,108 | ^~~ 2023-09-08T17:53:59,115 src/ewald.c:7568:28: warning: unused variable ‘Bt1’ [-Wunused-variable] 2023-09-08T17:53:59,116 7568 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2023-09-08T17:53:59,117 | ^~~ 2023-09-08T17:53:59,124 src/ewald.c:7568:18: warning: unused variable ‘cosAB’ [-Wunused-variable] 2023-09-08T17:53:59,125 7568 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2023-09-08T17:53:59,125 | ^~~~~ 2023-09-08T17:53:59,133 src/ewald.c:7568:13: warning: unused variable ‘cosB’ [-Wunused-variable] 2023-09-08T17:53:59,133 7568 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2023-09-08T17:53:59,134 | ^~~~ 2023-09-08T17:53:59,141 src/ewald.c:7568:8: warning: unused variable ‘cosA’ [-Wunused-variable] 2023-09-08T17:53:59,142 7568 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2023-09-08T17:53:59,143 | ^~~~ 2023-09-08T17:53:59,150 src/ewald.c:7567:25: warning: unused variable ‘scalingB’ [-Wunused-variable] 2023-09-08T17:53:59,151 7567 | REAL scaling,scalingA,scalingB; 2023-09-08T17:53:59,151 | ^~~~~~~~ 2023-09-08T17:53:59,159 src/ewald.c:7567:16: warning: unused variable ‘scalingA’ [-Wunused-variable] 2023-09-08T17:53:59,159 7567 | REAL scaling,scalingA,scalingB; 2023-09-08T17:53:59,160 | ^~~~~~~~ 2023-09-08T17:53:59,167 src/ewald.c:7567:8: warning: unused variable ‘scaling’ [-Wunused-variable] 2023-09-08T17:53:59,168 7567 | REAL scaling,scalingA,scalingB; 2023-09-08T17:53:59,168 | ^~~~~~~ 2023-09-08T17:53:59,176 src/ewald.c:7564:39: warning: unused variable ‘rr’ [-Wunused-variable] 2023-09-08T17:53:59,176 7564 | REAL alpha,chargeA,chargeB,charge,r,rr; 2023-09-08T17:53:59,177 | ^~ 2023-09-08T17:53:59,184 src/ewald.c:7564:30: warning: unused variable ‘charge’ [-Wunused-variable] 2023-09-08T17:53:59,185 7564 | REAL alpha,chargeA,chargeB,charge,r,rr; 2023-09-08T17:53:59,185 | ^~~~~~ 2023-09-08T17:53:59,193 src/ewald.c:7562:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:59,193 7562 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2023-09-08T17:53:59,194 | ^~~ 2023-09-08T17:53:59,201 src/ewald.c:7557:30: warning: unused variable ‘nr_of_bonddipoles’ [-Wunused-variable] 2023-09-08T17:53:59,202 7557 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2023-09-08T17:53:59,202 | ^~~~~~~~~~~~~~~~~ 2023-09-08T17:53:59,210 src/ewald.c:7557:16: warning: unused variable ‘nr_atoms’ [-Wunused-variable] 2023-09-08T17:53:59,211 7557 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2023-09-08T17:53:59,211 | ^~~~~~~~ 2023-09-08T17:53:59,219 src/ewald.c:7557:7: warning: unused variable ‘type_mol’ [-Wunused-variable] 2023-09-08T17:53:59,219 7557 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2023-09-08T17:53:59,220 | ^~~~~~~~ 2023-09-08T17:53:59,252 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbateRXMC2’: 2023-09-08T17:53:59,261 src/ewald.c:9160:8: warning: unused variable ‘scalingB_old’ [-Wunused-variable] 2023-09-08T17:53:59,262 9160 | REAL scalingB_old; 2023-09-08T17:53:59,262 | ^~~~~~~~~~~~ 2023-09-08T17:53:59,271 src/ewald.c:8464:20: warning: unused variable ‘chargeA_old’ [-Wunused-variable] 2023-09-08T17:53:59,271 8464 | REAL chargeA_new,chargeA_old; 2023-09-08T17:53:59,272 | ^~~~~~~~~~~ 2023-09-08T17:53:59,280 src/ewald.c:8463:21: warning: unused variable ‘scalingA_old’ [-Wunused-variable] 2023-09-08T17:53:59,281 8463 | REAL scalingA_new,scalingA_old; 2023-09-08T17:53:59,281 | ^~~~~~~~~~~~ 2023-09-08T17:53:59,290 src/ewald.c:8462:7: warning: unused variable ‘typeA’ [-Wunused-variable] 2023-09-08T17:53:59,290 8462 | int typeA; 2023-09-08T17:53:59,291 | ^~~~~ 2023-09-08T17:53:59,299 src/ewald.c:8460:7: warning: variable ‘RXMCMoleculeNumbers’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:59,300 8460 | int RXMCMoleculeNumbers[256]; 2023-09-08T17:53:59,301 | ^~~~~~~~~~~~~~~~~~~ 2023-09-08T17:53:59,309 src/ewald.c:8456:7: warning: unused variable ‘considered_charged’ [-Wunused-variable] 2023-09-08T17:53:59,309 8456 | int considered_charged; 2023-09-08T17:53:59,310 | ^~~~~~~~~~~~~~~~~~ 2023-09-08T17:53:59,318 src/ewald.c:8455:9: warning: unused variable ‘atom_pointer’ [-Wunused-variable] 2023-09-08T17:53:59,319 8455 | ATOM *atom_pointer; 2023-09-08T17:53:59,320 | ^~~~~~~~~~~~ 2023-09-08T17:53:59,328 src/ewald.c:8454:8: warning: unused variable ‘pair’ [-Wunused-variable] 2023-09-08T17:53:59,329 8454 | PAIR pair; 2023-09-08T17:53:59,329 | ^~~~ 2023-09-08T17:53:59,338 src/ewald.c:8451:28: warning: unused variable ‘posB2’ [-Wunused-variable] 2023-09-08T17:53:59,338 8451 | VECTOR posA1,posA2,posB1,posB2; 2023-09-08T17:53:59,339 | ^~~~~ 2023-09-08T17:53:59,347 src/ewald.c:8451:22: warning: unused variable ‘posB1’ [-Wunused-variable] 2023-09-08T17:53:59,348 8451 | VECTOR posA1,posA2,posB1,posB2; 2023-09-08T17:53:59,348 | ^~~~~ 2023-09-08T17:53:59,357 src/ewald.c:8451:16: warning: unused variable ‘posA2’ [-Wunused-variable] 2023-09-08T17:53:59,357 8451 | VECTOR posA1,posA2,posB1,posB2; 2023-09-08T17:53:59,358 | ^~~~~ 2023-09-08T17:53:59,366 src/ewald.c:8451:10: warning: unused variable ‘posA1’ [-Wunused-variable] 2023-09-08T17:53:59,367 8451 | VECTOR posA1,posA2,posB1,posB2; 2023-09-08T17:53:59,367 | ^~~~~ 2023-09-08T17:53:59,375 src/ewald.c:8450:25: warning: unused variable ‘dipoleB’ [-Wunused-variable] 2023-09-08T17:53:59,376 8450 | VECTOR dipole,dipoleA,dipoleB,rk; 2023-09-08T17:53:59,376 | ^~~~~~~ 2023-09-08T17:53:59,385 src/ewald.c:8450:17: warning: unused variable ‘dipoleA’ [-Wunused-variable] 2023-09-08T17:53:59,385 8450 | VECTOR dipole,dipoleA,dipoleB,rk; 2023-09-08T17:53:59,386 | ^~~~~~~ 2023-09-08T17:53:59,394 src/ewald.c:8442:32: warning: unused variable ‘Bt2’ [-Wunused-variable] 2023-09-08T17:53:59,395 8442 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2023-09-08T17:53:59,396 | ^~~ 2023-09-08T17:53:59,404 src/ewald.c:8442:28: warning: unused variable ‘Bt1’ [-Wunused-variable] 2023-09-08T17:53:59,404 8442 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2023-09-08T17:53:59,405 | ^~~ 2023-09-08T17:53:59,413 src/ewald.c:8442:18: warning: unused variable ‘cosAB’ [-Wunused-variable] 2023-09-08T17:53:59,414 8442 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2023-09-08T17:53:59,414 | ^~~~~ 2023-09-08T17:53:59,423 src/ewald.c:8442:13: warning: unused variable ‘cosB’ [-Wunused-variable] 2023-09-08T17:53:59,424 8442 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2023-09-08T17:53:59,424 | ^~~~ 2023-09-08T17:53:59,432 src/ewald.c:8442:8: warning: unused variable ‘cosA’ [-Wunused-variable] 2023-09-08T17:53:59,433 8442 | REAL cosA,cosB,cosAB,Bt0,Bt1,Bt2,temp; 2023-09-08T17:53:59,434 | ^~~~ 2023-09-08T17:53:59,442 src/ewald.c:8441:25: warning: unused variable ‘scalingB’ [-Wunused-variable] 2023-09-08T17:53:59,443 8441 | REAL scaling,scalingA,scalingB; 2023-09-08T17:53:59,443 | ^~~~~~~~ 2023-09-08T17:53:59,451 src/ewald.c:8441:16: warning: unused variable ‘scalingA’ [-Wunused-variable] 2023-09-08T17:53:59,452 8441 | REAL scaling,scalingA,scalingB; 2023-09-08T17:53:59,453 | ^~~~~~~~ 2023-09-08T17:53:59,461 src/ewald.c:8441:8: warning: unused variable ‘scaling’ [-Wunused-variable] 2023-09-08T17:53:59,462 8441 | REAL scaling,scalingA,scalingB; 2023-09-08T17:53:59,462 | ^~~~~~~ 2023-09-08T17:53:59,471 src/ewald.c:8438:39: warning: unused variable ‘rr’ [-Wunused-variable] 2023-09-08T17:53:59,471 8438 | REAL alpha,chargeA,chargeB,charge,r,rr; 2023-09-08T17:53:59,472 | ^~ 2023-09-08T17:53:59,480 src/ewald.c:8438:30: warning: unused variable ‘charge’ [-Wunused-variable] 2023-09-08T17:53:59,481 8438 | REAL alpha,chargeA,chargeB,charge,r,rr; 2023-09-08T17:53:59,481 | ^~~~~~ 2023-09-08T17:53:59,490 src/ewald.c:8436:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:59,490 8436 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2023-09-08T17:53:59,491 | ^~~ 2023-09-08T17:53:59,500 src/ewald.c:8431:30: warning: unused variable ‘nr_of_bonddipoles’ [-Wunused-variable] 2023-09-08T17:53:59,500 8431 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2023-09-08T17:53:59,501 | ^~~~~~~~~~~~~~~~~ 2023-09-08T17:53:59,509 src/ewald.c:8431:16: warning: unused variable ‘nr_atoms’ [-Wunused-variable] 2023-09-08T17:53:59,510 8431 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2023-09-08T17:53:59,510 | ^~~~~~~~ 2023-09-08T17:53:59,518 src/ewald.c:8431:7: warning: unused variable ‘type_mol’ [-Wunused-variable] 2023-09-08T17:53:59,519 8431 | int type_mol,nr_atoms,type,nr_of_bonddipoles; 2023-09-08T17:53:59,519 | ^~~~~~~~ 2023-09-08T17:53:59,558 src/ewald.c: In function ‘CalculateEwaldFourierAdsorbateCF’: 2023-09-08T17:53:59,568 src/ewald.c:9231:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:59,569 9231 | REAL fac,energy_charge_adsorbates,energy_charge_adsorbates_cations,energy_charge_framework_adsorbates; 2023-09-08T17:53:59,569 | ^~~ 2023-09-08T17:53:59,610 src/ewald.c: In function ‘CalculateEwaldFourierCation’: 2023-09-08T17:53:59,620 src/ewald.c:9940:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:59,621 9940 | REAL fac,energy_charge_cations,energy_charge_adsorbates_cations,energy_charge_framework_cations; 2023-09-08T17:53:59,621 | ^~~ 2023-09-08T17:53:59,669 src/ewald.c: In function ‘CalculateEwaldFourierCationCF’: 2023-09-08T17:53:59,680 src/ewald.c:10649:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:59,681 10649 | REAL fac,energy_charge_cations,energy_charge_adsorbates_cations,energy_charge_framework_cations; 2023-09-08T17:53:59,681 | ^~~ 2023-09-08T17:53:59,717 src/ewald.c: In function ‘CalculateEwaldFourierFrameworkDisplacement’: 2023-09-08T17:53:59,729 src/ewald.c:11490:8: warning: variable ‘NetChargeNew’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:59,730 11490 | REAL NetChargeNew,NetChargeOld; 2023-09-08T17:53:59,730 | ^~~~~~~~~~~~ 2023-09-08T17:53:59,769 src/ewald.c: In function ‘CalculateEwaldFourierFrameworkAtomTranslate’: 2023-09-08T17:53:59,782 src/ewald.c:11973:13: warning: variable ‘TypeA’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:59,782 11973 | int B1,B2,TypeA; 2023-09-08T17:53:59,783 | ^~~~~ 2023-09-08T17:53:59,794 src/ewald.c:11964:13: warning: variable ‘index’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:59,795 11964 | int A1,A2,index,A,B; 2023-09-08T17:53:59,795 | ^~~~~ 2023-09-08T17:53:59,806 src/ewald.c:11960:8: warning: variable ‘NetChargeNew’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:59,807 11960 | REAL NetChargeNew,NetChargeOld; 2023-09-08T17:53:59,808 | ^~~~~~~~~~~~ 2023-09-08T17:53:59,819 src/ewald.c:11956:8: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:59,819 11956 | REAL fac; 2023-09-08T17:53:59,820 | ^~~ 2023-09-08T17:53:59,831 src/ewald.c:11955:7: warning: variable ‘Type’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:59,832 11955 | int Type; 2023-09-08T17:53:59,832 | ^~~~ 2023-09-08T17:53:59,843 src/ewald.c: In function ‘EwaldFourierElectrostaticPotentialAdsorbate’: 2023-09-08T17:53:59,856 src/ewald.c:12623:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:59,856 12623 | int typeA,typeB,type; 2023-09-08T17:53:59,857 | ^~~~~ 2023-09-08T17:53:59,868 src/ewald.c:12623:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:59,869 12623 | int typeA,typeB,type; 2023-09-08T17:53:59,870 | ^~~~~ 2023-09-08T17:53:59,881 src/ewald.c:12620:11: warning: variable ‘kvecs’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:59,881 12620 | VECTOR *kvecs; 2023-09-08T17:53:59,882 | ^~~~~ 2023-09-08T17:53:59,892 src/ewald.c: In function ‘EwaldFourierElectrostaticPotentialCation’: 2023-09-08T17:53:59,905 src/ewald.c:12789:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:59,906 12789 | int typeA,typeB,type; 2023-09-08T17:53:59,906 | ^~~~~ 2023-09-08T17:53:59,918 src/ewald.c:12789:7: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:59,918 12789 | int typeA,typeB,type; 2023-09-08T17:53:59,919 | ^~~~~ 2023-09-08T17:53:59,931 src/ewald.c:12786:11: warning: variable ‘kvecs’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:59,931 12786 | VECTOR *kvecs; 2023-09-08T17:53:59,932 | ^~~~~ 2023-09-08T17:53:59,974 src/ewald.c: In function ‘EwaldFourierStaticElectricField’: 2023-09-08T17:53:59,987 src/ewald.c:12959:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:53:59,987 12959 | int nvec,type_mol,type,typeA,typeB; 2023-09-08T17:53:59,988 | ^~~~~ 2023-09-08T17:54:00,000 src/ewald.c:12959:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:54:00,000 12959 | int nvec,type_mol,type,typeA,typeB; 2023-09-08T17:54:00,001 | ^~~~~ 2023-09-08T17:54:00,049 src/ewald.c: In function ‘ComputeStaticElectricFieldEwald’: 2023-09-08T17:54:00,062 src/ewald.c:13673:32: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:54:00,063 13673 | int nvec,type_mol,type,typeA,typeB; 2023-09-08T17:54:00,064 | ^~~~~ 2023-09-08T17:54:00,076 src/ewald.c:13673:26: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:54:00,077 13673 | int nvec,type_mol,type,typeA,typeB; 2023-09-08T17:54:00,078 | ^~~~~ 2023-09-08T17:54:00,103 src/ewald.c: In function ‘ComputeElectricFieldFromInducedDipolesEwald’: 2023-09-08T17:54:00,119 src/ewald.c:15149:8: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:54:00,119 15149 | REAL alpha,fac,temp,fac_self,factor,charge; 2023-09-08T17:54:00,120 | ^~~~~ 2023-09-08T17:54:00,147 src/ewald.c: In function ‘ComputeElectricFieldFromInducedDipolesEwaldMC’: 2023-09-08T17:54:00,163 src/ewald.c:15491:8: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:54:00,164 15491 | REAL alpha,fac,temp,fac_self,factor,charge; 2023-09-08T17:54:00,165 | ^~~~~ 2023-09-08T17:54:04,140 src/ewald.c: In function ‘CalculateEwaldFourierDerivatives’: 2023-09-08T17:54:04,159 src/ewald.c:18725:17: warning: variable ‘alpha’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:54:04,160 18725 | REAL *kfactor,alpha,temp; 2023-09-08T17:54:04,161 | ^~~~~ 2023-09-08T17:54:04,179 src/ewald.c:18710:8: warning: variable ‘Usum_framework’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:54:04,180 18710 | REAL Usum_framework; 2023-09-08T17:54:04,180 | ^~~~~~~~~~~~~~ 2023-09-08T17:54:04,199 src/ewald.c:18708:17: warning: variable ‘CksumFramework’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:54:04,199 18708 | COMPLEX Cksum,CksumFramework; 2023-09-08T17:54:04,200 | ^~~~~~~~~~~~~~ 2023-09-08T17:54:04,218 src/ewald.c:18695:17: warning: variable ‘energy_term’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:54:04,219 18695 | REAL exp_term,energy_term; 2023-09-08T17:54:04,220 | ^~~~~~~~~~~ 2023-09-08T17:54:04,238 src/ewald.c:18694:13: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:54:04,239 18694 | REAL Rksq,fac; 2023-09-08T17:54:04,239 | ^~~ 2023-09-08T17:54:04,258 src/ewald.c:18693:18: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:54:04,258 18693 | int type,typeA,typeB,Type; 2023-09-08T17:54:04,259 | ^~~~~ 2023-09-08T17:54:04,278 src/ewald.c:18693:12: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:54:04,278 18693 | int type,typeA,typeB,Type; 2023-09-08T17:54:04,279 | ^~~~~ 2023-09-08T17:55:26,151 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/framework.c -o build/temp.linux-armv7l-cpython-311/src/framework.o 2023-09-08T17:55:26,366 src/framework.c: In function ‘MakeFrameworkCellList’: 2023-09-08T17:55:26,366 src/framework.c:145:18: warning: variable ‘M’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:55:26,367 145 | int i,f1,icell,M; 2023-09-08T17:55:26,367 | ^ 2023-09-08T17:55:26,423 src/framework.c: In function ‘ReadFrameworkDefinitionCIF’: 2023-09-08T17:55:26,424 src/framework.c:350:7: warning: variable ‘NumberOfAtomTypeElementsInBlock’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:55:26,425 350 | int NumberOfAtomTypeElementsInBlock; 2023-09-08T17:55:26,425 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:55:26,537 src/framework.c: In function ‘WriteFrameworkDefinitionCIF’: 2023-09-08T17:55:26,539 src/framework.c:2057:12: warning: variable ‘C’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:55:26,539 2057 | REAL A,B,C; 2023-09-08T17:55:26,540 | ^ 2023-09-08T17:55:26,541 src/framework.c:2057:10: warning: variable ‘B’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:55:26,541 2057 | REAL A,B,C; 2023-09-08T17:55:26,542 | ^ 2023-09-08T17:55:26,543 src/framework.c:2057:8: warning: variable ‘A’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:55:26,543 2057 | REAL A,B,C; 2023-09-08T17:55:26,544 | ^ 2023-09-08T17:55:26,566 src/framework.c: In function ‘ReadFrameworkDefinitionCSSR’: 2023-09-08T17:55:26,570 src/framework.c:3254:14: warning: variable ‘index’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:55:26,570 3254 | int i,temp,index; 2023-09-08T17:55:26,571 | ^~~~~ 2023-09-08T17:55:26,581 src/framework.c: In function ‘WriteFrameworkDefinitionPDB’: 2023-09-08T17:55:26,585 src/framework.c:3558:9: warning: variable ‘Type’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:55:26,585 3558 | int j,Type; 2023-09-08T17:55:26,586 | ^~~~ 2023-09-08T17:55:26,596 src/framework.c: In function ‘WriteFrameworkDefinitionGulp’: 2023-09-08T17:55:26,600 src/framework.c:3648:8: warning: variable ‘SerialNumber’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:55:26,600 3648 | int SerialNumber; // Atom serial number 2023-09-08T17:55:26,601 | ^~~~~~~~~~~~ 2023-09-08T17:55:26,667 src/framework.c: In function ‘ReadIonSitingDefinition’: 2023-09-08T17:55:26,671 src/framework.c:4843:14: warning: variable ‘index’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:55:26,672 4843 | int i,temp,index; 2023-09-08T17:55:26,673 | ^~~~~ 2023-09-08T17:55:26,683 src/framework.c: In function ‘ReturnNumberOfAsymmetricAtoms’: 2023-09-08T17:55:26,688 src/framework.c:5049:16: warning: variable ‘t’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:55:26,689 5049 | VECTOR pos,s,t; 2023-09-08T17:55:26,690 | ^ 2023-09-08T17:55:26,789 src/framework.c: In function ‘AddTorsionTypeToDefinitions’: 2023-09-08T17:55:26,795 src/framework.c:6742:7: warning: unused variable ‘CompareParameters’ [-Wunused-variable] 2023-09-08T17:55:26,795 6742 | int CompareParameters; 2023-09-08T17:55:26,796 | ^~~~~~~~~~~~~~~~~ 2023-09-08T17:55:26,798 src/framework.c: In function ‘AddImproperTorsionTypeToDefinitions’: 2023-09-08T17:55:26,804 src/framework.c:6833:7: warning: unused variable ‘CompareParameters’ [-Wunused-variable] 2023-09-08T17:55:26,805 6833 | int CompareParameters; 2023-09-08T17:55:26,806 | ^~~~~~~~~~~~~~~~~ 2023-09-08T17:55:26,843 src/framework.c: In function ‘ReadFrameworkSpecificDefinition’: 2023-09-08T17:55:26,850 src/framework.c:6943:7: warning: unused variable ‘int_temp1’ [-Wunused-variable] 2023-09-08T17:55:26,851 6943 | int int_temp1,int_temp2; 2023-09-08T17:55:26,851 | ^~~~~~~~~ 2023-09-08T17:55:26,857 src/framework.c:6941:18: warning: unused variable ‘dr’ [-Wunused-variable] 2023-09-08T17:55:26,858 6941 | VECTOR Rab,Rbc,dr; 2023-09-08T17:55:26,858 | ^~ 2023-09-08T17:55:26,864 src/framework.c:6941:14: warning: unused variable ‘Rbc’ [-Wunused-variable] 2023-09-08T17:55:26,865 6941 | VECTOR Rab,Rbc,dr; 2023-09-08T17:55:26,865 | ^~~ 2023-09-08T17:55:26,871 src/framework.c:6941:10: warning: unused variable ‘Rab’ [-Wunused-variable] 2023-09-08T17:55:26,872 6941 | VECTOR Rab,Rbc,dr; 2023-09-08T17:55:26,872 | ^~~ 2023-09-08T17:55:26,878 src/framework.c:6939:18: warning: unused variable ‘theta’ [-Wunused-variable] 2023-09-08T17:55:26,879 6939 | REAL r,rab,rbc,theta; 2023-09-08T17:55:26,879 | ^~~~~ 2023-09-08T17:55:26,885 src/framework.c:6939:14: warning: unused variable ‘rbc’ [-Wunused-variable] 2023-09-08T17:55:26,886 6939 | REAL r,rab,rbc,theta; 2023-09-08T17:55:26,886 | ^~~ 2023-09-08T17:55:26,892 src/framework.c:6939:10: warning: unused variable ‘rab’ [-Wunused-variable] 2023-09-08T17:55:26,893 6939 | REAL r,rab,rbc,theta; 2023-09-08T17:55:26,893 | ^~~ 2023-09-08T17:55:26,899 src/framework.c:6939:8: warning: unused variable ‘r’ [-Wunused-variable] 2023-09-08T17:55:26,900 6939 | REAL r,rab,rbc,theta; 2023-09-08T17:55:26,901 | ^ 2023-09-08T17:55:26,906 src/framework.c:6938:70: warning: unused variable ‘BendTorsionType’ [-Wunused-variable] 2023-09-08T17:55:26,907 6938 | int BondBondType=0,BondBendType=0,BendBendType=0,BondTorsionType=0,BendTorsionType=0; 2023-09-08T17:55:26,908 | ^~~~~~~~~~~~~~~ 2023-09-08T17:55:26,913 src/framework.c:6938:52: warning: unused variable ‘BondTorsionType’ [-Wunused-variable] 2023-09-08T17:55:26,914 6938 | int BondBondType=0,BondBendType=0,BendBendType=0,BondTorsionType=0,BendTorsionType=0; 2023-09-08T17:55:26,915 | ^~~~~~~~~~~~~~~ 2023-09-08T17:55:26,920 src/framework.c:6938:37: warning: unused variable ‘BendBendType’ [-Wunused-variable] 2023-09-08T17:55:26,921 6938 | int BondBondType=0,BondBendType=0,BendBendType=0,BondTorsionType=0,BendTorsionType=0; 2023-09-08T17:55:26,922 | ^~~~~~~~~~~~ 2023-09-08T17:55:26,927 src/framework.c:6938:22: warning: unused variable ‘BondBendType’ [-Wunused-variable] 2023-09-08T17:55:26,928 6938 | int BondBondType=0,BondBendType=0,BendBendType=0,BondTorsionType=0,BendTorsionType=0; 2023-09-08T17:55:26,929 | ^~~~~~~~~~~~ 2023-09-08T17:55:26,934 src/framework.c:6938:7: warning: unused variable ‘BondBondType’ [-Wunused-variable] 2023-09-08T17:55:26,935 6938 | int BondBondType=0,BondBendType=0,BendBendType=0,BondTorsionType=0,BendTorsionType=0; 2023-09-08T17:55:26,936 | ^~~~~~~~~~~~ 2023-09-08T17:55:26,941 src/framework.c:6937:43: warning: unused variable ‘InversionBendType’ [-Wunused-variable] 2023-09-08T17:55:26,942 6937 | int BondType=0,BendType=0,TorsionType=0,InversionBendType=0,ImproperTorsionType=0; 2023-09-08T17:55:26,943 | ^~~~~~~~~~~~~~~~~ 2023-09-08T17:55:26,948 src/framework.c:6936:7: warning: variable ‘NumberOfArguments’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:55:26,949 6936 | int NumberOfArguments; 2023-09-08T17:55:26,950 | ^~~~~~~~~~~~~~~~~ 2023-09-08T17:55:26,955 src/framework.c:6933:53: warning: unused variable ‘TypeNameD’ [-Wunused-variable] 2023-09-08T17:55:26,956 6933 | char TypeNameA[256],TypeNameB[256],TypeNameC[256],TypeNameD[256]; 2023-09-08T17:55:26,957 | ^~~~~~~~~ 2023-09-08T17:55:26,962 src/framework.c:6933:38: warning: unused variable ‘TypeNameC’ [-Wunused-variable] 2023-09-08T17:55:26,963 6933 | char TypeNameA[256],TypeNameB[256],TypeNameC[256],TypeNameD[256]; 2023-09-08T17:55:26,963 | ^~~~~~~~~ 2023-09-08T17:55:26,969 src/framework.c:6932:123: warning: unused variable ‘ListTypeD’ [-Wunused-variable] 2023-09-08T17:55:26,970 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2023-09-08T17:55:26,970 | ^~~~~~~~~ 2023-09-08T17:55:26,976 src/framework.c:6932:113: warning: unused variable ‘ListTypeC’ [-Wunused-variable] 2023-09-08T17:55:26,977 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2023-09-08T17:55:26,978 | ^~~~~~~~~ 2023-09-08T17:55:26,984 src/framework.c:6932:87: warning: unused variable ‘CurrentTypeD’ [-Wunused-variable] 2023-09-08T17:55:26,984 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2023-09-08T17:55:26,985 | ^~~~~~~~~~~~ 2023-09-08T17:55:26,991 src/framework.c:6932:74: warning: unused variable ‘CurrentTypeC’ [-Wunused-variable] 2023-09-08T17:55:26,991 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2023-09-08T17:55:26,992 | ^~~~~~~~~~~~ 2023-09-08T17:55:26,998 src/framework.c:6932:61: warning: unused variable ‘CurrentTypeB’ [-Wunused-variable] 2023-09-08T17:55:26,998 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2023-09-08T17:55:26,999 | ^~~~~~~~~~~~ 2023-09-08T17:55:27,005 src/framework.c:6932:48: warning: unused variable ‘CurrentTypeA’ [-Wunused-variable] 2023-09-08T17:55:27,005 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2023-09-08T17:55:27,006 | ^~~~~~~~~~~~ 2023-09-08T17:55:27,012 src/framework.c:6932:21: warning: unused variable ‘C1’ [-Wunused-variable] 2023-09-08T17:55:27,012 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2023-09-08T17:55:27,013 | ^~ 2023-09-08T17:55:27,019 src/framework.c:6932:18: warning: unused variable ‘B1’ [-Wunused-variable] 2023-09-08T17:55:27,019 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2023-09-08T17:55:27,020 | ^~ 2023-09-08T17:55:27,026 src/framework.c:6932:15: warning: unused variable ‘A1’ [-Wunused-variable] 2023-09-08T17:55:27,026 6932 | int A,B,C,D,A1,B1,C1,TypeA,TypeB,TypeC,TypeD,CurrentTypeA,CurrentTypeB,CurrentTypeC,CurrentTypeD,index,index2,ListTypeC,ListTypeD; 2023-09-08T17:55:27,027 | ^~ 2023-09-08T17:55:27,033 src/framework.c:6931:60: warning: unused variable ‘arg_pointer’ [-Wunused-variable] 2023-09-08T17:55:27,033 6931 | char keyword[1024],arguments[16384],firstargument[1024],*arg_pointer; 2023-09-08T17:55:27,034 | ^~~~~~~~~~~ 2023-09-08T17:55:27,040 src/framework.c:6930:20: warning: unused variable ‘string’ [-Wunused-variable] 2023-09-08T17:55:27,040 6930 | char line[16384],string[1024],buffer[256]; 2023-09-08T17:55:27,041 | ^~~~~~ 2023-09-08T17:55:27,047 src/framework.c:6929:45: warning: unused variable ‘nr_atoms’ [-Wunused-variable] 2023-09-08T17:55:27,047 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2023-09-08T17:55:27,048 | ^~~~~~~~ 2023-09-08T17:55:27,054 src/framework.c:6929:37: warning: unused variable ‘present’ [-Wunused-variable] 2023-09-08T17:55:27,054 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2023-09-08T17:55:27,055 | ^~~~~~~ 2023-09-08T17:55:27,061 src/framework.c:6929:22: warning: unused variable ‘index_excluded’ [-Wunused-variable] 2023-09-08T17:55:27,061 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2023-09-08T17:55:27,062 | ^~~~~~~~~~~~~~ 2023-09-08T17:55:27,068 src/framework.c:6929:19: warning: unused variable ‘f1’ [-Wunused-variable] 2023-09-08T17:55:27,068 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2023-09-08T17:55:27,069 | ^~ 2023-09-08T17:55:27,075 src/framework.c:6929:17: warning: unused variable ‘n’ [-Wunused-variable] 2023-09-08T17:55:27,075 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2023-09-08T17:55:27,076 | ^ 2023-09-08T17:55:27,082 src/framework.c:6929:15: warning: unused variable ‘m’ [-Wunused-variable] 2023-09-08T17:55:27,082 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2023-09-08T17:55:27,083 | ^ 2023-09-08T17:55:27,089 src/framework.c:6929:13: warning: unused variable ‘l’ [-Wunused-variable] 2023-09-08T17:55:27,089 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2023-09-08T17:55:27,090 | ^ 2023-09-08T17:55:27,096 src/framework.c:6929:11: warning: unused variable ‘k’ [-Wunused-variable] 2023-09-08T17:55:27,096 6929 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2023-09-08T17:55:27,097 | ^ 2023-09-08T17:55:27,116 src/framework.c: In function ‘WriteFrameworkDefinitionDLPOLY’: 2023-09-08T17:55:27,124 src/framework.c:7308:25: warning: variable ‘typeD’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:55:27,124 7308 | int typeA,typeB,typeC,typeD; 2023-09-08T17:55:27,125 | ^~~~~ 2023-09-08T17:55:27,131 src/framework.c:7308:19: warning: variable ‘typeC’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:55:27,132 7308 | int typeA,typeB,typeC,typeD; 2023-09-08T17:55:27,132 | ^~~~~ 2023-09-08T17:55:27,139 src/framework.c:7308:13: warning: variable ‘typeB’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:55:27,139 7308 | int typeA,typeB,typeC,typeD; 2023-09-08T17:55:27,140 | ^~~~~ 2023-09-08T17:55:27,331 src/framework.c: In function ‘ReadFrameworkDefinition’: 2023-09-08T17:55:27,339 src/framework.c:7827:8: warning: unused variable ‘string’ [-Wunused-variable] 2023-09-08T17:55:27,340 7827 | char string[256]; 2023-09-08T17:55:27,341 | ^~~~~~ 2023-09-08T17:55:27,347 src/framework.c:7826:17: warning: unused variable ‘int_temp2’ [-Wunused-variable] 2023-09-08T17:55:27,347 7826 | int int_temp1,int_temp2; 2023-09-08T17:55:27,348 | ^~~~~~~~~ 2023-09-08T17:55:27,355 src/framework.c:7826:7: warning: unused variable ‘int_temp1’ [-Wunused-variable] 2023-09-08T17:55:27,355 7826 | int int_temp1,int_temp2; 2023-09-08T17:55:27,356 | ^~~~~~~~~ 2023-09-08T17:55:27,363 src/framework.c:7814:22: warning: variable ‘index_excluded’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:55:27,363 7814 | int i,j,k,l,m,n,f1,index_excluded,present,nr_atoms; 2023-09-08T17:55:27,364 | ^~~~~~~~~~~~~~ 2023-09-08T17:55:27,398 src/framework.c: In function ‘MakeExcludedInteractionLists’: 2023-09-08T17:55:27,409 src/framework.c:11201:13: warning: variable ‘TypeB’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:55:27,410 11201 | int TypeA,TypeB; 2023-09-08T17:55:27,411 | ^~~~~ 2023-09-08T17:55:27,421 src/framework.c:11201:7: warning: variable ‘TypeA’ set but not used [-Wunused-but-set-variable] 2023-09-08T17:55:27,422 11201 | int TypeA,TypeB; 2023-09-08T17:55:27,422 | ^~~~~ 2023-09-08T17:55:31,775 src/framework.c: In function ‘WriteFrameworkDefinitionMOL’: 2023-09-08T17:55:31,780 src/framework.c:3050:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2023-09-08T17:55:31,780 3050 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.mol",CurrentSystem,CurrentFramework,string,FileNameAppend); 2023-09-08T17:55:31,781 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T17:55:31,783 src/framework.c:3050:9: note: ‘sprintf’ output 33 or more bytes (assuming 288) into a destination of size 256 2023-09-08T17:55:31,784 3050 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.mol",CurrentSystem,CurrentFramework,string,FileNameAppend); 2023-09-08T17:55:31,784 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:55:31,917 src/framework.c: In function ‘WriteFrameworkDefinitionCSSR’: 2023-09-08T17:55:31,922 src/framework.c:3463:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2023-09-08T17:55:31,923 3463 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.cssr",CurrentSystem,CurrentFramework,string,FileNameAppend); 2023-09-08T17:55:31,923 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T17:55:31,926 src/framework.c:3463:9: note: ‘sprintf’ output 34 or more bytes (assuming 289) into a destination of size 256 2023-09-08T17:55:31,926 3463 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.cssr",CurrentSystem,CurrentFramework,string,FileNameAppend); 2023-09-08T17:55:31,927 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:55:31,930 src/framework.c:3530:37: warning: ‘%-6s’ directive output may be truncated writing between 6 and 31 bytes into a region of size 10 [-Wformat-truncation=] 2023-09-08T17:55:31,930 3530 | snprintf(AtomName,10,"%-6s",PseudoAtoms[Framework[CurrentSystem].AtomsAsymmetric[CurrentFramework][j].Type].PrintToPDBName); 2023-09-08T17:55:31,931 | ^~~~ 2023-09-08T17:55:31,933 src/framework.c:3530:15: note: ‘snprintf’ output between 7 and 32 bytes into a destination of size 10 2023-09-08T17:55:31,934 3530 | snprintf(AtomName,10,"%-6s",PseudoAtoms[Framework[CurrentSystem].AtomsAsymmetric[CurrentFramework][j].Type].PrintToPDBName); 2023-09-08T17:55:31,935 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:55:31,938 src/framework.c:3502:37: warning: ‘%-6s’ directive output may be truncated writing between 6 and 31 bytes into a region of size 10 [-Wformat-truncation=] 2023-09-08T17:55:31,938 3502 | snprintf(AtomName,10,"%-6s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2023-09-08T17:55:31,938 | ^~~~ 2023-09-08T17:55:31,941 src/framework.c:3502:15: note: ‘snprintf’ output between 7 and 32 bytes into a destination of size 10 2023-09-08T17:55:31,942 3502 | snprintf(AtomName,10,"%-6s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2023-09-08T17:55:31,942 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:55:32,122 src/framework.c: In function ‘WriteFrameworkDefinitionPDB’: 2023-09-08T17:55:32,127 src/framework.c:3596:52: warning: ‘%s’ directive writing up to 255 bytes into a region of size 230 [-Wformat-overflow=] 2023-09-08T17:55:32,128 3596 | sprintf(buffer,"Movies/System_%d/Framework_%s%s.pdb",CurrentSystem,string,FileNameAppend); 2023-09-08T17:55:32,128 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T17:55:32,131 src/framework.c:3596:7: note: ‘sprintf’ output 31 or more bytes (assuming 286) into a destination of size 256 2023-09-08T17:55:32,131 3596 | sprintf(buffer,"Movies/System_%d/Framework_%s%s.pdb",CurrentSystem,string,FileNameAppend); 2023-09-08T17:55:32,132 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:55:32,136 src/framework.c:3603:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 218 and 228 [-Wformat-overflow=] 2023-09-08T17:55:32,137 3603 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.pdb",CurrentSystem,CurrentFramework,string,FileNameAppend); 2023-09-08T17:55:32,137 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T17:55:32,140 src/framework.c:3603:9: note: ‘sprintf’ output 33 or more bytes (assuming 298) into a destination of size 256 2023-09-08T17:55:32,141 3603 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.pdb",CurrentSystem,CurrentFramework,string,FileNameAppend); 2023-09-08T17:55:32,141 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:55:32,144 src/framework.c:3617:35: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 10 [-Wformat-truncation=] 2023-09-08T17:55:32,144 3617 | snprintf(AtomName,10,"%2s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2023-09-08T17:55:32,145 | ^~~ 2023-09-08T17:55:32,148 src/framework.c:3617:13: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 10 2023-09-08T17:55:32,148 3617 | snprintf(AtomName,10,"%2s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2023-09-08T17:55:32,149 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:55:32,151 src/framework.c:3618:34: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 10 [-Wformat-truncation=] 2023-09-08T17:55:32,152 3618 | snprintf(Element,10,"%2s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2023-09-08T17:55:32,153 | ^~~ 2023-09-08T17:55:32,155 src/framework.c:3618:13: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 10 2023-09-08T17:55:32,156 3618 | snprintf(Element,10,"%2s",PseudoAtoms[Framework[CurrentSystem].Atoms[CurrentFramework][j].Type].PrintToPDBName); 2023-09-08T17:55:32,156 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:55:32,359 src/framework.c: In function ‘WriteFrameworkDefinitionGulp’: 2023-09-08T17:55:32,364 src/framework.c:3672:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2023-09-08T17:55:32,365 3672 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.gulp",CurrentSystem,CurrentFramework,string,FileNameAppend); 2023-09-08T17:55:32,365 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T17:55:32,368 src/framework.c:3672:9: note: ‘sprintf’ output 34 or more bytes (assuming 289) into a destination of size 256 2023-09-08T17:55:32,369 3672 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.gulp",CurrentSystem,CurrentFramework,string,FileNameAppend); 2023-09-08T17:55:32,369 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:55:32,649 src/framework.c: In function ‘WriteFrameworkDefinitionVASP’: 2023-09-08T17:55:32,655 src/framework.c:3808:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2023-09-08T17:55:32,655 3808 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.vasp",CurrentSystem,CurrentFramework,string,FileNameAppend); 2023-09-08T17:55:32,656 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T17:55:32,659 src/framework.c:3808:9: note: ‘sprintf’ output 34 or more bytes (assuming 289) into a destination of size 256 2023-09-08T17:55:32,660 3808 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.vasp",CurrentSystem,CurrentFramework,string,FileNameAppend); 2023-09-08T17:55:32,661 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:55:32,814 src/framework.c: In function ‘WriteFrameworkDefinitionTinker’: 2023-09-08T17:55:32,827 src/framework.c:3915:57: warning: ‘%s’ directive writing up to 255 bytes into a region of size 228 [-Wformat-overflow=] 2023-09-08T17:55:32,828 3915 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.txyz",CurrentSystem,CurrentFramework,string,FileNameAppend); 2023-09-08T17:55:32,829 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T17:55:32,829 src/framework.c:3915:9: note: ‘sprintf’ output 34 or more bytes (assuming 289) into a destination of size 256 2023-09-08T17:55:32,830 3915 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s%s.txyz",CurrentSystem,CurrentFramework,string,FileNameAppend); 2023-09-08T17:55:32,830 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:55:32,831 src/framework.c:3925:31: warning: ‘%3s’ directive writing between 3 and 31 bytes into a region of size 10 [-Wformat-overflow=] 2023-09-08T17:55:32,831 3925 | sprintf(AtomName,"%3s",PseudoAtoms[Type].PrintToPDBName); 2023-09-08T17:55:32,832 | ^~~ 2023-09-08T17:55:32,833 src/framework.c:3925:13: note: ‘sprintf’ output between 4 and 32 bytes into a destination of size 10 2023-09-08T17:55:32,833 3925 | sprintf(AtomName,"%3s",PseudoAtoms[Type].PrintToPDBName); 2023-09-08T17:55:32,834 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:55:33,826 src/framework.c: In function ‘ReadIonSitingDefinition’: 2023-09-08T17:55:33,833 src/framework.c:4848:22: warning: ‘%s’ directive writing 4 bytes into a region of size between 0 and 255 [-Wformat-overflow=] 2023-09-08T17:55:33,833 4848 | sprintf(buffer,"%s.%s",Framework[CurrentSystem].NameIons,"ions"); 2023-09-08T17:55:33,834 | ^~ ~~~~~~ 2023-09-08T17:55:33,837 src/framework.c:4848:3: note: ‘sprintf’ output between 6 and 261 bytes into a destination of size 256 2023-09-08T17:55:33,838 4848 | sprintf(buffer,"%s.%s",Framework[CurrentSystem].NameIons,"ions"); 2023-09-08T17:55:33,838 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:55:33,842 src/framework.c:4851:52: warning: ‘%s’ directive writing up to 255 bytes into a region of size 227 [-Wformat-overflow=] 2023-09-08T17:55:33,843 4851 | sprintf(buffer,"%s/share/raspa/structures/ions/%s.%s", 2023-09-08T17:55:33,843 | ^~ 2023-09-08T17:55:33,847 src/framework.c:4851:5: note: ‘sprintf’ output 35 or more bytes (assuming 290) into a destination of size 256 2023-09-08T17:55:33,847 4851 | sprintf(buffer,"%s/share/raspa/structures/ions/%s.%s", 2023-09-08T17:55:33,848 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:55:33,848 4852 | RASPA_DIRECTORY, 2023-09-08T17:55:33,849 | ~~~~~~~~~~~~~~~~ 2023-09-08T17:55:33,850 4853 | Framework[CurrentSystem].NameIons, 2023-09-08T17:55:33,850 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:55:33,851 4854 | "ions"); 2023-09-08T17:55:33,852 | ~~~~~~~ 2023-09-08T17:55:41,052 src/framework.c: In function ‘WriteFrameworkDefinitionCIF.part.0’: 2023-09-08T17:55:41,055 src/framework.c:2102:69: warning: ‘%s’ directive writing up to 255 bytes into a region of size 217 [-Wformat-overflow=] 2023-09-08T17:55:41,056 2102 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d_VASP%s.cif", 2023-09-08T17:55:41,056 | ^~ 2023-09-08T17:55:41,057 ...... 2023-09-08T17:55:41,058 2105 | FileNameAppend); 2023-09-08T17:55:41,058 | ~~~~~~~~~~~~~~ 2023-09-08T17:55:41,059 src/framework.c:2102:7: note: ‘sprintf’ output 44 or more bytes (assuming 299) into a destination of size 256 2023-09-08T17:55:41,060 2102 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d_VASP%s.cif", 2023-09-08T17:55:41,060 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:55:41,061 2103 | CurrentSystem,CurrentFramework,string, 2023-09-08T17:55:41,062 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:55:41,062 2104 | NumberOfUnitCells[CurrentSystem].x,NumberOfUnitCells[CurrentSystem].y,NumberOfUnitCells[CurrentSystem].z, 2023-09-08T17:55:41,063 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:55:41,063 2105 | FileNameAppend); 2023-09-08T17:55:41,064 | ~~~~~~~~~~~~~~~ 2023-09-08T17:55:41,065 src/framework.c:2329:67: warning: ‘%s’ directive writing up to 255 bytes into a region of size 219 [-Wformat-overflow=] 2023-09-08T17:55:41,065 2329 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d_P1%s.cif", 2023-09-08T17:55:41,066 | ^~ 2023-09-08T17:55:41,066 ...... 2023-09-08T17:55:41,067 2332 | FileNameAppend); 2023-09-08T17:55:41,068 | ~~~~~~~~~~~~~~ 2023-09-08T17:55:41,068 src/framework.c:2329:7: note: ‘sprintf’ output 42 or more bytes (assuming 297) into a destination of size 256 2023-09-08T17:55:41,069 2329 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d_P1%s.cif", 2023-09-08T17:55:41,070 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:55:41,070 2330 | CurrentSystem,CurrentFramework,string, 2023-09-08T17:55:41,071 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:55:41,071 2331 | NumberOfUnitCells[CurrentSystem].x,NumberOfUnitCells[CurrentSystem].y,NumberOfUnitCells[CurrentSystem].z, 2023-09-08T17:55:41,072 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:55:41,072 2332 | FileNameAppend); 2023-09-08T17:55:41,073 | ~~~~~~~~~~~~~~~ 2023-09-08T17:55:41,073 src/framework.c:2548:66: warning: ‘%s’ directive writing up to 255 bytes into a region of size 222 [-Wformat-overflow=] 2023-09-08T17:55:41,074 2548 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d%s.cif", 2023-09-08T17:55:41,075 | ^~ 2023-09-08T17:55:41,075 2549 | CurrentSystem,CurrentFramework,string,1,1,1,FileNameAppend); 2023-09-08T17:55:41,076 | ~~~~~~~~~~~~~~ 2023-09-08T17:55:41,076 src/framework.c:2548:9: note: ‘sprintf’ output 39 or more bytes (assuming 294) into a destination of size 256 2023-09-08T17:55:41,077 2548 | sprintf(buffer,"Movies/System_%d/Framework_%d_%s_%d_%d_%d%s.cif", 2023-09-08T17:55:41,078 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:55:41,078 2549 | CurrentSystem,CurrentFramework,string,1,1,1,FileNameAppend); 2023-09-08T17:55:41,079 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T17:55:43,879 src/framework.c: In function ‘AddBondTypeToDefinitions’: 2023-09-08T17:55:43,885 src/framework.c:6620:18: warning: ‘NumberOfArguments’ may be used uninitialized [-Wmaybe-uninitialized] 2023-09-08T17:55:43,886 6620 | for(j=0;j= num_terms) 2023-09-08T18:01:58,890 | ^~ 2023-09-08T18:01:58,892 src/matrix.c:2286:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2023-09-08T18:01:58,893 2286 | for( i = 0; i < mp; ++i ) 2023-09-08T18:01:58,893 | ^ 2023-09-08T18:01:58,894 src/matrix.c:2290:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2023-09-08T18:01:58,894 2290 | for( j = 0; j < np; ++j ) 2023-09-08T18:01:58,895 | ^ 2023-09-08T18:01:58,896 src/matrix.c:2295:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2023-09-08T18:01:58,896 2295 | for( i = 0; i < np; ++i ) 2023-09-08T18:01:58,897 | ^ 2023-09-08T18:01:58,898 src/matrix.c:2299:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2023-09-08T18:01:58,898 2299 | for( j = 0; j < np; ++j ) 2023-09-08T18:01:58,899 | ^ 2023-09-08T18:01:58,900 src/matrix.c:2304:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2023-09-08T18:01:58,900 2304 | for( i = 0; i < np; ++i ) 2023-09-08T18:01:58,900 | ^ 2023-09-08T18:01:58,901 src/matrix.c:2309:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2023-09-08T18:01:58,901 2309 | for( i = 0; i < np; ++i ) 2023-09-08T18:01:58,902 | ^ 2023-09-08T18:01:58,902 src/matrix.c:2312:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 2023-09-08T18:01:58,903 2312 | for( j = 0; j < np; ++j ) 2023-09-08T18:01:58,903 | ^ 2023-09-08T18:01:58,905 src/matrix.c:2257:13: warning: variable ‘vm’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:01:58,906 2257 | double *vm = NULL; 2023-09-08T18:01:58,907 | ^~ 2023-09-08T18:02:03,221 src/matrix.c: In function ‘svdcmp’: 2023-09-08T18:02:03,222 src/matrix.c:2147:37: warning: ‘NM’ may be used uninitialized [-Wmaybe-uninitialized] 2023-09-08T18:02:03,222 2147 | Y = A[j][NM]; 2023-09-08T18:02:03,223 | ^ 2023-09-08T18:02:03,223 src/matrix.c:1945:9: note: ‘NM’ was declared here 2023-09-08T18:02:03,224 1945 | int NM; 2023-09-08T18:02:03,224 | ^~ 2023-09-08T18:02:05,159 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/mc_moves.c -o build/temp.linux-armv7l-cpython-311/src/mc_moves.o 2023-09-08T18:02:05,705 src/mc_moves.c: In function ‘IdentityChangeAdsorbateMove’: 2023-09-08T18:02:05,711 src/mc_moves.c:6154:20: warning: unused variable ‘type’ [-Wunused-variable] 2023-09-08T18:02:05,712 6154 | int i,d,nr_atoms,type; 2023-09-08T18:02:05,713 | ^~~~ 2023-09-08T18:02:05,718 src/mc_moves.c:6154:11: warning: unused variable ‘nr_atoms’ [-Wunused-variable] 2023-09-08T18:02:05,718 6154 | int i,d,nr_atoms,type; 2023-09-08T18:02:05,719 | ^~~~~~~~ 2023-09-08T18:02:05,733 src/mc_moves.c: In function ‘IdentityChangeCationMove’: 2023-09-08T18:02:05,739 src/mc_moves.c:6455:20: warning: unused variable ‘type’ [-Wunused-variable] 2023-09-08T18:02:05,740 6455 | int i,d,nr_atoms,type; 2023-09-08T18:02:05,741 | ^~~~ 2023-09-08T18:02:05,746 src/mc_moves.c:6455:11: warning: unused variable ‘nr_atoms’ [-Wunused-variable] 2023-09-08T18:02:05,747 6455 | int i,d,nr_atoms,type; 2023-09-08T18:02:05,747 | ^~~~~~~~ 2023-09-08T18:02:05,851 src/mc_moves.c: In function ‘VolumeMove’: 2023-09-08T18:02:05,859 src/mc_moves.c:7932:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:02:05,860 7932 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2023-09-08T18:02:05,860 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:02:05,898 src/mc_moves.c: In function ‘BoxShapeChangeMove’: 2023-09-08T18:02:05,906 src/mc_moves.c:8443:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:02:05,907 8443 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2023-09-08T18:02:05,908 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:02:05,924 src/mc_moves.c: In function ‘ParallelTemperingMove’: 2023-09-08T18:02:05,934 src/mc_moves.c:9041:25: warning: variable ‘PartialFugacityB’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:02:05,934 9041 | REAL PartialFugacityA,PartialFugacityB; 2023-09-08T18:02:05,935 | ^~~~~~~~~~~~~~~~ 2023-09-08T18:02:05,943 src/mc_moves.c:9041:8: warning: variable ‘PartialFugacityA’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:02:05,944 9041 | REAL PartialFugacityA,PartialFugacityB; 2023-09-08T18:02:05,944 | ^~~~~~~~~~~~~~~~ 2023-09-08T18:02:06,001 src/mc_moves.c: In function ‘ChiralInversionMove’: 2023-09-08T18:02:06,012 src/mc_moves.c:9804:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:02:06,012 9804 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2023-09-08T18:02:06,013 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:02:06,384 src/mc_moves.c: In function ‘HybridNVEMove’: 2023-09-08T18:02:06,399 src/mc_moves.c:13405:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:02:06,399 13405 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2023-09-08T18:02:06,400 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:02:06,466 src/mc_moves.c: In function ‘HybridNPHMove’: 2023-09-08T18:02:06,482 src/mc_moves.c:13959:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:02:06,483 13959 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2023-09-08T18:02:06,484 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:02:06,558 src/mc_moves.c: In function ‘HybridNPHPRMove’: 2023-09-08T18:02:06,574 src/mc_moves.c:14504:32: warning: variable ‘UAdsorbatePolarizationStored’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:02:06,575 14504 | REAL UHostPolarizationStored,UAdsorbatePolarizationStored,UCationPolarizationStored; 2023-09-08T18:02:06,576 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:02:06,627 src/mc_moves.c: In function ‘CFWangLandauIteration’: 2023-09-08T18:02:06,644 src/mc_moves.c:15099:17: warning: variable ‘MostProbableIndex’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:02:06,645 15099 | int condition,MostProbableIndex; 2023-09-08T18:02:06,646 | ^~~~~~~~~~~~~~~~~ 2023-09-08T18:02:07,464 src/mc_moves.c: In function ‘CFGibbsParticleTransferAdsorbateMove’: 2023-09-08T18:02:07,488 src/mc_moves.c:18867:8: warning: variable ‘Rosen’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:02:07,489 18867 | REAL Rosen,RosenbluthNew,RosenbluthOld; 2023-09-08T18:02:07,490 | ^~~~~ 2023-09-08T18:02:07,768 src/mc_moves.c: In function ‘CFGibbsParticleTransferCationMove’: 2023-09-08T18:02:07,791 src/mc_moves.c:20381:8: warning: variable ‘PartialFugacity’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:02:07,792 20381 | REAL PartialFugacity,UTailDelta[2]; 2023-09-08T18:02:07,792 | ^~~~~~~~~~~~~~~ 2023-09-08T18:02:08,161 src/mc_moves.c: In function ‘CBCFGibbsParticleTransferAdsorbateMove’: 2023-09-08T18:02:08,186 src/mc_moves.c:21956:8: warning: variable ‘Rosen’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:02:08,186 21956 | REAL Rosen,RosenbluthNewA,RosenbluthOldA,RosenbluthNewB,RosenbluthOldB; 2023-09-08T18:02:08,187 | ^~~~~ 2023-09-08T18:02:08,558 src/mc_moves.c: In function ‘CBCFGibbsParticleTransferCationMove’: 2023-09-08T18:02:08,585 src/mc_moves.c:23779:8: warning: variable ‘Rosen’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:02:08,586 23779 | REAL Rosen,RosenbluthNewA,RosenbluthOldA,RosenbluthNewB,RosenbluthOldB; 2023-09-08T18:02:08,587 | ^~~~~ 2023-09-08T18:02:08,812 src/mc_moves.c: In function ‘CFCRXMCLambdaChangeMove’: 2023-09-08T18:02:08,838 src/mc_moves.c:26079:58: warning: implicit declaration of function ‘numberOfReactionMoleculesForComponent’ [-Wimplicit-function-declaration] 2023-09-08T18:02:08,839 26079 | N=Components[i].NumberOfMolecules[CurrentSystem]-numberOfReactionMoleculesForComponent(i); 2023-09-08T18:02:08,839 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:02:08,905 src/mc_moves.c: In function ‘CFRXMCWangLandauIteration’: 2023-09-08T18:02:08,935 src/mc_moves.c:26587:17: warning: variable ‘MostProbableIndex’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:02:08,936 26587 | int condition,MostProbableIndex; 2023-09-08T18:02:08,936 | ^~~~~~~~~~~~~~~~~ 2023-09-08T18:02:08,965 src/mc_moves.c:26586:7: warning: unused variable ‘FractionalMolecule’ [-Wunused-variable] 2023-09-08T18:02:08,966 26586 | int FractionalMolecule,index; 2023-09-08T18:02:08,967 | ^~~~~~~~~~~~~~~~~~ 2023-09-08T18:02:09,005 src/mc_moves.c: In function ‘PrintRXMCStatistics’: 2023-09-08T18:02:09,035 src/mc_moves.c:26708:9: warning: unused variable ‘j’ [-Wunused-variable] 2023-09-08T18:02:09,035 26708 | int i,j,k; 2023-09-08T18:02:09,036 | ^ 2023-09-08T18:02:09,069 src/mc_moves.c: In function ‘AllocateMCMovesMemory’: 2023-09-08T18:02:09,099 src/mc_moves.c:27007:11: warning: unused variable ‘k’ [-Wunused-variable] 2023-09-08T18:02:09,100 27007 | int i,j,k; 2023-09-08T18:02:09,101 | ^ 2023-09-08T18:02:47,744 src/mc_moves.c: In function ‘GibbsParticleTransferAdsorbateMove’: 2023-09-08T18:02:47,756 src/mc_moves.c:11315:37: warning: ‘NetChargeDeltaOld’ may be used uninitialized [-Wmaybe-uninitialized] 2023-09-08T18:02:47,757 11315 | NetChargeSystem[CurrentSystem]+=NetChargeDeltaOld; 2023-09-08T18:02:47,757 | ^~ 2023-09-08T18:02:47,767 src/mc_moves.c:10957:26: note: ‘NetChargeDeltaOld’ was declared here 2023-09-08T18:02:47,768 10957 | REAL NetChargeDeltaNew,NetChargeDeltaOld; 2023-09-08T18:02:47,769 | ^~~~~~~~~~~~~~~~~ 2023-09-08T18:02:47,778 src/mc_moves.c:11193:37: warning: ‘NetChargeDeltaNew’ may be used uninitialized [-Wmaybe-uninitialized] 2023-09-08T18:02:47,779 11193 | NetChargeSystem[CurrentSystem]+=NetChargeDeltaNew; 2023-09-08T18:02:47,779 | ^~ 2023-09-08T18:02:47,790 src/mc_moves.c:10957:8: note: ‘NetChargeDeltaNew’ was declared here 2023-09-08T18:02:47,791 10957 | REAL NetChargeDeltaNew,NetChargeDeltaOld; 2023-09-08T18:02:47,792 | ^~~~~~~~~~~~~~~~~ 2023-09-08T18:02:48,840 src/mc_moves.c: In function ‘GibbsParticleTransferCationMove’: 2023-09-08T18:02:48,851 src/mc_moves.c:11708:37: warning: ‘NetChargeDeltaOld’ may be used uninitialized [-Wmaybe-uninitialized] 2023-09-08T18:02:48,852 11708 | NetChargeSystem[CurrentSystem]+=NetChargeDeltaOld; 2023-09-08T18:02:48,852 | ^~ 2023-09-08T18:02:48,863 src/mc_moves.c:11355:26: note: ‘NetChargeDeltaOld’ was declared here 2023-09-08T18:02:48,863 11355 | REAL NetChargeDeltaNew,NetChargeDeltaOld; 2023-09-08T18:02:48,864 | ^~~~~~~~~~~~~~~~~ 2023-09-08T18:02:48,874 src/mc_moves.c:11586:37: warning: ‘NetChargeDeltaNew’ may be used uninitialized [-Wmaybe-uninitialized] 2023-09-08T18:02:48,874 11586 | NetChargeSystem[CurrentSystem]+=NetChargeDeltaNew; 2023-09-08T18:02:48,875 | ^~ 2023-09-08T18:02:48,886 src/mc_moves.c:11355:8: note: ‘NetChargeDeltaNew’ was declared here 2023-09-08T18:02:48,886 11355 | REAL NetChargeDeltaNew,NetChargeDeltaOld; 2023-09-08T18:02:48,887 | ^~~~~~~~~~~~~~~~~ 2023-09-08T18:03:00,782 src/mc_moves.c: In function ‘CFSwapLambaAdsorbateMove’: 2023-09-08T18:03:00,798 src/mc_moves.c:15841:111: warning: ‘UAdsorbateIntraBondDipoleBondDipoleFirstStep’ may be used uninitialized [-Wmaybe-uninitialized] 2023-09-08T18:03:00,799 15841 | UTotal[CurrentSystem]-=UAdsorbateIntraChargeChargeFirstStep+UAdsorbateIntraChargeBondDipoleFirstStep+UAdsorbateIntraBondDipoleBondDipoleFirstStep; 2023-09-08T18:03:00,799 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:03:00,814 src/mc_moves.c:15220:86: note: ‘UAdsorbateIntraBondDipoleBondDipoleFirstStep’ was declared here 2023-09-08T18:03:00,815 15220 | REAL UAdsorbateIntraChargeChargeFirstStep,UAdsorbateIntraChargeBondDipoleFirstStep,UAdsorbateIntraBondDipoleBondDipoleFirstStep; 2023-09-08T18:03:00,815 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:03:00,829 src/mc_moves.c:15841:70: warning: ‘UAdsorbateIntraChargeBondDipoleFirstStep’ may be used uninitialized [-Wmaybe-uninitialized] 2023-09-08T18:03:00,830 15841 | UTotal[CurrentSystem]-=UAdsorbateIntraChargeChargeFirstStep+UAdsorbateIntraChargeBondDipoleFirstStep+UAdsorbateIntraBondDipoleBondDipoleFirstStep; 2023-09-08T18:03:00,830 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:03:00,845 src/mc_moves.c:15220:45: note: ‘UAdsorbateIntraChargeBondDipoleFirstStep’ was declared here 2023-09-08T18:03:00,846 15220 | REAL UAdsorbateIntraChargeChargeFirstStep,UAdsorbateIntraChargeBondDipoleFirstStep,UAdsorbateIntraBondDipoleBondDipoleFirstStep; 2023-09-08T18:03:00,847 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:03:00,861 src/mc_moves.c:15841:70: warning: ‘UAdsorbateIntraChargeChargeFirstStep’ may be used uninitialized [-Wmaybe-uninitialized] 2023-09-08T18:03:00,861 15841 | UTotal[CurrentSystem]-=UAdsorbateIntraChargeChargeFirstStep+UAdsorbateIntraChargeBondDipoleFirstStep+UAdsorbateIntraBondDipoleBondDipoleFirstStep; 2023-09-08T18:03:00,862 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:03:00,877 src/mc_moves.c:15220:8: note: ‘UAdsorbateIntraChargeChargeFirstStep’ was declared here 2023-09-08T18:03:00,878 15220 | REAL UAdsorbateIntraChargeChargeFirstStep,UAdsorbateIntraChargeBondDipoleFirstStep,UAdsorbateIntraBondDipoleBondDipoleFirstStep; 2023-09-08T18:03:00,878 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:03:00,892 src/mc_moves.c:15788:39: warning: ‘UTailDelta’ may be used uninitialized [-Wmaybe-uninitialized] 2023-09-08T18:03:00,893 15788 | UTailCorrection[CurrentSystem]+=UTailDelta; 2023-09-08T18:03:00,893 | ^~ 2023-09-08T18:03:00,908 src/mc_moves.c:15222:60: note: ‘UTailDelta’ was declared here 2023-09-08T18:03:00,909 15222 | REAL PartialFugacity,LambdaNew,LambdaOld,BiasNew,BiasOld,UTailDelta; 2023-09-08T18:03:00,910 | ^~~~~~~~~~ 2023-09-08T18:03:02,330 src/mc_moves.c: In function ‘CFSwapLambaCationMove’: 2023-09-08T18:03:02,346 src/mc_moves.c:16601:105: warning: ‘UCationIntraBondDipoleBondDipoleFirstStep’ may be used uninitialized [-Wmaybe-uninitialized] 2023-09-08T18:03:02,347 16601 | UTotal[CurrentSystem]-=UCationIntraChargeChargeFirstStep+UCationIntraChargeBondDipoleFirstStep+UCationIntraBondDipoleBondDipoleFirstStep; 2023-09-08T18:03:02,347 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:03:02,363 src/mc_moves.c:15988:80: note: ‘UCationIntraBondDipoleBondDipoleFirstStep’ was declared here 2023-09-08T18:03:02,364 15988 | REAL UCationIntraChargeChargeFirstStep,UCationIntraChargeBondDipoleFirstStep,UCationIntraBondDipoleBondDipoleFirstStep; 2023-09-08T18:03:02,364 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:03:02,379 src/mc_moves.c:16601:67: warning: ‘UCationIntraChargeBondDipoleFirstStep’ may be used uninitialized [-Wmaybe-uninitialized] 2023-09-08T18:03:02,380 16601 | UTotal[CurrentSystem]-=UCationIntraChargeChargeFirstStep+UCationIntraChargeBondDipoleFirstStep+UCationIntraBondDipoleBondDipoleFirstStep; 2023-09-08T18:03:02,380 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:03:02,396 src/mc_moves.c:15988:42: note: ‘UCationIntraChargeBondDipoleFirstStep’ was declared here 2023-09-08T18:03:02,397 15988 | REAL UCationIntraChargeChargeFirstStep,UCationIntraChargeBondDipoleFirstStep,UCationIntraBondDipoleBondDipoleFirstStep; 2023-09-08T18:03:02,397 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:03:02,412 src/mc_moves.c:16601:67: warning: ‘UCationIntraChargeChargeFirstStep’ may be used uninitialized [-Wmaybe-uninitialized] 2023-09-08T18:03:02,413 16601 | UTotal[CurrentSystem]-=UCationIntraChargeChargeFirstStep+UCationIntraChargeBondDipoleFirstStep+UCationIntraBondDipoleBondDipoleFirstStep; 2023-09-08T18:03:02,413 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:03:02,429 src/mc_moves.c:15988:8: note: ‘UCationIntraChargeChargeFirstStep’ was declared here 2023-09-08T18:03:02,430 15988 | REAL UCationIntraChargeChargeFirstStep,UCationIntraChargeBondDipoleFirstStep,UCationIntraBondDipoleBondDipoleFirstStep; 2023-09-08T18:03:02,430 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:03:02,445 src/mc_moves.c:16548:39: warning: ‘UTailDelta’ may be used uninitialized [-Wmaybe-uninitialized] 2023-09-08T18:03:02,446 16548 | UTailCorrection[CurrentSystem]+=UTailDelta; 2023-09-08T18:03:02,446 | ^~ 2023-09-08T18:03:02,462 src/mc_moves.c:15990:60: note: ‘UTailDelta’ was declared here 2023-09-08T18:03:02,463 15990 | REAL PartialFugacity,LambdaNew,LambdaOld,BiasNew,BiasOld,UTailDelta; 2023-09-08T18:03:02,464 | ^~~~~~~~~~ 2023-09-08T18:03:33,425 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/minimization.c -o build/temp.linux-armv7l-cpython-311/src/minimization.o 2023-09-08T18:03:33,719 src/minimization.c: In function ‘ConvertHessianFromCartesianToFractional’: 2023-09-08T18:03:33,722 src/minimization.c:2981:16: warning: unused variable ‘TypeMolB’ [-Wunused-variable] 2023-09-08T18:03:33,723 2981 | int TypeMolA,TypeMolB; 2023-09-08T18:03:33,723 | ^~~~~~~~ 2023-09-08T18:03:33,726 src/minimization.c:2981:7: warning: unused variable ‘TypeMolA’ [-Wunused-variable] 2023-09-08T18:03:33,726 2981 | int TypeMolA,TypeMolB; 2023-09-08T18:03:33,727 | ^~~~~~~~ 2023-09-08T18:03:33,729 src/minimization.c:2980:23: warning: unused variable ‘tempBox’ [-Wunused-variable] 2023-09-08T18:03:33,730 2980 | REAL_MATRIX3x3 H,fH,tempBox; 2023-09-08T18:03:33,730 | ^~~~~~~ 2023-09-08T18:03:33,732 src/minimization.c:2980:20: warning: unused variable ‘fH’ [-Wunused-variable] 2023-09-08T18:03:33,733 2980 | REAL_MATRIX3x3 H,fH,tempBox; 2023-09-08T18:03:33,734 | ^~ 2023-09-08T18:03:33,736 src/minimization.c:2980:18: warning: unused variable ‘H’ [-Wunused-variable] 2023-09-08T18:03:33,737 2980 | REAL_MATRIX3x3 H,fH,tempBox; 2023-09-08T18:03:33,737 | ^ 2023-09-08T18:03:33,739 src/minimization.c:2979:15: warning: unused variable ‘fgrad’ [-Wunused-variable] 2023-09-08T18:03:33,740 2979 | VECTOR grad,fgrad; 2023-09-08T18:03:33,740 | ^~~~~ 2023-09-08T18:03:33,743 src/minimization.c:2979:10: warning: unused variable ‘grad’ [-Wunused-variable] 2023-09-08T18:03:33,743 2979 | VECTOR grad,fgrad; 2023-09-08T18:03:33,744 | ^~~~ 2023-09-08T18:03:33,746 src/minimization.c:2978:13: warning: unused variable ‘Type’ [-Wunused-variable] 2023-09-08T18:03:33,746 2978 | int m,l,A,Type; 2023-09-08T18:03:33,747 | ^~~~ 2023-09-08T18:03:33,749 src/minimization.c:2978:11: warning: unused variable ‘A’ [-Wunused-variable] 2023-09-08T18:03:33,750 2978 | int m,l,A,Type; 2023-09-08T18:03:33,750 | ^ 2023-09-08T18:03:33,752 src/minimization.c:2978:9: warning: unused variable ‘l’ [-Wunused-variable] 2023-09-08T18:03:33,753 2978 | int m,l,A,Type; 2023-09-08T18:03:33,753 | ^ 2023-09-08T18:03:33,755 src/minimization.c:2978:7: warning: unused variable ‘m’ [-Wunused-variable] 2023-09-08T18:03:33,756 2978 | int m,l,A,Type; 2023-09-08T18:03:33,756 | ^ 2023-09-08T18:03:33,758 src/minimization.c:2977:31: warning: unused variable ‘index’ [-Wunused-variable] 2023-09-08T18:03:33,758 2977 | INT_VECTOR3 index_i,index_j,index; 2023-09-08T18:03:33,759 | ^~~~~ 2023-09-08T18:03:33,761 src/minimization.c:2977:23: warning: unused variable ‘index_j’ [-Wunused-variable] 2023-09-08T18:03:33,761 2977 | INT_VECTOR3 index_i,index_j,index; 2023-09-08T18:03:33,762 | ^~~~~~~ 2023-09-08T18:03:33,764 src/minimization.c:2977:15: warning: unused variable ‘index_i’ [-Wunused-variable] 2023-09-08T18:03:33,764 2977 | INT_VECTOR3 index_i,index_j,index; 2023-09-08T18:03:33,765 | ^~~~~~~ 2023-09-08T18:03:33,767 src/minimization.c:2976:10: warning: unused variable ‘f2’ [-Wunused-variable] 2023-09-08T18:03:33,767 2976 | int f1,f2; 2023-09-08T18:03:33,768 | ^~ 2023-09-08T18:03:33,769 src/minimization.c:2976:7: warning: unused variable ‘f1’ [-Wunused-variable] 2023-09-08T18:03:33,770 2976 | int f1,f2; 2023-09-08T18:03:33,771 | ^~ 2023-09-08T18:03:33,772 src/minimization.c:2975:25: warning: unused variable ‘j’ [-Wunused-variable] 2023-09-08T18:03:33,773 2975 | int I,J,ig,jg,ia,ja,i,j; 2023-09-08T18:03:33,773 | ^ 2023-09-08T18:03:33,775 src/minimization.c:2975:23: warning: unused variable ‘i’ [-Wunused-variable] 2023-09-08T18:03:33,776 2975 | int I,J,ig,jg,ia,ja,i,j; 2023-09-08T18:03:33,776 | ^ 2023-09-08T18:03:33,778 src/minimization.c:2975:20: warning: unused variable ‘ja’ [-Wunused-variable] 2023-09-08T18:03:33,778 2975 | int I,J,ig,jg,ia,ja,i,j; 2023-09-08T18:03:33,779 | ^~ 2023-09-08T18:03:33,781 src/minimization.c:2975:17: warning: unused variable ‘ia’ [-Wunused-variable] 2023-09-08T18:03:33,781 2975 | int I,J,ig,jg,ia,ja,i,j; 2023-09-08T18:03:33,782 | ^~ 2023-09-08T18:03:33,784 src/minimization.c:2975:14: warning: unused variable ‘jg’ [-Wunused-variable] 2023-09-08T18:03:33,784 2975 | int I,J,ig,jg,ia,ja,i,j; 2023-09-08T18:03:33,785 | ^~ 2023-09-08T18:03:33,786 src/minimization.c:2975:11: warning: unused variable ‘ig’ [-Wunused-variable] 2023-09-08T18:03:33,787 2975 | int I,J,ig,jg,ia,ja,i,j; 2023-09-08T18:03:33,788 | ^~ 2023-09-08T18:03:33,789 src/minimization.c:2975:9: warning: unused variable ‘J’ [-Wunused-variable] 2023-09-08T18:03:33,790 2975 | int I,J,ig,jg,ia,ja,i,j; 2023-09-08T18:03:33,791 | ^ 2023-09-08T18:03:33,793 src/minimization.c:2975:7: warning: unused variable ‘I’ [-Wunused-variable] 2023-09-08T18:03:33,793 2975 | int I,J,ig,jg,ia,ja,i,j; 2023-09-08T18:03:33,794 | ^ 2023-09-08T18:03:33,801 src/minimization.c: In function ‘CalculateBakerSaddlePointStepSize’: 2023-09-08T18:03:33,805 src/minimization.c:3704:30: warning: variable ‘Lambda2’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:03:33,805 3704 | REAL DXSIZE,Lambda,Lambda1,Lambda2; 2023-09-08T18:03:33,806 | ^~~~~~~ 2023-09-08T18:03:33,808 src/minimization.c:3704:22: warning: variable ‘Lambda1’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:03:33,809 3704 | REAL DXSIZE,Lambda,Lambda1,Lambda2; 2023-09-08T18:03:33,809 | ^~~~~~~ 2023-09-08T18:03:33,874 src/minimization.c: In function ‘BakerMinimization’: 2023-09-08T18:03:33,881 src/minimization.c:4129:8: warning: variable ‘StepSizePrevious’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:03:33,882 4129 | REAL StepSizePrevious,StepSize; 2023-09-08T18:03:33,883 | ^~~~~~~~~~~~~~~~ 2023-09-08T18:03:33,922 src/minimization.c: In function ‘NewtonRaphsonMinimization’: 2023-09-08T18:03:33,929 src/minimization.c:4554:8: warning: variable ‘StepSizePrevious’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:03:33,930 4554 | REAL StepSizePrevious,StepSize; 2023-09-08T18:03:33,930 | ^~~~~~~~~~~~~~~~ 2023-09-08T18:03:33,972 src/minimization.c: In function ‘ComputeElasticConstantsAfterMinimization’: 2023-09-08T18:03:33,977 src/minimization.c:4935:19: warning: variable ‘EigenValues’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:03:33,977 4935 | REAL *Gradient,*EigenValues; 2023-09-08T18:03:33,978 | ^~~~~~~~~~~ 2023-09-08T18:03:45,130 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/minimization_simulation.c -o build/temp.linux-armv7l-cpython-311/src/minimization_simulation.o 2023-09-08T18:03:45,321 src/minimization_simulation.c: In function ‘MinimalizationSimulation’: 2023-09-08T18:03:45,321 src/minimization_simulation.c:60:14: warning: variable ‘ReferenceEnergy’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:03:45,322 60 | REAL Drift,ReferenceEnergy,ran; 2023-09-08T18:03:45,323 | ^~~~~~~~~~~~~~~ 2023-09-08T18:03:45,324 src/minimization_simulation.c:60:8: warning: variable ‘Drift’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:03:45,326 60 | REAL Drift,ReferenceEnergy,ran; 2023-09-08T18:03:45,327 | ^~~~~ 2023-09-08T18:03:45,664 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/molecular_dynamics.c -o build/temp.linux-armv7l-cpython-311/src/molecular_dynamics.o 2023-09-08T18:03:46,500 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/molecule.c -o build/temp.linux-armv7l-cpython-311/src/molecule.o 2023-09-08T18:03:46,787 src/molecule.c: In function ‘ReadComponentDefinition’: 2023-09-08T18:03:46,788 src/molecule.c:1030:7: warning: variable ‘atom_nr’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:03:46,789 1030 | int atom_nr; 2023-09-08T18:03:46,789 | ^~~~~~~ 2023-09-08T18:03:49,780 src/molecule.c: In function ‘ReadPseudoAtomsDefinitions’: 2023-09-08T18:03:49,781 src/molecule.c:515:47: warning: ‘%s’ directive writing up to 255 bytes into a region of size 232 [-Wformat-overflow=] 2023-09-08T18:03:49,781 515 | sprintf(buffer,"%s/share/raspa/forcefield/%s/pseudo_atoms.def",RASPA_DIRECTORY,ForceField); 2023-09-08T18:03:49,782 | ^~ ~~~~~~~~~~ 2023-09-08T18:03:49,783 src/molecule.c:515:5: note: ‘sprintf’ output 42 or more bytes (assuming 297) into a destination of size 256 2023-09-08T18:03:49,784 515 | sprintf(buffer,"%s/share/raspa/forcefield/%s/pseudo_atoms.def",RASPA_DIRECTORY,ForceField); 2023-09-08T18:03:49,784 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:03:54,196 src/molecule.c: In function ‘ReadBiasingProfile’: 2023-09-08T18:03:54,202 src/molecule.c:5571:35: warning: ‘%s’ directive writing up to 255 bytes into a region of size 242 [-Wformat-overflow=] 2023-09-08T18:03:54,203 5571 | sprintf(buffer,"BiasingSpline_%s_%d.dat",Components[comp].Name,comp); 2023-09-08T18:03:54,203 | ^~ 2023-09-08T18:03:54,208 src/molecule.c:5571:5: note: ‘sprintf’ output between 21 and 286 bytes into a destination of size 256 2023-09-08T18:03:54,209 5571 | sprintf(buffer,"BiasingSpline_%s_%d.dat",Components[comp].Name,comp); 2023-09-08T18:03:54,209 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:03:55,203 src/molecule.c: In function ‘ReadComponentDefinition’: 2023-09-08T18:03:55,205 src/molecule.c:1047:21: warning: ‘.def’ directive writing 4 bytes into a region of size between 1 and 256 [-Wformat-overflow=] 2023-09-08T18:03:55,205 1047 | sprintf(buffer,"%s.def",Components[comp].Name); 2023-09-08T18:03:55,205 | ^~~~ 2023-09-08T18:03:55,206 src/molecule.c:1047:3: note: ‘sprintf’ output between 5 and 260 bytes into a destination of size 256 2023-09-08T18:03:55,207 1047 | sprintf(buffer,"%s.def",Components[comp].Name); 2023-09-08T18:03:55,207 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:03:55,208 src/molecule.c:1050:46: warning: ‘%s’ directive writing up to 255 bytes into a region of size 233 [-Wformat-overflow=] 2023-09-08T18:03:55,209 1050 | sprintf(buffer,"%s/share/raspa/molecules/%s/%s.%s", 2023-09-08T18:03:55,209 | ^~ 2023-09-08T18:03:55,210 src/molecule.c:1050:5: note: ‘sprintf’ output 29 or more bytes (assuming 539) into a destination of size 256 2023-09-08T18:03:55,211 1050 | sprintf(buffer,"%s/share/raspa/molecules/%s/%s.%s", 2023-09-08T18:03:55,211 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:03:55,212 1051 | RASPA_DIRECTORY, 2023-09-08T18:03:55,212 | ~~~~~~~~~~~~~~~~ 2023-09-08T18:03:55,213 1052 | Components[comp].MoleculeDefinition, 2023-09-08T18:03:55,214 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:03:55,215 1053 | Components[comp].Name, 2023-09-08T18:03:55,215 | ~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:03:55,216 1054 | "def"); 2023-09-08T18:03:55,216 | ~~~~~~ 2023-09-08T18:04:00,448 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/molecule_properties.c -o build/temp.linux-armv7l-cpython-311/src/molecule_properties.o 2023-09-08T18:04:01,298 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/monte_carlo.c -o build/temp.linux-armv7l-cpython-311/src/monte_carlo.o 2023-09-08T18:04:05,772 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/movies.c -o build/temp.linux-armv7l-cpython-311/src/movies.o 2023-09-08T18:04:05,991 src/movies.c: In function ‘WriteVTK’: 2023-09-08T18:04:05,992 src/movies.c:483:8: warning: unused variable ‘y’ [-Wunused-variable] 2023-09-08T18:04:05,993 483 | REAL y=0.5; 2023-09-08T18:04:05,994 | ^ 2023-09-08T18:04:05,994 src/movies.c:405:10: warning: variable ‘fac’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:04:05,995 405 | VECTOR fac,pos; 2023-09-08T18:04:05,996 | ^~~ 2023-09-08T18:04:06,006 src/movies.c: In function ‘SamplePDBMovies’: 2023-09-08T18:04:06,007 src/movies.c:1361:7: warning: variable ‘index’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:04:06,007 1361 | int index; 2023-09-08T18:04:06,008 | ^~~~~ 2023-09-08T18:04:06,026 src/movies.c: In function ‘FreeEnergyProfile3D’: 2023-09-08T18:04:06,027 src/movies.c:1875:18: warning: variable ‘InverseCell’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:04:06,028 1875 | REAL_MATRIX3x3 InverseCell; 2023-09-08T18:04:06,028 | ^~~~~~~~~~~ 2023-09-08T18:04:06,029 src/movies.c:1868:13: warning: variable ‘typeA’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:04:06,030 1868 | int x,y,z,typeA,index,temp,start; 2023-09-08T18:04:06,030 | ^~~~~ 2023-09-08T18:04:06,031 src/movies.c:1867:13: warning: unused variable ‘l’ [-Wunused-variable] 2023-09-08T18:04:06,031 1867 | int i,j,k,l; 2023-09-08T18:04:06,032 | ^ 2023-09-08T18:04:06,033 src/movies.c:1867:11: warning: unused variable ‘k’ [-Wunused-variable] 2023-09-08T18:04:06,033 1867 | int i,j,k,l; 2023-09-08T18:04:06,033 | ^ 2023-09-08T18:04:06,034 src/movies.c:1867:9: warning: unused variable ‘j’ [-Wunused-variable] 2023-09-08T18:04:06,035 1867 | int i,j,k,l; 2023-09-08T18:04:06,035 | ^ 2023-09-08T18:04:07,060 src/movies.c: In function ‘WriteVTK’: 2023-09-08T18:04:07,060 src/movies.c:474:38: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 228 and 238 [-Wformat-overflow=] 2023-09-08T18:04:07,061 474 | sprintf(buffer,"VTK/System_%d/Frame%s.vtk",system,FileNameAppend); 2023-09-08T18:04:07,062 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T18:04:07,062 src/movies.c:474:3: note: ‘sprintf’ output between 23 and 288 bytes into a destination of size 256 2023-09-08T18:04:07,062 474 | sprintf(buffer,"VTK/System_%d/Frame%s.vtk",system,FileNameAppend); 2023-09-08T18:04:07,063 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:04:07,064 src/movies.c:640:47: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 219 and 229 [-Wformat-overflow=] 2023-09-08T18:04:07,065 640 | sprintf(buffer,"VTK/System_%d/FrameworkAtoms%s.vtk",system,FileNameAppend); 2023-09-08T18:04:07,065 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T18:04:07,066 src/movies.c:640:3: note: ‘sprintf’ output between 32 and 297 bytes into a destination of size 256 2023-09-08T18:04:07,067 640 | sprintf(buffer,"VTK/System_%d/FrameworkAtoms%s.vtk",system,FileNameAppend); 2023-09-08T18:04:07,067 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:04:07,068 src/movies.c:772:47: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 219 and 229 [-Wformat-overflow=] 2023-09-08T18:04:07,068 772 | sprintf(buffer,"VTK/System_%d/FrameworkBonds%s.vtk",system,FileNameAppend); 2023-09-08T18:04:07,069 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T18:04:07,069 src/movies.c:772:3: note: ‘sprintf’ output between 32 and 297 bytes into a destination of size 256 2023-09-08T18:04:07,070 772 | sprintf(buffer,"VTK/System_%d/FrameworkBonds%s.vtk",system,FileNameAppend); 2023-09-08T18:04:07,071 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:04:07,071 src/movies.c:852:47: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 219 and 229 [-Wformat-overflow=] 2023-09-08T18:04:07,072 852 | sprintf(buffer,"VTK/System_%d/AdsorbateAtoms%s.vtk",system,FileNameAppend); 2023-09-08T18:04:07,073 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T18:04:07,073 src/movies.c:852:3: note: ‘sprintf’ output between 32 and 297 bytes into a destination of size 256 2023-09-08T18:04:07,074 852 | sprintf(buffer,"VTK/System_%d/AdsorbateAtoms%s.vtk",system,FileNameAppend); 2023-09-08T18:04:07,074 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:04:07,075 src/movies.c:1028:45: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 221 and 231 [-Wformat-overflow=] 2023-09-08T18:04:07,075 1028 | sprintf(buffer,"VTK/System_%d/CationsAtoms%s.vtk",system,FileNameAppend); 2023-09-08T18:04:07,076 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T18:04:07,076 src/movies.c:1028:3: note: ‘sprintf’ output between 30 and 295 bytes into a destination of size 256 2023-09-08T18:04:07,076 1028 | sprintf(buffer,"VTK/System_%d/CationsAtoms%s.vtk",system,FileNameAppend); 2023-09-08T18:04:07,077 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:04:07,077 src/movies.c:1245:46: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 217 and 237 [-Wformat-overflow=] 2023-09-08T18:04:07,078 1245 | sprintf(buffer,"VTK/System_%d/Grid_%d%s.vtk",system,l,FileNameAppend); 2023-09-08T18:04:07,078 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T18:04:07,079 src/movies.c:1245:9: note: ‘sprintf’ output between 24 and 299 bytes into a destination of size 256 2023-09-08T18:04:07,080 1245 | sprintf(buffer,"VTK/System_%d/Grid_%d%s.vtk",system,l,FileNameAppend); 2023-09-08T18:04:07,080 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:04:07,081 src/movies.c:1211:46: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 217 and 237 [-Wformat-overflow=] 2023-09-08T18:04:07,082 1211 | sprintf(buffer,"VTK/System_%d/Grid_%d%s.vtk",system,l,FileNameAppend); 2023-09-08T18:04:07,082 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T18:04:07,083 src/movies.c:1211:9: note: ‘sprintf’ output between 24 and 299 bytes into a destination of size 256 2023-09-08T18:04:07,083 1211 | sprintf(buffer,"VTK/System_%d/Grid_%d%s.vtk",system,l,FileNameAppend); 2023-09-08T18:04:07,084 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:04:08,649 src/movies.c: In function ‘WriteMolecule’: 2023-09-08T18:04:08,651 src/movies.c:1332:30: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 236 and 246 [-Wformat-overflow=] 2023-09-08T18:04:08,652 1332 | sprintf(buffer,"molecule_%d%s.vtk",count,FileNameAppend); 2023-09-08T18:04:08,652 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T18:04:08,653 src/movies.c:1332:3: note: ‘sprintf’ output between 15 and 280 bytes into a destination of size 256 2023-09-08T18:04:08,654 1332 | sprintf(buffer,"molecule_%d%s.vtk",count,FileNameAppend); 2023-09-08T18:04:08,655 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:04:08,823 src/movies.c: In function ‘SamplePDBMovies’: 2023-09-08T18:04:08,824 src/movies.c:1554:36: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 5 [-Wformat-truncation=] 2023-09-08T18:04:08,825 1554 | snprintf(AtomName,5,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2023-09-08T18:04:08,825 | ^~~ 2023-09-08T18:04:08,826 src/movies.c:1554:15: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 5 2023-09-08T18:04:08,827 1554 | snprintf(AtomName,5,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2023-09-08T18:04:08,827 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:04:08,828 src/movies.c:1555:35: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 3 [-Wformat-truncation=] 2023-09-08T18:04:08,828 1555 | snprintf(Element,3,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2023-09-08T18:04:08,829 | ^~~ 2023-09-08T18:04:08,829 src/movies.c:1555:15: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 3 2023-09-08T18:04:08,830 1555 | snprintf(Element,3,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2023-09-08T18:04:08,830 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:04:08,831 src/movies.c:1594:34: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 5 [-Wformat-truncation=] 2023-09-08T18:04:08,831 1594 | snprintf(AtomName,5,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2023-09-08T18:04:08,831 | ^~~ 2023-09-08T18:04:08,832 src/movies.c:1594:13: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 5 2023-09-08T18:04:08,833 1594 | snprintf(AtomName,5,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2023-09-08T18:04:08,833 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:04:08,833 src/movies.c:1595:33: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 3 [-Wformat-truncation=] 2023-09-08T18:04:08,834 1595 | snprintf(Element,3,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2023-09-08T18:04:08,834 | ^~~ 2023-09-08T18:04:08,835 src/movies.c:1595:13: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 3 2023-09-08T18:04:08,836 1595 | snprintf(Element,3,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2023-09-08T18:04:08,836 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:04:08,837 src/movies.c:1630:34: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 5 [-Wformat-truncation=] 2023-09-08T18:04:08,838 1630 | snprintf(AtomName,5,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2023-09-08T18:04:08,838 | ^~~ 2023-09-08T18:04:08,839 src/movies.c:1630:13: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 5 2023-09-08T18:04:08,839 1630 | snprintf(AtomName,5,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2023-09-08T18:04:08,840 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:04:08,841 src/movies.c:1631:33: warning: ‘%2s’ directive output may be truncated writing between 2 and 31 bytes into a region of size 3 [-Wformat-truncation=] 2023-09-08T18:04:08,841 1631 | snprintf(Element,3,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2023-09-08T18:04:08,841 | ^~~ 2023-09-08T18:04:08,842 src/movies.c:1631:13: note: ‘snprintf’ output between 3 and 32 bytes into a destination of size 3 2023-09-08T18:04:08,843 1631 | snprintf(Element,3,"%2s",PseudoAtoms[AtomType].PrintToPDBName); 2023-09-08T18:04:08,843 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:04:09,633 src/movies.c: In function ‘FreeEnergyProfile3D’: 2023-09-08T18:04:09,636 src/movies.c:1990:53: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 217 and 227 [-Wformat-overflow=] 2023-09-08T18:04:09,636 1990 | sprintf(buffer,"VTK/System_%d/FrameworkSurface%s.vtk",CurrentSystem,FileNameAppend); 2023-09-08T18:04:09,637 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T18:04:09,638 src/movies.c:1990:7: note: ‘sprintf’ output between 34 and 299 bytes into a destination of size 256 2023-09-08T18:04:09,638 1990 | sprintf(buffer,"VTK/System_%d/FrameworkSurface%s.vtk",CurrentSystem,FileNameAppend); 2023-09-08T18:04:09,639 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:04:10,096 src/movies.c: In function ‘WriteSnapshotTinker’: 2023-09-08T18:04:10,099 src/movies.c:2202:49: warning: ‘%s’ directive writing up to 255 bytes into a region of size 231 [-Wformat-overflow=] 2023-09-08T18:04:10,099 2202 | sprintf(buffer,"Tinker/System_%d/Snapshot_%s%s.txyz",CurrentSystem,string,FileNameAppend); 2023-09-08T18:04:10,100 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T18:04:10,101 src/movies.c:2202:5: note: ‘sprintf’ output 31 or more bytes (assuming 286) into a destination of size 256 2023-09-08T18:04:10,101 2202 | sprintf(buffer,"Tinker/System_%d/Snapshot_%s%s.txyz",CurrentSystem,string,FileNameAppend); 2023-09-08T18:04:10,102 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:04:10,103 src/movies.c:2223:31: warning: ‘%3s’ directive writing between 3 and 31 bytes into a region of size 10 [-Wformat-overflow=] 2023-09-08T18:04:10,103 2223 | sprintf(AtomName,"%3s",PseudoAtoms[Type].PrintToPDBName); 2023-09-08T18:04:10,104 | ^~~ 2023-09-08T18:04:10,105 src/movies.c:2223:13: note: ‘sprintf’ output between 4 and 32 bytes into a destination of size 10 2023-09-08T18:04:10,106 2223 | sprintf(AtomName,"%3s",PseudoAtoms[Type].PrintToPDBName); 2023-09-08T18:04:10,107 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:04:10,108 src/movies.c:2245:29: warning: ‘%3s’ directive writing between 3 and 31 bytes into a region of size 10 [-Wformat-overflow=] 2023-09-08T18:04:10,108 2245 | sprintf(AtomName,"%3s",PseudoAtoms[Adsorbates[CurrentSystem][i].Atoms[j].Type].PrintToPDBName); 2023-09-08T18:04:10,109 | ^~~ 2023-09-08T18:04:10,110 src/movies.c:2245:11: note: ‘sprintf’ output between 4 and 32 bytes into a destination of size 10 2023-09-08T18:04:10,111 2245 | sprintf(AtomName,"%3s",PseudoAtoms[Adsorbates[CurrentSystem][i].Atoms[j].Type].PrintToPDBName); 2023-09-08T18:04:10,111 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:04:10,113 src/movies.c:2259:43: warning: ‘%s’ directive writing up to 255 bytes into a region of size between 225 and 235 [-Wformat-overflow=] 2023-09-08T18:04:10,114 2259 | sprintf(buffer,"Tinker/System_%d/RASPA%s.key",CurrentSystem,FileNameAppend); 2023-09-08T18:04:10,115 | ^~ ~~~~~~~~~~~~~~ 2023-09-08T18:04:10,116 src/movies.c:2259:5: note: ‘sprintf’ output between 26 and 291 bytes into a destination of size 256 2023-09-08T18:04:10,116 2259 | sprintf(buffer,"Tinker/System_%d/RASPA%s.key",CurrentSystem,FileNameAppend); 2023-09-08T18:04:10,117 | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:04:10,614 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/numerical.c -o build/temp.linux-armv7l-cpython-311/src/numerical.o 2023-09-08T18:04:10,826 src/numerical.c: In function ‘ComputeGradientsNumerically’: 2023-09-08T18:04:10,827 src/numerical.c:411:8: warning: variable ‘EnergyCentral’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:04:10,828 411 | REAL EnergyCentral,EnergyForward1,EnergyForward2,EnergyBackward1,EnergyBackward2; 2023-09-08T18:04:10,829 | ^~~~~~~~~~~~~ 2023-09-08T18:04:10,829 src/numerical.c:410:14: warning: variable ‘force’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:04:10,830 410 | VECTOR pos,force,derivative; 2023-09-08T18:04:10,830 | ^~~~~ 2023-09-08T18:04:10,831 src/numerical.c:409:7: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:04:10,831 409 | int type; 2023-09-08T18:04:10,832 | ^~~~ 2023-09-08T18:04:10,931 src/numerical.c: In function ‘ComputeStrainDerivativeNumerically’: 2023-09-08T18:04:10,932 src/numerical.c:1863:8: warning: variable ‘EnergyCentral’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:04:10,933 1863 | REAL EnergyCentral,EnergyForward1,EnergyForward2,EnergyBackward1,EnergyBackward2,det; 2023-09-08T18:04:10,933 | ^~~~~~~~~~~~~ 2023-09-08T18:04:11,004 src/numerical.c: In function ‘ComputeStrainSecondDerivativeNumerically’: 2023-09-08T18:04:11,008 src/numerical.c:2897:18: warning: variable ‘StrainDerivativeCentral’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:04:11,008 2897 | REAL_MATRIX3x3 StrainDerivativeCentral,StrainDerivativeForward1,StrainDerivativeForward2; 2023-09-08T18:04:11,009 | ^~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:04:11,034 src/numerical.c: In function ‘TestEnergyForcesHessian’: 2023-09-08T18:04:11,040 src/numerical.c:3965:14: warning: variable ‘vel’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:04:11,041 3965 | VECTOR pos,vel,force; 2023-09-08T18:04:11,041 | ^~~ 2023-09-08T18:04:11,046 src/numerical.c:3964:15: warning: variable ‘AtomType’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:04:11,046 3964 | int MolType,AtomType; 2023-09-08T18:04:11,047 | ^~~~~~~~ 2023-09-08T18:04:11,058 src/numerical.c: In function ‘TestElectricField2’: 2023-09-08T18:04:11,063 src/numerical.c:4059:8: warning: variable ‘EnergyCentral’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:04:11,063 4059 | REAL EnergyCentral,EnergyForward2,EnergyForward1,EnergyBackward1,EnergyBackward2; 2023-09-08T18:04:11,064 | ^~~~~~~~~~~~~ 2023-09-08T18:04:11,091 src/numerical.c: In function ‘ComputeCrossTermNumerically’: 2023-09-08T18:04:11,096 src/numerical.c:4455:7: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:04:11,097 4455 | int type; 2023-09-08T18:04:11,097 | ^~~~ 2023-09-08T18:04:11,110 src/numerical.c: In function ‘AddRemainderOfCrossTermNumerically’: 2023-09-08T18:04:11,115 src/numerical.c:4944:7: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:04:11,115 4944 | int type; 2023-09-08T18:04:11,116 | ^~~~ 2023-09-08T18:04:11,156 src/numerical.c: In function ‘AddRemainderOfBornTermNumerically’: 2023-09-08T18:04:11,160 src/numerical.c:5158:21: warning: unused variable ‘k3’ [-Wunused-variable] 2023-09-08T18:04:11,161 5158 | int n,ncell,k1,k2,k3; 2023-09-08T18:04:11,162 | ^~ 2023-09-08T18:04:11,165 src/numerical.c:5158:18: warning: unused variable ‘k2’ [-Wunused-variable] 2023-09-08T18:04:11,166 5158 | int n,ncell,k1,k2,k3; 2023-09-08T18:04:11,167 | ^~ 2023-09-08T18:04:11,171 src/numerical.c:5158:15: warning: unused variable ‘k1’ [-Wunused-variable] 2023-09-08T18:04:11,171 5158 | int n,ncell,k1,k2,k3; 2023-09-08T18:04:11,172 | ^~ 2023-09-08T18:04:11,176 src/numerical.c:5158:9: warning: unused variable ‘ncell’ [-Wunused-variable] 2023-09-08T18:04:11,177 5158 | int n,ncell,k1,k2,k3; 2023-09-08T18:04:11,177 | ^~~~~ 2023-09-08T18:04:11,181 src/numerical.c:5155:28: warning: unused variable ‘StoredReplicaBox’ [-Wunused-variable] 2023-09-08T18:04:11,182 5155 | REAL_MATRIX3x3 StoredBox,StoredReplicaBox,strain; 2023-09-08T18:04:11,182 | ^~~~~~~~~~~~~~~~ 2023-09-08T18:04:11,186 src/numerical.c:5153:18: warning: variable ‘StrainDerivativeCentral’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:04:11,187 5153 | REAL_MATRIX3x3 StrainDerivativeCentral,StrainDerivativeForward1,StrainDerivativeForward2; 2023-09-08T18:04:11,187 | ^~~~~~~~~~~~~~~~~~~~~~~ 2023-09-08T18:04:11,192 src/numerical.c:5152:8: warning: unused variable ‘det’ [-Wunused-variable] 2023-09-08T18:04:11,192 5152 | REAL det; 2023-09-08T18:04:11,193 | ^~~ 2023-09-08T18:04:11,202 src/numerical.c: In function ‘ComputeCrossTermNumericallyMinimalSet’: 2023-09-08T18:04:11,208 src/numerical.c:6290:7: warning: variable ‘type’ set but not used [-Wunused-but-set-variable] 2023-09-08T18:04:11,209 6290 | int type; 2023-09-08T18:04:11,210 | ^~~~ 2023-09-08T18:04:29,823 arm-linux-gnueabihf-gcc -Wsign-compare -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -g -fwrapv -O2 -fPIC -Isrc -I/usr/include/python3.11 -c src/output.c -o build/temp.linux-armv7l-cpython-311/src/output.o 2023-09-08T18:04:29,925 src/output.c:36:10: fatal error: sys/sysctl.h: No such file or directory 2023-09-08T18:04:29,926 36 | #include 2023-09-08T18:04:29,927 | ^~~~~~~~~~~~~~ 2023-09-08T18:04:29,927 compilation terminated. 2023-09-08T18:04:29,940 error: command '/usr/bin/arm-linux-gnueabihf-gcc' failed with exit code 1 2023-09-08T18:04:30,079 ERROR: [present-rich] python setup.py bdist_wheel exited with 1 2023-09-08T18:04:30,092 [bold magenta]full command[/]: [blue]/usr/bin/python3 -u -c ' 2023-09-08T18:04:30,092 exec(compile('"'"''"'"''"'"' 2023-09-08T18:04:30,092 # This is -- a caller that pip uses to run setup.py 2023-09-08T18:04:30,092 # 2023-09-08T18:04:30,092 # - It imports setuptools before invoking setup.py, to enable projects that directly 2023-09-08T18:04:30,092 # import from `distutils.core` to work with newer packaging standards. 2023-09-08T18:04:30,092 # - It provides a clear error message when setuptools is not installed. 2023-09-08T18:04:30,092 # - It sets `sys.argv[0]` to the underlying `setup.py`, when invoking `setup.py` so 2023-09-08T18:04:30,092 # setuptools doesn'"'"'t think the script is `-c`. This avoids the following warning: 2023-09-08T18:04:30,092 # manifest_maker: standard file '"'"'-c'"'"' not found". 2023-09-08T18:04:30,092 # - It generates a shim setup.py, for handling setup.cfg-only projects. 2023-09-08T18:04:30,092 import os, sys, tokenize 2023-09-08T18:04:30,092 2023-09-08T18:04:30,092 try: 2023-09-08T18:04:30,092 import setuptools 2023-09-08T18:04:30,092 except ImportError as error: 2023-09-08T18:04:30,092 print( 2023-09-08T18:04:30,092 "ERROR: Can not execute `setup.py` since setuptools is not available in " 2023-09-08T18:04:30,092 "the build environment.", 2023-09-08T18:04:30,092 file=sys.stderr, 2023-09-08T18:04:30,092 ) 2023-09-08T18:04:30,092 sys.exit(1) 2023-09-08T18:04:30,092 2023-09-08T18:04:30,092 __file__ = %r 2023-09-08T18:04:30,092 sys.argv[0] = __file__ 2023-09-08T18:04:30,092 2023-09-08T18:04:30,092 if os.path.exists(__file__): 2023-09-08T18:04:30,092 filename = __file__ 2023-09-08T18:04:30,092 with tokenize.open(__file__) as f: 2023-09-08T18:04:30,092 setup_py_code = f.read() 2023-09-08T18:04:30,092 else: 2023-09-08T18:04:30,092 filename = "" 2023-09-08T18:04:30,092 setup_py_code = "from setuptools import setup; setup()" 2023-09-08T18:04:30,092 2023-09-08T18:04:30,092 exec(compile(setup_py_code, filename, "exec")) 2023-09-08T18:04:30,092 '"'"''"'"''"'"' % ('"'"'/tmp/pip-wheel-unc0tuc8/raspa2_eb2715190bcc4fcaba332258e1e3dcaf/setup.py'"'"',), "", "exec"))' bdist_wheel -d /tmp/pip-wheel-ju9udswr[/] 2023-09-08T18:04:30,092 [bold magenta]cwd[/]: /tmp/pip-wheel-unc0tuc8/raspa2_eb2715190bcc4fcaba332258e1e3dcaf/ 2023-09-08T18:04:30,093 Building wheel for raspa2 (setup.py): finished with status 'error' 2023-09-08T18:04:30,094 ERROR: Failed building wheel for raspa2 2023-09-08T18:04:30,095 Running setup.py clean for raspa2 2023-09-08T18:04:30,096 Running command python setup.py clean 2023-09-08T18:04:31,679 running clean 2023-09-08T18:04:31,727 removing 'build/temp.linux-armv7l-cpython-311' (and everything under it) 2023-09-08T18:04:31,744 removing 'build/lib.linux-armv7l-cpython-311' (and everything under it) 2023-09-08T18:04:31,920 'build/bdist.linux-armv7l' does not exist -- can't clean it 2023-09-08T18:04:31,921 'build/scripts-3.11' does not exist -- can't clean it 2023-09-08T18:04:31,922 removing 'build' 2023-09-08T18:04:32,081 Failed to build raspa2 2023-09-08T18:04:32,082 ERROR: Failed to build one or more wheels 2023-09-08T18:04:32,084 Exception information: 2023-09-08T18:04:32,084 Traceback (most recent call last): 2023-09-08T18:04:32,084 File "/usr/local/lib/python3.11/dist-packages/pip/_internal/cli/base_command.py", line 180, in exc_logging_wrapper 2023-09-08T18:04:32,084 status = run_func(*args) 2023-09-08T18:04:32,084 ^^^^^^^^^^^^^^^ 2023-09-08T18:04:32,084 File "/usr/local/lib/python3.11/dist-packages/pip/_internal/cli/req_command.py", line 248, in wrapper 2023-09-08T18:04:32,084 return func(self, options, args) 2023-09-08T18:04:32,084 ^^^^^^^^^^^^^^^^^^^^^^^^^ 2023-09-08T18:04:32,084 File "/usr/local/lib/python3.11/dist-packages/pip/_internal/commands/wheel.py", line 181, in run 2023-09-08T18:04:32,084 raise CommandError("Failed to build one or more wheels") 2023-09-08T18:04:32,084 pip._internal.exceptions.CommandError: Failed to build one or more wheels 2023-09-08T18:04:32,088 Removed build tracker: '/tmp/pip-build-tracker-v7nc7onk'