2025-10-28T09:20:54,002 Created temporary directory: /tmp/pip-ephem-wheel-cache-40rumanv 2025-10-28T09:20:54,004 Created temporary directory: /tmp/pip-build-tracker-rmrpl0gi 2025-10-28T09:20:54,005 Initialized build tracking at /tmp/pip-build-tracker-rmrpl0gi 2025-10-28T09:20:54,005 Created build tracker: /tmp/pip-build-tracker-rmrpl0gi 2025-10-28T09:20:54,006 Entered build tracker: /tmp/pip-build-tracker-rmrpl0gi 2025-10-28T09:20:54,007 Created temporary directory: /tmp/pip-wheel-wgpv0x8q 2025-10-28T09:20:54,010 DEPRECATION: --no-binary currently disables reading from the cache of locally built wheels. In the future --no-binary will not influence the wheel cache. pip 23.1 will enforce this behaviour change. A possible replacement is to use the --no-cache-dir option. You can use the flag --use-feature=no-binary-enable-wheel-cache to test the upcoming behaviour. Discussion can be found at https://github.com/pypa/pip/issues/11453 2025-10-28T09:20:54,012 Created temporary directory: /tmp/pip-ephem-wheel-cache-lanmxjf3 2025-10-28T09:20:54,037 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2025-10-28T09:20:54,040 2 location(s) to search for versions of biobb-gromacs: 2025-10-28T09:20:54,040 * https://pypi.org/simple/biobb-gromacs/ 2025-10-28T09:20:54,040 * https://www.piwheels.org/simple/biobb-gromacs/ 2025-10-28T09:20:54,041 Fetching project page and analyzing links: https://pypi.org/simple/biobb-gromacs/ 2025-10-28T09:20:54,042 Getting page https://pypi.org/simple/biobb-gromacs/ 2025-10-28T09:20:54,043 Found index url https://pypi.org/simple 2025-10-28T09:20:54,263 Fetched page https://pypi.org/simple/biobb-gromacs/ as application/vnd.pypi.simple.v1+json 2025-10-28T09:20:54,268 Skipping link: No binaries permitted for biobb-gromacs: https://files.pythonhosted.org/packages/86/a0/f92aeb96c32f5abc4e8642e95ab8248f3105dfde5dd0e89435ae70448607/biobb_gromacs-3.8.0-py3-none-any.whl (from https://pypi.org/simple/biobb-gromacs/) (requires-python:>=3.7) 2025-10-28T09:20:54,269 Found link https://files.pythonhosted.org/packages/2a/4b/be17e7b27a96404d0f87426fbabd98dde1c97a7b8a1c54d041066c23ccf4/biobb_gromacs-3.8.0.tar.gz (from https://pypi.org/simple/biobb-gromacs/) (requires-python:>=3.7), version: 3.8.0 2025-10-28T09:20:54,270 Skipping link: No binaries permitted for biobb-gromacs: https://files.pythonhosted.org/packages/2e/0e/747bdb6621a1a44e3f02427166092650a9a68398395ca67f2937b15d7f41/biobb_gromacs-3.8.1-py3-none-any.whl (from https://pypi.org/simple/biobb-gromacs/) (requires-python:>=3.7) 2025-10-28T09:20:54,271 Found link https://files.pythonhosted.org/packages/ea/60/3112f633e90ddc93f3db9c2f4e9e4e3eb1100e3a09c87afbfc7abda281a8/biobb_gromacs-3.8.1.tar.gz (from https://pypi.org/simple/biobb-gromacs/) (requires-python:>=3.7), version: 3.8.1 2025-10-28T09:20:54,271 Skipping link: No binaries permitted for biobb-gromacs: https://files.pythonhosted.org/packages/05/a4/d455ddd59bf78a5737d5d259f73dfd02c519a3e283039a8e017a09f1cfa0/biobb_gromacs-3.9.0-py3-none-any.whl (from https://pypi.org/simple/biobb-gromacs/) (requires-python:>=3.7,<3.10) 2025-10-28T09:20:54,272 Link requires a different Python (3.11.2 not in: '>=3.7,<3.10'): https://files.pythonhosted.org/packages/76/19/78c5eac01654d173445bcd5a5ecb97960da2fbf7f017488890aafd1dce89/biobb_gromacs-3.9.0.tar.gz (from https://pypi.org/simple/biobb-gromacs/) (requires-python:>=3.7,<3.10) 2025-10-28T09:20:54,273 Skipping link: 3.9.0 Requires-Python >=3.7,<3.10: https://files.pythonhosted.org/packages/76/19/78c5eac01654d173445bcd5a5ecb97960da2fbf7f017488890aafd1dce89/biobb_gromacs-3.9.0.tar.gz (from https://pypi.org/simple/biobb-gromacs/) (requires-python:>=3.7,<3.10) 2025-10-28T09:20:54,274 Skipping link: No binaries permitted for biobb-gromacs: https://files.pythonhosted.org/packages/21/48/4004837530aeaa5b0355627b3d5bde2d1ecaec3f03e10c6251df81d26543/biobb_gromacs-4.0.0-py3-none-any.whl (from https://pypi.org/simple/biobb-gromacs/) (requires-python:>=3.7,<=3.10) 2025-10-28T09:20:54,275 Link requires a different Python (3.11.2 not in: '>=3.7,<=3.10'): https://files.pythonhosted.org/packages/35/4e/cb24d7828d758e84bc9b4264303238d2372c7daf6081a88efce3e7e0f316/biobb_gromacs-4.0.0.tar.gz (from https://pypi.org/simple/biobb-gromacs/) (requires-python:>=3.7,<=3.10) 2025-10-28T09:20:54,275 Skipping link: 4.0.0 Requires-Python >=3.7,<=3.10: https://files.pythonhosted.org/packages/35/4e/cb24d7828d758e84bc9b4264303238d2372c7daf6081a88efce3e7e0f316/biobb_gromacs-4.0.0.tar.gz (from https://pypi.org/simple/biobb-gromacs/) (requires-python:>=3.7,<=3.10) 2025-10-28T09:20:54,276 Skipping link: No binaries permitted for biobb-gromacs: https://files.pythonhosted.org/packages/7c/12/2f616a3f4236c15346886c35c7001f657ac2dcf00cd0787d3660abaf91fe/biobb_gromacs-4.1.0-py3-none-any.whl (from https://pypi.org/simple/biobb-gromacs/) (requires-python:>=3.8) 2025-10-28T09:20:54,277 Found link https://files.pythonhosted.org/packages/a1/8e/a64eb1d1994ab01a2c561aa9b4c10aecbcbee823304e8fb9e8dc91ed0d68/biobb_gromacs-4.1.0.tar.gz (from https://pypi.org/simple/biobb-gromacs/) (requires-python:>=3.8), version: 4.1.0 2025-10-28T09:20:54,278 Skipping link: No binaries permitted for biobb-gromacs: https://files.pythonhosted.org/packages/83/29/ba77b856d70014284b072f30499704544fff363802a87e370306e0076e2d/biobb_gromacs-4.1.1-py3-none-any.whl (from https://pypi.org/simple/biobb-gromacs/) (requires-python:>=3.8) 2025-10-28T09:20:54,279 Found link https://files.pythonhosted.org/packages/e0/93/15b79b6f2e563c079e1407285989e8942a0523b53a2234033cb9b60d5324/biobb_gromacs-4.1.1.tar.gz (from https://pypi.org/simple/biobb-gromacs/) (requires-python:>=3.8), version: 4.1.1 2025-10-28T09:20:54,279 Skipping link: No binaries permitted for biobb-gromacs: https://files.pythonhosted.org/packages/92/36/bb026e676c4c3f89143726c5e147df3a93cc51ad64991be78deeb6f5e1ea/biobb_gromacs-4.2.0-py3-none-any.whl (from https://pypi.org/simple/biobb-gromacs/) (requires-python:>=3.8) 2025-10-28T09:20:54,280 Found link https://files.pythonhosted.org/packages/77/64/e76a7729998be35d6332beb40024d7e2a1e4f104ec31cbabafdbf7c0dd7c/biobb_gromacs-4.2.0.tar.gz (from https://pypi.org/simple/biobb-gromacs/) (requires-python:>=3.8), version: 4.2.0 2025-10-28T09:20:54,281 Skipping link: No binaries permitted for biobb-gromacs: https://files.pythonhosted.org/packages/3d/77/54af43bdff43a41844e21972a53a00e29cc6494beff4daf6a232faf4f422/biobb_gromacs-5.0.0-py3-none-any.whl (from https://pypi.org/simple/biobb-gromacs/) (requires-python:>=3.9) 2025-10-28T09:20:54,282 Found link https://files.pythonhosted.org/packages/da/cd/75fa22e6eeb7622bce04a5468bddc39a687a8fb0a0315e716210f390d8a1/biobb_gromacs-5.0.0.tar.gz (from https://pypi.org/simple/biobb-gromacs/) (requires-python:>=3.9), version: 5.0.0 2025-10-28T09:20:54,282 Skipping link: No binaries permitted for biobb-gromacs: https://files.pythonhosted.org/packages/27/ae/18cf98eecaefaf0ad33b170333b0d855733e0722e48ca721941a8eadb525/biobb_gromacs-5.1.0-py3-none-any.whl (from https://pypi.org/simple/biobb-gromacs/) (requires-python:>=3.9) 2025-10-28T09:20:54,283 Found link https://files.pythonhosted.org/packages/76/aa/314fa0f16db514b438450b97bdac627959f5d8e458480849023b06bb7b31/biobb_gromacs-5.1.0.tar.gz (from https://pypi.org/simple/biobb-gromacs/) (requires-python:>=3.9), version: 5.1.0 2025-10-28T09:20:54,284 Skipping link: No binaries permitted for biobb-gromacs: https://files.pythonhosted.org/packages/54/5a/9a9f893a8a031cdbdf327c4c9af1c28058b4bf3cd8fd0cbdb9409b7b63d8/biobb_gromacs-5.1.1-py3-none-any.whl (from https://pypi.org/simple/biobb-gromacs/) (requires-python:>=3.9) 2025-10-28T09:20:54,285 Found link https://files.pythonhosted.org/packages/44/c1/ec968234df3ffb99e4e013c9f6d20635fb9507bed0aaa2a89716e97146ff/biobb_gromacs-5.1.1.tar.gz (from https://pypi.org/simple/biobb-gromacs/) (requires-python:>=3.9), version: 5.1.1 2025-10-28T09:20:54,286 Skipping link: No binaries permitted for biobb-gromacs: https://files.pythonhosted.org/packages/3f/5d/555c7e3a517ca74ba85f78907b6ee549171d4da1d1049246a2b7c52df59d/biobb_gromacs-5.1.2-py3-none-any.whl (from https://pypi.org/simple/biobb-gromacs/) (requires-python:>=3.9) 2025-10-28T09:20:54,287 Found link https://files.pythonhosted.org/packages/ee/c3/75e352dc898a0e0ff7890cd66fcc6af6c7297c8030027f9a43cbf6175594/biobb_gromacs-5.1.2.tar.gz (from https://pypi.org/simple/biobb-gromacs/) (requires-python:>=3.9), version: 5.1.2 2025-10-28T09:20:54,288 Fetching project page and analyzing links: https://www.piwheels.org/simple/biobb-gromacs/ 2025-10-28T09:20:54,288 Getting page https://www.piwheels.org/simple/biobb-gromacs/ 2025-10-28T09:20:54,290 Found index url https://www.piwheels.org/simple 2025-10-28T09:20:54,458 Fetched page https://www.piwheels.org/simple/biobb-gromacs/ as text/html 2025-10-28T09:20:54,462 Skipping link: No binaries permitted for biobb-gromacs: https://archive1.piwheels.org/simple/biobb-gromacs/biobb_gromacs-5.1.1-py3-none-any.whl#sha256=d49fdc6b5755e37333158870f6ddc8f33d393780b79a64dd9af96ba10b3eb0fc (from https://www.piwheels.org/simple/biobb-gromacs/) (requires-python:>=3.9) 2025-10-28T09:20:54,463 Skipping link: No binaries permitted for biobb-gromacs: https://archive1.piwheels.org/simple/biobb-gromacs/biobb_gromacs-5.1.0-py3-none-any.whl#sha256=2b2ef4c5974296a1ed89f590951484d8d07212fa3d2202f5cb8756f5fe8fc932 (from https://www.piwheels.org/simple/biobb-gromacs/) (requires-python:>=3.9) 2025-10-28T09:20:54,463 Skipping link: No binaries permitted for biobb-gromacs: https://archive1.piwheels.org/simple/biobb-gromacs/biobb_gromacs-5.0.0-py3-none-any.whl#sha256=6e23bb6788b797738f24deb4ce3b46c1a7f8b2b8bee7014c98e27cd590885773 (from https://www.piwheels.org/simple/biobb-gromacs/) (requires-python:>=3.9) 2025-10-28T09:20:54,464 Skipping link: No binaries permitted for biobb-gromacs: https://archive1.piwheels.org/simple/biobb-gromacs/biobb_gromacs-4.2.0-py3-none-any.whl#sha256=73bef6e699a1e9bcbaf39b5ad568be326cd5dff5ff5a5676a2891b5051f67995 (from https://www.piwheels.org/simple/biobb-gromacs/) (requires-python:>=3.8) 2025-10-28T09:20:54,464 Skipping link: No binaries permitted for biobb-gromacs: https://archive1.piwheels.org/simple/biobb-gromacs/biobb_gromacs-4.1.1-py3-none-any.whl#sha256=6f8780d0f7ce59dfd9fe3d28ae798d2435fa67c832f9099846ee2d4129ab3edf (from https://www.piwheels.org/simple/biobb-gromacs/) (requires-python:>=3.8) 2025-10-28T09:20:54,465 Skipping link: No binaries permitted for biobb-gromacs: https://archive1.piwheels.org/simple/biobb-gromacs/biobb_gromacs-4.1.0-py3-none-any.whl#sha256=d564543e13ad745f780c6cf0d622b4fd306acfa5ff43ca2c3a7c673d548995ce (from https://www.piwheels.org/simple/biobb-gromacs/) (requires-python:>=3.8) 2025-10-28T09:20:54,465 Skipping link: No binaries permitted for biobb-gromacs: https://archive1.piwheels.org/simple/biobb-gromacs/biobb_gromacs-4.0.0-py3-none-any.whl#sha256=00be99495c4d1a3f70e885bd0cb38842008213f1dfc171b1fbfa7d151023622b (from https://www.piwheels.org/simple/biobb-gromacs/) (requires-python:>=3.7,<=3.10) 2025-10-28T09:20:54,466 Skipping link: No binaries permitted for biobb-gromacs: https://archive1.piwheels.org/simple/biobb-gromacs/biobb_gromacs-3.9.0-py3-none-any.whl#sha256=e1c466d044d7e03844c9ce91c981d715f42706f993e4307cd4a2c3fefe057200 (from https://www.piwheels.org/simple/biobb-gromacs/) (requires-python:>=3.7,<3.10) 2025-10-28T09:20:54,467 Skipping link: No binaries permitted for biobb-gromacs: https://archive1.piwheels.org/simple/biobb-gromacs/biobb_gromacs-3.8.1-py3-none-any.whl#sha256=dc62def4ee04dacfa7a29ad52d42e1fa4c563b5ce844e1ae8f55221271bf2382 (from https://www.piwheels.org/simple/biobb-gromacs/) (requires-python:>=3.7) 2025-10-28T09:20:54,467 Skipping link: No binaries permitted for biobb-gromacs: https://archive1.piwheels.org/simple/biobb-gromacs/biobb_gromacs-3.8.0-py3-none-any.whl#sha256=7add16113788a2a933020f11c3ee9750cca1751c59ff4805bf3cc10ad2088928 (from https://www.piwheels.org/simple/biobb-gromacs/) (requires-python:>=3.7) 2025-10-28T09:20:54,468 Skipping link: not a file: https://www.piwheels.org/simple/biobb-gromacs/ 2025-10-28T09:20:54,468 Skipping link: not a file: https://pypi.org/simple/biobb-gromacs/ 2025-10-28T09:20:54,488 Given no hashes to check 1 links for project 'biobb-gromacs': discarding no candidates 2025-10-28T09:20:54,506 Collecting biobb-gromacs==5.1.2 2025-10-28T09:20:54,509 Created temporary directory: /tmp/pip-unpack-8jitn880 2025-10-28T09:20:54,647 Downloading biobb_gromacs-5.1.2.tar.gz (32 kB) 2025-10-28T09:20:54,741 Added biobb-gromacs==5.1.2 from https://files.pythonhosted.org/packages/ee/c3/75e352dc898a0e0ff7890cd66fcc6af6c7297c8030027f9a43cbf6175594/biobb_gromacs-5.1.2.tar.gz to build tracker '/tmp/pip-build-tracker-rmrpl0gi' 2025-10-28T09:20:54,742 Running setup.py (path:/tmp/pip-wheel-wgpv0x8q/biobb-gromacs_60cd71107223407bbea5f618662070ec/setup.py) egg_info for package biobb-gromacs 2025-10-28T09:20:54,743 Created temporary directory: /tmp/pip-pip-egg-info-ggaj_u_y 2025-10-28T09:20:54,744 Preparing metadata (setup.py): started 2025-10-28T09:20:54,745 Running command python setup.py egg_info 2025-10-28T09:20:55,615 /usr/local/lib/python3.11/dist-packages/setuptools/dist.py:759: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2025-10-28T09:20:55,615 !! 2025-10-28T09:20:55,616 ******************************************************************************** 2025-10-28T09:20:55,617 Please consider removing the following classifiers in favor of a SPDX license expression: 2025-10-28T09:20:55,618 License :: OSI Approved :: Apache Software License 2025-10-28T09:20:55,619 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2025-10-28T09:20:55,619 ******************************************************************************** 2025-10-28T09:20:55,620 !! 2025-10-28T09:20:55,621 self._finalize_license_expression() 2025-10-28T09:20:55,645 running egg_info 2025-10-28T09:20:55,674 creating /tmp/pip-pip-egg-info-ggaj_u_y/biobb_gromacs.egg-info 2025-10-28T09:20:55,675 writing /tmp/pip-pip-egg-info-ggaj_u_y/biobb_gromacs.egg-info/PKG-INFO 2025-10-28T09:20:55,678 writing dependency_links to /tmp/pip-pip-egg-info-ggaj_u_y/biobb_gromacs.egg-info/dependency_links.txt 2025-10-28T09:20:55,680 writing entry points to /tmp/pip-pip-egg-info-ggaj_u_y/biobb_gromacs.egg-info/entry_points.txt 2025-10-28T09:20:55,682 writing requirements to /tmp/pip-pip-egg-info-ggaj_u_y/biobb_gromacs.egg-info/requires.txt 2025-10-28T09:20:55,683 writing top-level names to /tmp/pip-pip-egg-info-ggaj_u_y/biobb_gromacs.egg-info/top_level.txt 2025-10-28T09:20:55,684 writing manifest file '/tmp/pip-pip-egg-info-ggaj_u_y/biobb_gromacs.egg-info/SOURCES.txt' 2025-10-28T09:20:55,778 reading manifest file '/tmp/pip-pip-egg-info-ggaj_u_y/biobb_gromacs.egg-info/SOURCES.txt' 2025-10-28T09:20:55,780 adding license file 'LICENSE' 2025-10-28T09:20:55,783 writing manifest file '/tmp/pip-pip-egg-info-ggaj_u_y/biobb_gromacs.egg-info/SOURCES.txt' 2025-10-28T09:20:55,888 Preparing metadata (setup.py): finished with status 'done' 2025-10-28T09:20:55,893 Source in /tmp/pip-wheel-wgpv0x8q/biobb-gromacs_60cd71107223407bbea5f618662070ec has version 5.1.2, which satisfies requirement biobb-gromacs==5.1.2 from https://files.pythonhosted.org/packages/ee/c3/75e352dc898a0e0ff7890cd66fcc6af6c7297c8030027f9a43cbf6175594/biobb_gromacs-5.1.2.tar.gz 2025-10-28T09:20:55,893 Removed biobb-gromacs==5.1.2 from https://files.pythonhosted.org/packages/ee/c3/75e352dc898a0e0ff7890cd66fcc6af6c7297c8030027f9a43cbf6175594/biobb_gromacs-5.1.2.tar.gz from build tracker '/tmp/pip-build-tracker-rmrpl0gi' 2025-10-28T09:20:55,900 Created temporary directory: /tmp/pip-unpack-x6y2vnjp 2025-10-28T09:20:55,901 Building wheels for collected packages: biobb-gromacs 2025-10-28T09:20:55,905 Created temporary directory: /tmp/pip-wheel-r2ngv9a0 2025-10-28T09:20:55,906 Building wheel for biobb-gromacs (setup.py): started 2025-10-28T09:20:55,907 Destination directory: /tmp/pip-wheel-r2ngv9a0 2025-10-28T09:20:55,908 Running command python setup.py bdist_wheel 2025-10-28T09:20:56,744 /usr/local/lib/python3.11/dist-packages/setuptools/dist.py:759: SetuptoolsDeprecationWarning: License classifiers are deprecated. 2025-10-28T09:20:56,745 !! 2025-10-28T09:20:56,746 ******************************************************************************** 2025-10-28T09:20:56,746 Please consider removing the following classifiers in favor of a SPDX license expression: 2025-10-28T09:20:56,747 License :: OSI Approved :: Apache Software License 2025-10-28T09:20:56,749 See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. 2025-10-28T09:20:56,749 ******************************************************************************** 2025-10-28T09:20:56,750 !! 2025-10-28T09:20:56,750 self._finalize_license_expression() 2025-10-28T09:20:56,751 running bdist_wheel 2025-10-28T09:20:56,886 running build 2025-10-28T09:20:56,887 running build_py 2025-10-28T09:20:56,918 creating build/lib/biobb_gromacs 2025-10-28T09:20:56,920 copying biobb_gromacs/__init__.py -> build/lib/biobb_gromacs 2025-10-28T09:20:56,923 creating build/lib/biobb_gromacs/test 2025-10-28T09:20:56,924 copying biobb_gromacs/test/__init__.py -> build/lib/biobb_gromacs/test 2025-10-28T09:20:56,926 creating build/lib/biobb_gromacs/gromacs_extra 2025-10-28T09:20:56,927 copying biobb_gromacs/gromacs_extra/ndx2resttop.py -> build/lib/biobb_gromacs/gromacs_extra 2025-10-28T09:20:56,930 copying biobb_gromacs/gromacs_extra/append_ligand.py -> build/lib/biobb_gromacs/gromacs_extra 2025-10-28T09:20:56,933 copying biobb_gromacs/gromacs_extra/__init__.py -> build/lib/biobb_gromacs/gromacs_extra 2025-10-28T09:20:56,936 creating build/lib/biobb_gromacs/gromacs 2025-10-28T09:20:56,937 copying biobb_gromacs/gromacs/grompp_mdrun.py -> build/lib/biobb_gromacs/gromacs 2025-10-28T09:20:56,940 copying biobb_gromacs/gromacs/convert_tpr.py -> build/lib/biobb_gromacs/gromacs 2025-10-28T09:20:56,943 copying biobb_gromacs/gromacs/grompp.py -> build/lib/biobb_gromacs/gromacs 2025-10-28T09:20:56,946 copying biobb_gromacs/gromacs/make_ndx.py -> build/lib/biobb_gromacs/gromacs 2025-10-28T09:20:56,948 copying biobb_gromacs/gromacs/mdrun.py -> build/lib/biobb_gromacs/gromacs 2025-10-28T09:20:56,951 copying biobb_gromacs/gromacs/solvate.py -> build/lib/biobb_gromacs/gromacs 2025-10-28T09:20:56,954 copying biobb_gromacs/gromacs/genion.py -> build/lib/biobb_gromacs/gromacs 2025-10-28T09:20:56,957 copying biobb_gromacs/gromacs/__init__.py -> build/lib/biobb_gromacs/gromacs 2025-10-28T09:20:56,959 copying biobb_gromacs/gromacs/editconf.py -> build/lib/biobb_gromacs/gromacs 2025-10-28T09:20:56,961 copying biobb_gromacs/gromacs/genrestr.py -> build/lib/biobb_gromacs/gromacs 2025-10-28T09:20:56,964 copying biobb_gromacs/gromacs/pdb2gmx.py -> build/lib/biobb_gromacs/gromacs 2025-10-28T09:20:56,966 copying biobb_gromacs/gromacs/trjcat.py -> build/lib/biobb_gromacs/gromacs 2025-10-28T09:20:56,969 copying biobb_gromacs/gromacs/common.py -> build/lib/biobb_gromacs/gromacs 2025-10-28T09:20:56,972 copying biobb_gromacs/gromacs/gmxselect.py -> build/lib/biobb_gromacs/gromacs 2025-10-28T09:20:56,978 copying biobb_gromacs/py.typed -> build/lib/biobb_gromacs 2025-10-28T09:20:57,012 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/cmd.py:90: SetuptoolsDeprecationWarning: setup.py install is deprecated. 2025-10-28T09:20:57,013 !! 2025-10-28T09:20:57,015 ******************************************************************************** 2025-10-28T09:20:57,016 Please avoid running ``setup.py`` directly. 2025-10-28T09:20:57,017 Instead, use pypa/build, pypa/installer or other 2025-10-28T09:20:57,018 standards-based tools. 2025-10-28T09:20:57,019 By 2025-Oct-31, you need to update your project and remove deprecated calls 2025-10-28T09:20:57,020 or your builds will no longer be supported. 2025-10-28T09:20:57,021 See https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.html for details. 2025-10-28T09:20:57,022 ******************************************************************************** 2025-10-28T09:20:57,023 !! 2025-10-28T09:20:57,024 self.initialize_options() 2025-10-28T09:20:57,043 installing to build/bdist.linux-armv7l/wheel 2025-10-28T09:20:57,044 running install 2025-10-28T09:20:57,067 running install_lib 2025-10-28T09:20:57,095 creating build/bdist.linux-armv7l/wheel 2025-10-28T09:20:57,097 creating build/bdist.linux-armv7l/wheel/biobb_gromacs 2025-10-28T09:20:57,099 creating build/bdist.linux-armv7l/wheel/biobb_gromacs/test 2025-10-28T09:20:57,100 copying build/lib/biobb_gromacs/test/__init__.py -> build/bdist.linux-armv7l/wheel/./biobb_gromacs/test 2025-10-28T09:20:57,102 copying build/lib/biobb_gromacs/py.typed -> build/bdist.linux-armv7l/wheel/./biobb_gromacs 2025-10-28T09:20:57,103 copying build/lib/biobb_gromacs/__init__.py -> build/bdist.linux-armv7l/wheel/./biobb_gromacs 2025-10-28T09:20:57,105 creating build/bdist.linux-armv7l/wheel/biobb_gromacs/gromacs_extra 2025-10-28T09:20:57,106 copying build/lib/biobb_gromacs/gromacs_extra/ndx2resttop.py -> build/bdist.linux-armv7l/wheel/./biobb_gromacs/gromacs_extra 2025-10-28T09:20:57,110 copying build/lib/biobb_gromacs/gromacs_extra/append_ligand.py -> build/bdist.linux-armv7l/wheel/./biobb_gromacs/gromacs_extra 2025-10-28T09:20:57,115 copying build/lib/biobb_gromacs/gromacs_extra/__init__.py -> build/bdist.linux-armv7l/wheel/./biobb_gromacs/gromacs_extra 2025-10-28T09:20:57,117 creating build/bdist.linux-armv7l/wheel/biobb_gromacs/gromacs 2025-10-28T09:20:57,118 copying build/lib/biobb_gromacs/gromacs/grompp_mdrun.py -> build/bdist.linux-armv7l/wheel/./biobb_gromacs/gromacs 2025-10-28T09:20:57,121 copying build/lib/biobb_gromacs/gromacs/convert_tpr.py -> build/bdist.linux-armv7l/wheel/./biobb_gromacs/gromacs 2025-10-28T09:20:57,123 copying build/lib/biobb_gromacs/gromacs/grompp.py -> build/bdist.linux-armv7l/wheel/./biobb_gromacs/gromacs 2025-10-28T09:20:57,125 copying build/lib/biobb_gromacs/gromacs/make_ndx.py -> build/bdist.linux-armv7l/wheel/./biobb_gromacs/gromacs 2025-10-28T09:20:57,128 copying build/lib/biobb_gromacs/gromacs/mdrun.py -> build/bdist.linux-armv7l/wheel/./biobb_gromacs/gromacs 2025-10-28T09:20:57,131 copying build/lib/biobb_gromacs/gromacs/solvate.py -> build/bdist.linux-armv7l/wheel/./biobb_gromacs/gromacs 2025-10-28T09:20:57,133 copying build/lib/biobb_gromacs/gromacs/genion.py -> build/bdist.linux-armv7l/wheel/./biobb_gromacs/gromacs 2025-10-28T09:20:57,136 copying build/lib/biobb_gromacs/gromacs/__init__.py -> build/bdist.linux-armv7l/wheel/./biobb_gromacs/gromacs 2025-10-28T09:20:57,138 copying build/lib/biobb_gromacs/gromacs/editconf.py -> build/bdist.linux-armv7l/wheel/./biobb_gromacs/gromacs 2025-10-28T09:20:57,140 copying build/lib/biobb_gromacs/gromacs/genrestr.py -> build/bdist.linux-armv7l/wheel/./biobb_gromacs/gromacs 2025-10-28T09:20:57,142 copying build/lib/biobb_gromacs/gromacs/pdb2gmx.py -> build/bdist.linux-armv7l/wheel/./biobb_gromacs/gromacs 2025-10-28T09:20:57,145 copying build/lib/biobb_gromacs/gromacs/trjcat.py -> build/bdist.linux-armv7l/wheel/./biobb_gromacs/gromacs 2025-10-28T09:20:57,147 copying build/lib/biobb_gromacs/gromacs/common.py -> build/bdist.linux-armv7l/wheel/./biobb_gromacs/gromacs 2025-10-28T09:20:57,150 copying build/lib/biobb_gromacs/gromacs/gmxselect.py -> build/bdist.linux-armv7l/wheel/./biobb_gromacs/gromacs 2025-10-28T09:20:57,152 running install_egg_info 2025-10-28T09:20:57,189 running egg_info 2025-10-28T09:20:57,216 writing biobb_gromacs.egg-info/PKG-INFO 2025-10-28T09:20:57,220 writing dependency_links to biobb_gromacs.egg-info/dependency_links.txt 2025-10-28T09:20:57,222 writing entry points to biobb_gromacs.egg-info/entry_points.txt 2025-10-28T09:20:57,223 writing requirements to biobb_gromacs.egg-info/requires.txt 2025-10-28T09:20:57,225 writing top-level names to biobb_gromacs.egg-info/top_level.txt 2025-10-28T09:20:57,259 reading manifest file 'biobb_gromacs.egg-info/SOURCES.txt' 2025-10-28T09:20:57,262 adding license file 'LICENSE' 2025-10-28T09:20:57,265 writing manifest file 'biobb_gromacs.egg-info/SOURCES.txt' 2025-10-28T09:20:57,267 Copying biobb_gromacs.egg-info to build/bdist.linux-armv7l/wheel/./biobb_gromacs-5.1.2-py3.11.egg-info 2025-10-28T09:20:57,279 running install_scripts 2025-10-28T09:20:57,293 creating build/bdist.linux-armv7l/wheel/biobb_gromacs-5.1.2.dist-info/WHEEL 2025-10-28T09:20:57,295 creating '/tmp/pip-wheel-r2ngv9a0/biobb_gromacs-5.1.2-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2025-10-28T09:20:57,298 adding 'biobb_gromacs/__init__.py' 2025-10-28T09:20:57,299 adding 'biobb_gromacs/py.typed' 2025-10-28T09:20:57,301 adding 'biobb_gromacs/gromacs/__init__.py' 2025-10-28T09:20:57,303 adding 'biobb_gromacs/gromacs/common.py' 2025-10-28T09:20:57,304 adding 'biobb_gromacs/gromacs/convert_tpr.py' 2025-10-28T09:20:57,306 adding 'biobb_gromacs/gromacs/editconf.py' 2025-10-28T09:20:57,308 adding 'biobb_gromacs/gromacs/genion.py' 2025-10-28T09:20:57,310 adding 'biobb_gromacs/gromacs/genrestr.py' 2025-10-28T09:20:57,311 adding 'biobb_gromacs/gromacs/gmxselect.py' 2025-10-28T09:20:57,313 adding 'biobb_gromacs/gromacs/grompp.py' 2025-10-28T09:20:57,315 adding 'biobb_gromacs/gromacs/grompp_mdrun.py' 2025-10-28T09:20:57,317 adding 'biobb_gromacs/gromacs/make_ndx.py' 2025-10-28T09:20:57,319 adding 'biobb_gromacs/gromacs/mdrun.py' 2025-10-28T09:20:57,321 adding 'biobb_gromacs/gromacs/pdb2gmx.py' 2025-10-28T09:20:57,323 adding 'biobb_gromacs/gromacs/solvate.py' 2025-10-28T09:20:57,324 adding 'biobb_gromacs/gromacs/trjcat.py' 2025-10-28T09:20:57,326 adding 'biobb_gromacs/gromacs_extra/__init__.py' 2025-10-28T09:20:57,328 adding 'biobb_gromacs/gromacs_extra/append_ligand.py' 2025-10-28T09:20:57,330 adding 'biobb_gromacs/gromacs_extra/ndx2resttop.py' 2025-10-28T09:20:57,332 adding 'biobb_gromacs/test/__init__.py' 2025-10-28T09:20:57,335 adding 'biobb_gromacs-5.1.2.dist-info/licenses/LICENSE' 2025-10-28T09:20:57,336 adding 'biobb_gromacs-5.1.2.dist-info/METADATA' 2025-10-28T09:20:57,338 adding 'biobb_gromacs-5.1.2.dist-info/WHEEL' 2025-10-28T09:20:57,339 adding 'biobb_gromacs-5.1.2.dist-info/entry_points.txt' 2025-10-28T09:20:57,340 adding 'biobb_gromacs-5.1.2.dist-info/top_level.txt' 2025-10-28T09:20:57,341 adding 'biobb_gromacs-5.1.2.dist-info/RECORD' 2025-10-28T09:20:57,343 removing build/bdist.linux-armv7l/wheel 2025-10-28T09:20:57,458 Building wheel for biobb-gromacs (setup.py): finished with status 'done' 2025-10-28T09:20:57,461 Created wheel for biobb-gromacs: filename=biobb_gromacs-5.1.2-py3-none-any.whl size=54302 sha256=06377b39e0f8c3f50f5363c12432f198336572ba5a4846532f78abad5a0ccf98 2025-10-28T09:20:57,462 Stored in directory: /tmp/pip-ephem-wheel-cache-lanmxjf3/wheels/d8/22/d6/3989d7612d10fd682a2fe3b2d4f58159b36f40ede8ee53ed62 2025-10-28T09:20:57,474 Successfully built biobb-gromacs 2025-10-28T09:20:57,479 Removed build tracker: '/tmp/pip-build-tracker-rmrpl0gi'