2024-12-03T12:51:26,278 Created temporary directory: /tmp/pip-build-tracker-qv3_87bk 2024-12-03T12:51:26,281 Initialized build tracking at /tmp/pip-build-tracker-qv3_87bk 2024-12-03T12:51:26,281 Created build tracker: /tmp/pip-build-tracker-qv3_87bk 2024-12-03T12:51:26,282 Entered build tracker: /tmp/pip-build-tracker-qv3_87bk 2024-12-03T12:51:26,283 Created temporary directory: /tmp/pip-wheel-q47wftrj 2024-12-03T12:51:26,287 Created temporary directory: /tmp/pip-ephem-wheel-cache-jysgjdzt 2024-12-03T12:51:26,329 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2024-12-03T12:51:26,332 2 location(s) to search for versions of streamd: 2024-12-03T12:51:26,332 * https://pypi.org/simple/streamd/ 2024-12-03T12:51:26,332 * https://www.piwheels.org/simple/streamd/ 2024-12-03T12:51:26,333 Fetching project page and analyzing links: https://pypi.org/simple/streamd/ 2024-12-03T12:51:26,334 Getting page https://pypi.org/simple/streamd/ 2024-12-03T12:51:26,335 Found index url https://pypi.org/simple/ 2024-12-03T12:51:26,592 Fetched page https://pypi.org/simple/streamd/ as application/vnd.pypi.simple.v1+json 2024-12-03T12:51:26,595 Found link https://files.pythonhosted.org/packages/8d/96/dd06d3cfc2b8f66a791d39120d88fc8a735168ebc8ff7e5638850a02bdb7/streamd-0.2.4.tar.gz (from https://pypi.org/simple/streamd/) (requires-python:>=3.6), version: 0.2.4 2024-12-03T12:51:26,596 Found link https://files.pythonhosted.org/packages/3c/33/e67ff9cffede4a4390020db9ba6f6823898845e3c8bba06b3b5ff85c9c70/streamd-0.2.5.tar.gz (from https://pypi.org/simple/streamd/) (requires-python:>=3.6), version: 0.2.5 2024-12-03T12:51:26,597 Skipping link: No binaries permitted for streamd: https://files.pythonhosted.org/packages/44/4e/ff6c13b62f53b4037ae42649009dce5a32b8ac0ad0eac5eec3df5cfbb557/streamd-0.2.6-py3-none-any.whl (from https://pypi.org/simple/streamd/) (requires-python:>=3.6) 2024-12-03T12:51:26,598 Found link https://files.pythonhosted.org/packages/72/53/dc71d524afdcfe34821f994e1affe793bbc44b984a73134cdea2ef641300/streamd-0.2.6.tar.gz (from https://pypi.org/simple/streamd/) (requires-python:>=3.6), version: 0.2.6 2024-12-03T12:51:26,598 Skipping link: No binaries permitted for streamd: https://files.pythonhosted.org/packages/4f/10/22028ea2fffc91921a979a6e5ac95b1f2b490e16abb5942b8ed978990ef7/streamd-0.2.7-py3-none-any.whl (from https://pypi.org/simple/streamd/) (requires-python:>=3.6) 2024-12-03T12:51:26,599 Found link https://files.pythonhosted.org/packages/0f/8e/371666f0b05ae834174fb94cf0f7bd3871c13f87754cb346c767547c4fd6/streamd-0.2.7.tar.gz (from https://pypi.org/simple/streamd/) (requires-python:>=3.6), version: 0.2.7 2024-12-03T12:51:26,600 Skipping link: No binaries permitted for streamd: https://files.pythonhosted.org/packages/c2/f5/430a5c7a0d58e87a183780df143edaea3c8926826fbe74855b67dc603ac8/streamd-0.2.8-py3-none-any.whl (from https://pypi.org/simple/streamd/) (requires-python:>=3.6) 2024-12-03T12:51:26,601 Found link https://files.pythonhosted.org/packages/19/63/5b4a036a2830d533730fefed020bcd0451328786b9d3de3e28b3b4f9ce5a/streamd-0.2.8.tar.gz (from https://pypi.org/simple/streamd/) (requires-python:>=3.6), version: 0.2.8 2024-12-03T12:51:26,602 Fetching project page and analyzing links: https://www.piwheels.org/simple/streamd/ 2024-12-03T12:51:26,602 Getting page https://www.piwheels.org/simple/streamd/ 2024-12-03T12:51:26,604 Found index url https://www.piwheels.org/simple/ 2024-12-03T12:51:26,768 Fetched page https://www.piwheels.org/simple/streamd/ as text/html 2024-12-03T12:51:26,770 Skipping link: No binaries permitted for streamd: https://www.piwheels.org/simple/streamd/streamd-0.2.7-py3-none-any.whl#sha256=b7a066f4959ff075f96580ed0af8feed31c39d59ca32f5706f79c6503d02d3f7 (from https://www.piwheels.org/simple/streamd/) (requires-python:>=3.6) 2024-12-03T12:51:26,771 Skipping link: No binaries permitted for streamd: https://www.piwheels.org/simple/streamd/streamd-0.2.6-py3-none-any.whl#sha256=f7888c07d9836354ded91c5e344bbb7b1d4552d11e37e32321cde4b50262a040 (from https://www.piwheels.org/simple/streamd/) (requires-python:>=3.6) 2024-12-03T12:51:26,772 Skipping link: No binaries permitted for streamd: https://www.piwheels.org/simple/streamd/streamd-0.2.5-py3-none-any.whl#sha256=23e92bac46dff5622fbf91e611c2277c5c87967d2a26965933d6f33e03b63818 (from https://www.piwheels.org/simple/streamd/) (requires-python:>=3.6) 2024-12-03T12:51:26,773 Skipping link: No binaries permitted for streamd: https://www.piwheels.org/simple/streamd/streamd-0.2.4-py3-none-any.whl#sha256=411cca8c59b01f0e7b8e18520e025a61e135cc2a6db0f374d2d5b80b171dbb2e (from https://www.piwheels.org/simple/streamd/) (requires-python:>=3.6) 2024-12-03T12:51:26,773 Skipping link: not a file: https://www.piwheels.org/simple/streamd/ 2024-12-03T12:51:26,774 Skipping link: not a file: https://pypi.org/simple/streamd/ 2024-12-03T12:51:26,792 Given no hashes to check 1 links for project 'streamd': discarding no candidates 2024-12-03T12:51:26,794 Collecting streamd==0.2.8 2024-12-03T12:51:26,796 Created temporary directory: /tmp/pip-unpack-doxg2pi4 2024-12-03T12:51:27,017 Downloading streamd-0.2.8.tar.gz (165 kB) 2024-12-03T12:51:27,236 Added streamd==0.2.8 from https://files.pythonhosted.org/packages/19/63/5b4a036a2830d533730fefed020bcd0451328786b9d3de3e28b3b4f9ce5a/streamd-0.2.8.tar.gz to build tracker '/tmp/pip-build-tracker-qv3_87bk' 2024-12-03T12:51:27,238 Running setup.py (path:/tmp/pip-wheel-q47wftrj/streamd_fb3ac668cdab4f21a54e08cafa4695fb/setup.py) egg_info for package streamd 2024-12-03T12:51:27,239 Created temporary directory: /tmp/pip-pip-egg-info-6ck72oae 2024-12-03T12:51:27,240 Preparing metadata (setup.py): started 2024-12-03T12:51:27,241 Running command python setup.py egg_info 2024-12-03T12:51:28,342 running egg_info 2024-12-03T12:51:28,371 creating /tmp/pip-pip-egg-info-6ck72oae/streamd.egg-info 2024-12-03T12:51:28,372 writing /tmp/pip-pip-egg-info-6ck72oae/streamd.egg-info/PKG-INFO 2024-12-03T12:51:28,376 writing dependency_links to /tmp/pip-pip-egg-info-6ck72oae/streamd.egg-info/dependency_links.txt 2024-12-03T12:51:28,378 writing entry points to /tmp/pip-pip-egg-info-6ck72oae/streamd.egg-info/entry_points.txt 2024-12-03T12:51:28,380 writing requirements to /tmp/pip-pip-egg-info-6ck72oae/streamd.egg-info/requires.txt 2024-12-03T12:51:28,381 writing top-level names to /tmp/pip-pip-egg-info-6ck72oae/streamd.egg-info/top_level.txt 2024-12-03T12:51:28,382 writing manifest file '/tmp/pip-pip-egg-info-6ck72oae/streamd.egg-info/SOURCES.txt' 2024-12-03T12:51:28,479 reading manifest file '/tmp/pip-pip-egg-info-6ck72oae/streamd.egg-info/SOURCES.txt' 2024-12-03T12:51:28,481 reading manifest template 'MANIFEST.in' 2024-12-03T12:51:28,486 adding license file 'LICENSE.txt' 2024-12-03T12:51:28,490 writing manifest file '/tmp/pip-pip-egg-info-6ck72oae/streamd.egg-info/SOURCES.txt' 2024-12-03T12:51:28,597 Preparing metadata (setup.py): finished with status 'done' 2024-12-03T12:51:28,603 Source in /tmp/pip-wheel-q47wftrj/streamd_fb3ac668cdab4f21a54e08cafa4695fb has version 0.2.8, which satisfies requirement streamd==0.2.8 from https://files.pythonhosted.org/packages/19/63/5b4a036a2830d533730fefed020bcd0451328786b9d3de3e28b3b4f9ce5a/streamd-0.2.8.tar.gz 2024-12-03T12:51:28,604 Removed streamd==0.2.8 from https://files.pythonhosted.org/packages/19/63/5b4a036a2830d533730fefed020bcd0451328786b9d3de3e28b3b4f9ce5a/streamd-0.2.8.tar.gz from build tracker '/tmp/pip-build-tracker-qv3_87bk' 2024-12-03T12:51:28,613 Created temporary directory: /tmp/pip-unpack-7j6vg5k9 2024-12-03T12:51:28,614 Created temporary directory: /tmp/pip-unpack-uhm4o0re 2024-12-03T12:51:28,615 Building wheels for collected packages: streamd 2024-12-03T12:51:28,619 Created temporary directory: /tmp/pip-wheel-o2inr14c 2024-12-03T12:51:28,619 Building wheel for streamd (setup.py): started 2024-12-03T12:51:28,621 Destination directory: /tmp/pip-wheel-o2inr14c 2024-12-03T12:51:28,621 Running command python setup.py bdist_wheel 2024-12-03T12:51:29,647 running bdist_wheel 2024-12-03T12:51:29,780 running build 2024-12-03T12:51:29,781 running build_py 2024-12-03T12:51:29,810 creating build/lib/streamd 2024-12-03T12:51:29,812 copying streamd/run_gbsa.py -> build/lib/streamd 2024-12-03T12:51:29,815 copying streamd/run_md.py -> build/lib/streamd 2024-12-03T12:51:29,818 copying streamd/__init__.py -> build/lib/streamd 2024-12-03T12:51:29,820 creating build/lib/streamd/mcpbpy_md 2024-12-03T12:51:29,822 copying streamd/mcpbpy_md/mcbpy_md.py -> build/lib/streamd/mcpbpy_md 2024-12-03T12:51:29,824 copying streamd/mcpbpy_md/__init__.py -> build/lib/streamd/mcpbpy_md 2024-12-03T12:51:29,826 creating build/lib/streamd/prolif 2024-12-03T12:51:29,827 copying streamd/prolif/prolif2png.py -> build/lib/streamd/prolif 2024-12-03T12:51:29,829 copying streamd/prolif/run_prolif.py -> build/lib/streamd/prolif 2024-12-03T12:51:29,832 copying streamd/prolif/__init__.py -> build/lib/streamd/prolif 2024-12-03T12:51:29,833 copying streamd/prolif/prolif_frame_map.py -> build/lib/streamd/prolif 2024-12-03T12:51:29,836 creating build/lib/streamd/analysis 2024-12-03T12:51:29,837 copying streamd/analysis/xvg2png.py -> build/lib/streamd/analysis 2024-12-03T12:51:29,839 copying streamd/analysis/md_system_analysis.py -> build/lib/streamd/analysis 2024-12-03T12:51:29,841 copying streamd/analysis/run_analysis.py -> build/lib/streamd/analysis 2024-12-03T12:51:29,844 copying streamd/analysis/plot_build.py -> build/lib/streamd/analysis 2024-12-03T12:51:29,846 copying streamd/analysis/__init__.py -> build/lib/streamd/analysis 2024-12-03T12:51:29,848 creating build/lib/streamd/scripts 2024-12-03T12:51:29,849 copying streamd/scripts/prepare_Gaussian_input.py -> build/lib/streamd/scripts 2024-12-03T12:51:29,851 copying streamd/scripts/getcharge.py -> build/lib/streamd/scripts 2024-12-03T12:51:29,853 copying streamd/scripts/mol2_fix_coordsbonds.py -> build/lib/streamd/scripts 2024-12-03T12:51:29,855 copying streamd/scripts/pdb2mol.py -> build/lib/streamd/scripts 2024-12-03T12:51:29,857 copying streamd/scripts/__init__.py -> build/lib/streamd/scripts 2024-12-03T12:51:29,858 copying streamd/scripts/pmed_amb2gmx.py -> build/lib/streamd/scripts 2024-12-03T12:51:29,861 creating build/lib/streamd/utils 2024-12-03T12:51:29,862 copying streamd/utils/utils.py -> build/lib/streamd/utils 2024-12-03T12:51:29,864 copying streamd/utils/__init__.py -> build/lib/streamd/utils 2024-12-03T12:51:29,865 copying streamd/utils/dask_init.py -> build/lib/streamd/utils 2024-12-03T12:51:29,868 creating build/lib/streamd/preparation 2024-12-03T12:51:29,869 copying streamd/preparation/md_files_preparation.py -> build/lib/streamd/preparation 2024-12-03T12:51:29,871 copying streamd/preparation/nonstandard_solvent_preparation.py -> build/lib/streamd/preparation 2024-12-03T12:51:29,873 copying streamd/preparation/ligand_preparation.py -> build/lib/streamd/preparation 2024-12-03T12:51:29,878 copying streamd/preparation/complex_preparation.py -> build/lib/streamd/preparation 2024-12-03T12:51:29,884 copying streamd/preparation/__init__.py -> build/lib/streamd/preparation 2024-12-03T12:51:29,888 copying streamd/preparation/mcpbpy_preparation.py -> build/lib/streamd/preparation 2024-12-03T12:51:29,896 running egg_info 2024-12-03T12:51:29,928 writing streamd.egg-info/PKG-INFO 2024-12-03T12:51:29,933 writing dependency_links to streamd.egg-info/dependency_links.txt 2024-12-03T12:51:29,935 writing entry points to streamd.egg-info/entry_points.txt 2024-12-03T12:51:29,937 writing requirements to streamd.egg-info/requires.txt 2024-12-03T12:51:29,938 writing top-level names to streamd.egg-info/top_level.txt 2024-12-03T12:51:29,976 reading manifest file 'streamd.egg-info/SOURCES.txt' 2024-12-03T12:51:29,981 reading manifest template 'MANIFEST.in' 2024-12-03T12:51:29,990 adding license file 'LICENSE.txt' 2024-12-03T12:51:29,990 writing manifest file 'streamd.egg-info/SOURCES.txt' 2024-12-03T12:51:29,993 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:220: _Warning: Package 'streamd.example' is absent from the `packages` configuration. 2024-12-03T12:51:29,994 !! 2024-12-03T12:51:29,995 ******************************************************************************** 2024-12-03T12:51:29,996 ############################ 2024-12-03T12:51:29,996 # Package would be ignored # 2024-12-03T12:51:29,996 ############################ 2024-12-03T12:51:29,997 Python recognizes 'streamd.example' as an importable package[^1], 2024-12-03T12:51:29,997 but it is absent from setuptools' `packages` configuration. 2024-12-03T12:51:29,998 This leads to an ambiguous overall configuration. If you want to distribute this 2024-12-03T12:51:29,999 package, please make sure that 'streamd.example' is explicitly added 2024-12-03T12:51:29,999 to the `packages` configuration field. 2024-12-03T12:51:30,000 Alternatively, you can also rely on setuptools' discovery methods 2024-12-03T12:51:30,000 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-12-03T12:51:30,001 instead of `find_packages(...)`/`find:`). 2024-12-03T12:51:30,002 You can read more about "package discovery" on setuptools documentation page: 2024-12-03T12:51:30,003 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-12-03T12:51:30,003 If you don't want 'streamd.example' to be distributed and are 2024-12-03T12:51:30,004 already explicitly excluding 'streamd.example' via 2024-12-03T12:51:30,004 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-12-03T12:51:30,005 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-12-03T12:51:30,005 combination with a more fine grained `package-data` configuration. 2024-12-03T12:51:30,006 You can read more about "package data files" on setuptools documentation page: 2024-12-03T12:51:30,007 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-12-03T12:51:30,009 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-12-03T12:51:30,009 even if it does not contain any `.py` files. 2024-12-03T12:51:30,010 On the other hand, currently there is no concept of package data 2024-12-03T12:51:30,010 directory, all directories are treated like packages. 2024-12-03T12:51:30,011 ******************************************************************************** 2024-12-03T12:51:30,012 !! 2024-12-03T12:51:30,014 check.warn(importable) 2024-12-03T12:51:30,018 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:220: _Warning: Package 'streamd.scripts.com' is absent from the `packages` configuration. 2024-12-03T12:51:30,018 !! 2024-12-03T12:51:30,020 ******************************************************************************** 2024-12-03T12:51:30,020 ############################ 2024-12-03T12:51:30,021 # Package would be ignored # 2024-12-03T12:51:30,021 ############################ 2024-12-03T12:51:30,022 Python recognizes 'streamd.scripts.com' as an importable package[^1], 2024-12-03T12:51:30,023 but it is absent from setuptools' `packages` configuration. 2024-12-03T12:51:30,024 This leads to an ambiguous overall configuration. If you want to distribute this 2024-12-03T12:51:30,025 package, please make sure that 'streamd.scripts.com' is explicitly added 2024-12-03T12:51:30,026 to the `packages` configuration field. 2024-12-03T12:51:30,027 Alternatively, you can also rely on setuptools' discovery methods 2024-12-03T12:51:30,028 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-12-03T12:51:30,029 instead of `find_packages(...)`/`find:`). 2024-12-03T12:51:30,030 You can read more about "package discovery" on setuptools documentation page: 2024-12-03T12:51:30,031 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-12-03T12:51:30,033 If you don't want 'streamd.scripts.com' to be distributed and are 2024-12-03T12:51:30,033 already explicitly excluding 'streamd.scripts.com' via 2024-12-03T12:51:30,034 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-12-03T12:51:30,034 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-12-03T12:51:30,035 combination with a more fine grained `package-data` configuration. 2024-12-03T12:51:30,036 You can read more about "package data files" on setuptools documentation page: 2024-12-03T12:51:30,037 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-12-03T12:51:30,038 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-12-03T12:51:30,038 even if it does not contain any `.py` files. 2024-12-03T12:51:30,039 On the other hand, currently there is no concept of package data 2024-12-03T12:51:30,039 directory, all directories are treated like packages. 2024-12-03T12:51:30,040 ******************************************************************************** 2024-12-03T12:51:30,040 !! 2024-12-03T12:51:30,041 check.warn(importable) 2024-12-03T12:51:30,041 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:220: _Warning: Package 'streamd.scripts.gbsa' is absent from the `packages` configuration. 2024-12-03T12:51:30,042 !! 2024-12-03T12:51:30,043 ******************************************************************************** 2024-12-03T12:51:30,043 ############################ 2024-12-03T12:51:30,044 # Package would be ignored # 2024-12-03T12:51:30,044 ############################ 2024-12-03T12:51:30,044 Python recognizes 'streamd.scripts.gbsa' as an importable package[^1], 2024-12-03T12:51:30,045 but it is absent from setuptools' `packages` configuration. 2024-12-03T12:51:30,046 This leads to an ambiguous overall configuration. If you want to distribute this 2024-12-03T12:51:30,046 package, please make sure that 'streamd.scripts.gbsa' is explicitly added 2024-12-03T12:51:30,047 to the `packages` configuration field. 2024-12-03T12:51:30,048 Alternatively, you can also rely on setuptools' discovery methods 2024-12-03T12:51:30,048 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-12-03T12:51:30,049 instead of `find_packages(...)`/`find:`). 2024-12-03T12:51:30,050 You can read more about "package discovery" on setuptools documentation page: 2024-12-03T12:51:30,051 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-12-03T12:51:30,052 If you don't want 'streamd.scripts.gbsa' to be distributed and are 2024-12-03T12:51:30,053 already explicitly excluding 'streamd.scripts.gbsa' via 2024-12-03T12:51:30,053 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-12-03T12:51:30,054 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-12-03T12:51:30,054 combination with a more fine grained `package-data` configuration. 2024-12-03T12:51:30,055 You can read more about "package data files" on setuptools documentation page: 2024-12-03T12:51:30,056 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-12-03T12:51:30,058 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-12-03T12:51:30,058 even if it does not contain any `.py` files. 2024-12-03T12:51:30,059 On the other hand, currently there is no concept of package data 2024-12-03T12:51:30,060 directory, all directories are treated like packages. 2024-12-03T12:51:30,060 ******************************************************************************** 2024-12-03T12:51:30,062 !! 2024-12-03T12:51:30,062 check.warn(importable) 2024-12-03T12:51:30,062 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:220: _Warning: Package 'streamd.scripts.mcpbpy_scripts' is absent from the `packages` configuration. 2024-12-03T12:51:30,063 !! 2024-12-03T12:51:30,064 ******************************************************************************** 2024-12-03T12:51:30,064 ############################ 2024-12-03T12:51:30,064 # Package would be ignored # 2024-12-03T12:51:30,065 ############################ 2024-12-03T12:51:30,065 Python recognizes 'streamd.scripts.mcpbpy_scripts' as an importable package[^1], 2024-12-03T12:51:30,066 but it is absent from setuptools' `packages` configuration. 2024-12-03T12:51:30,067 This leads to an ambiguous overall configuration. If you want to distribute this 2024-12-03T12:51:30,067 package, please make sure that 'streamd.scripts.mcpbpy_scripts' is explicitly added 2024-12-03T12:51:30,068 to the `packages` configuration field. 2024-12-03T12:51:30,068 Alternatively, you can also rely on setuptools' discovery methods 2024-12-03T12:51:30,069 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-12-03T12:51:30,069 instead of `find_packages(...)`/`find:`). 2024-12-03T12:51:30,070 You can read more about "package discovery" on setuptools documentation page: 2024-12-03T12:51:30,071 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-12-03T12:51:30,072 If you don't want 'streamd.scripts.mcpbpy_scripts' to be distributed and are 2024-12-03T12:51:30,072 already explicitly excluding 'streamd.scripts.mcpbpy_scripts' via 2024-12-03T12:51:30,073 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-12-03T12:51:30,073 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-12-03T12:51:30,074 combination with a more fine grained `package-data` configuration. 2024-12-03T12:51:30,075 You can read more about "package data files" on setuptools documentation page: 2024-12-03T12:51:30,076 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-12-03T12:51:30,077 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-12-03T12:51:30,078 even if it does not contain any `.py` files. 2024-12-03T12:51:30,078 On the other hand, currently there is no concept of package data 2024-12-03T12:51:30,079 directory, all directories are treated like packages. 2024-12-03T12:51:30,079 ******************************************************************************** 2024-12-03T12:51:30,080 !! 2024-12-03T12:51:30,081 check.warn(importable) 2024-12-03T12:51:30,081 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:220: _Warning: Package 'streamd.scripts.mdp' is absent from the `packages` configuration. 2024-12-03T12:51:30,082 !! 2024-12-03T12:51:30,083 ******************************************************************************** 2024-12-03T12:51:30,084 ############################ 2024-12-03T12:51:30,084 # Package would be ignored # 2024-12-03T12:51:30,085 ############################ 2024-12-03T12:51:30,085 Python recognizes 'streamd.scripts.mdp' as an importable package[^1], 2024-12-03T12:51:30,086 but it is absent from setuptools' `packages` configuration. 2024-12-03T12:51:30,087 This leads to an ambiguous overall configuration. If you want to distribute this 2024-12-03T12:51:30,088 package, please make sure that 'streamd.scripts.mdp' is explicitly added 2024-12-03T12:51:30,088 to the `packages` configuration field. 2024-12-03T12:51:30,089 Alternatively, you can also rely on setuptools' discovery methods 2024-12-03T12:51:30,090 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-12-03T12:51:30,091 instead of `find_packages(...)`/`find:`). 2024-12-03T12:51:30,092 You can read more about "package discovery" on setuptools documentation page: 2024-12-03T12:51:30,093 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-12-03T12:51:30,094 If you don't want 'streamd.scripts.mdp' to be distributed and are 2024-12-03T12:51:30,094 already explicitly excluding 'streamd.scripts.mdp' via 2024-12-03T12:51:30,095 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-12-03T12:51:30,095 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-12-03T12:51:30,096 combination with a more fine grained `package-data` configuration. 2024-12-03T12:51:30,097 You can read more about "package data files" on setuptools documentation page: 2024-12-03T12:51:30,097 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-12-03T12:51:30,099 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-12-03T12:51:30,099 even if it does not contain any `.py` files. 2024-12-03T12:51:30,100 On the other hand, currently there is no concept of package data 2024-12-03T12:51:30,100 directory, all directories are treated like packages. 2024-12-03T12:51:30,101 ******************************************************************************** 2024-12-03T12:51:30,102 !! 2024-12-03T12:51:30,102 check.warn(importable) 2024-12-03T12:51:30,103 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:220: _Warning: Package 'streamd.scripts.script_sh' is absent from the `packages` configuration. 2024-12-03T12:51:30,103 !! 2024-12-03T12:51:30,104 ******************************************************************************** 2024-12-03T12:51:30,105 ############################ 2024-12-03T12:51:30,106 # Package would be ignored # 2024-12-03T12:51:30,107 ############################ 2024-12-03T12:51:30,107 Python recognizes 'streamd.scripts.script_sh' as an importable package[^1], 2024-12-03T12:51:30,108 but it is absent from setuptools' `packages` configuration. 2024-12-03T12:51:30,109 This leads to an ambiguous overall configuration. If you want to distribute this 2024-12-03T12:51:30,109 package, please make sure that 'streamd.scripts.script_sh' is explicitly added 2024-12-03T12:51:30,110 to the `packages` configuration field. 2024-12-03T12:51:30,111 Alternatively, you can also rely on setuptools' discovery methods 2024-12-03T12:51:30,112 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2024-12-03T12:51:30,112 instead of `find_packages(...)`/`find:`). 2024-12-03T12:51:30,113 You can read more about "package discovery" on setuptools documentation page: 2024-12-03T12:51:30,115 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2024-12-03T12:51:30,116 If you don't want 'streamd.scripts.script_sh' to be distributed and are 2024-12-03T12:51:30,116 already explicitly excluding 'streamd.scripts.script_sh' via 2024-12-03T12:51:30,117 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2024-12-03T12:51:30,117 you can try to use `exclude_package_data`, or `include-package-data=False` in 2024-12-03T12:51:30,118 combination with a more fine grained `package-data` configuration. 2024-12-03T12:51:30,119 You can read more about "package data files" on setuptools documentation page: 2024-12-03T12:51:30,121 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2024-12-03T12:51:30,123 [^1]: For Python, any directory (with suitable naming) can be imported, 2024-12-03T12:51:30,123 even if it does not contain any `.py` files. 2024-12-03T12:51:30,124 On the other hand, currently there is no concept of package data 2024-12-03T12:51:30,125 directory, all directories are treated like packages. 2024-12-03T12:51:30,125 ******************************************************************************** 2024-12-03T12:51:30,126 !! 2024-12-03T12:51:30,127 check.warn(importable) 2024-12-03T12:51:30,127 creating build/lib/streamd/example 2024-12-03T12:51:30,127 copying streamd/example/instructions.txt -> build/lib/streamd/example 2024-12-03T12:51:30,128 copying streamd/example/ligand.mol -> build/lib/streamd/example 2024-12-03T12:51:30,128 copying streamd/example/protein_HIS.pdb -> build/lib/streamd/example 2024-12-03T12:51:30,129 copying streamd/scripts/tleap.in -> build/lib/streamd/scripts 2024-12-03T12:51:30,129 creating build/lib/streamd/scripts/com 2024-12-03T12:51:30,130 copying streamd/scripts/com/1.com -> build/lib/streamd/scripts/com 2024-12-03T12:51:30,130 copying streamd/scripts/com/2.com -> build/lib/streamd/scripts/com 2024-12-03T12:51:30,131 copying streamd/scripts/com/3.com -> build/lib/streamd/scripts/com 2024-12-03T12:51:30,131 creating build/lib/streamd/scripts/gbsa 2024-12-03T12:51:30,132 copying streamd/scripts/gbsa/mmpbsa.in -> build/lib/streamd/scripts/gbsa 2024-12-03T12:51:30,132 creating build/lib/streamd/scripts/mcpbpy_scripts 2024-12-03T12:51:30,133 copying streamd/scripts/mcpbpy_scripts/protein.in -> build/lib/streamd/scripts/mcpbpy_scripts 2024-12-03T12:51:30,133 creating build/lib/streamd/scripts/mdp 2024-12-03T12:51:30,134 copying streamd/scripts/mdp/ions.mdp -> build/lib/streamd/scripts/mdp 2024-12-03T12:51:30,134 copying streamd/scripts/mdp/md.mdp -> build/lib/streamd/scripts/mdp 2024-12-03T12:51:30,135 copying streamd/scripts/mdp/minim.mdp -> build/lib/streamd/scripts/mdp 2024-12-03T12:51:30,135 copying streamd/scripts/mdp/npt.mdp -> build/lib/streamd/scripts/mdp 2024-12-03T12:51:30,136 copying streamd/scripts/mdp/nvt.mdp -> build/lib/streamd/scripts/mdp 2024-12-03T12:51:30,137 creating build/lib/streamd/scripts/script_sh 2024-12-03T12:51:30,137 copying streamd/scripts/script_sh/continue_md.sh -> build/lib/streamd/scripts/script_sh 2024-12-03T12:51:30,138 copying streamd/scripts/script_sh/equlibration.sh -> build/lib/streamd/scripts/script_sh 2024-12-03T12:51:30,139 copying streamd/scripts/script_sh/ligand_mol2prep.sh -> build/lib/streamd/scripts/script_sh 2024-12-03T12:51:30,139 copying streamd/scripts/script_sh/ligand_mol2prep_by_gaussian.sh -> build/lib/streamd/scripts/script_sh 2024-12-03T12:51:30,140 copying streamd/scripts/script_sh/ligand_prep.sh -> build/lib/streamd/scripts/script_sh 2024-12-03T12:51:30,140 copying streamd/scripts/script_sh/md.sh -> build/lib/streamd/scripts/script_sh 2024-12-03T12:51:30,141 copying streamd/scripts/script_sh/md_analysis.sh -> build/lib/streamd/scripts/script_sh 2024-12-03T12:51:30,141 copying streamd/scripts/script_sh/md_ligand_analysis.sh -> build/lib/streamd/scripts/script_sh 2024-12-03T12:51:30,142 copying streamd/scripts/script_sh/solv_ions.sh -> build/lib/streamd/scripts/script_sh 2024-12-03T12:51:30,143 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/cmd.py:66: SetuptoolsDeprecationWarning: setup.py install is deprecated. 2024-12-03T12:51:30,143 !! 2024-12-03T12:51:30,144 ******************************************************************************** 2024-12-03T12:51:30,145 Please avoid running ``setup.py`` directly. 2024-12-03T12:51:30,145 Instead, use pypa/build, pypa/installer or other 2024-12-03T12:51:30,146 standards-based tools. 2024-12-03T12:51:30,147 See https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.html for details. 2024-12-03T12:51:30,148 ******************************************************************************** 2024-12-03T12:51:30,149 !! 2024-12-03T12:51:30,150 self.initialize_options() 2024-12-03T12:51:30,164 installing to build/bdist.linux-armv7l/wheel 2024-12-03T12:51:30,164 running install 2024-12-03T12:51:30,188 running install_lib 2024-12-03T12:51:30,216 creating build/bdist.linux-armv7l/wheel 2024-12-03T12:51:30,219 creating build/bdist.linux-armv7l/wheel/streamd 2024-12-03T12:51:30,220 creating build/bdist.linux-armv7l/wheel/streamd/mcpbpy_md 2024-12-03T12:51:30,222 copying build/lib/streamd/mcpbpy_md/mcbpy_md.py -> build/bdist.linux-armv7l/wheel/./streamd/mcpbpy_md 2024-12-03T12:51:30,224 copying build/lib/streamd/mcpbpy_md/__init__.py -> build/bdist.linux-armv7l/wheel/./streamd/mcpbpy_md 2024-12-03T12:51:30,226 copying build/lib/streamd/run_gbsa.py -> build/bdist.linux-armv7l/wheel/./streamd 2024-12-03T12:51:30,229 creating build/bdist.linux-armv7l/wheel/streamd/prolif 2024-12-03T12:51:30,230 copying build/lib/streamd/prolif/prolif2png.py -> build/bdist.linux-armv7l/wheel/./streamd/prolif 2024-12-03T12:51:30,232 copying build/lib/streamd/prolif/run_prolif.py -> build/bdist.linux-armv7l/wheel/./streamd/prolif 2024-12-03T12:51:30,234 copying build/lib/streamd/prolif/__init__.py -> build/bdist.linux-armv7l/wheel/./streamd/prolif 2024-12-03T12:51:30,236 copying build/lib/streamd/prolif/prolif_frame_map.py -> build/bdist.linux-armv7l/wheel/./streamd/prolif 2024-12-03T12:51:30,238 copying build/lib/streamd/run_md.py -> build/bdist.linux-armv7l/wheel/./streamd 2024-12-03T12:51:30,242 creating build/bdist.linux-armv7l/wheel/streamd/example 2024-12-03T12:51:30,243 copying build/lib/streamd/example/ligand.mol -> build/bdist.linux-armv7l/wheel/./streamd/example 2024-12-03T12:51:30,245 copying build/lib/streamd/example/instructions.txt -> build/bdist.linux-armv7l/wheel/./streamd/example 2024-12-03T12:51:30,247 copying build/lib/streamd/example/protein_HIS.pdb -> build/bdist.linux-armv7l/wheel/./streamd/example 2024-12-03T12:51:30,256 creating build/bdist.linux-armv7l/wheel/streamd/analysis 2024-12-03T12:51:30,257 copying build/lib/streamd/analysis/xvg2png.py -> build/bdist.linux-armv7l/wheel/./streamd/analysis 2024-12-03T12:51:30,259 copying build/lib/streamd/analysis/md_system_analysis.py -> build/bdist.linux-armv7l/wheel/./streamd/analysis 2024-12-03T12:51:30,261 copying build/lib/streamd/analysis/run_analysis.py -> build/bdist.linux-armv7l/wheel/./streamd/analysis 2024-12-03T12:51:30,263 copying build/lib/streamd/analysis/plot_build.py -> build/bdist.linux-armv7l/wheel/./streamd/analysis 2024-12-03T12:51:30,265 copying build/lib/streamd/analysis/__init__.py -> build/bdist.linux-armv7l/wheel/./streamd/analysis 2024-12-03T12:51:30,267 creating build/bdist.linux-armv7l/wheel/streamd/scripts 2024-12-03T12:51:30,269 creating build/bdist.linux-armv7l/wheel/streamd/scripts/mcpbpy_scripts 2024-12-03T12:51:30,271 copying build/lib/streamd/scripts/mcpbpy_scripts/protein.in -> build/bdist.linux-armv7l/wheel/./streamd/scripts/mcpbpy_scripts 2024-12-03T12:51:30,272 copying build/lib/streamd/scripts/prepare_Gaussian_input.py -> build/bdist.linux-armv7l/wheel/./streamd/scripts 2024-12-03T12:51:30,275 copying build/lib/streamd/scripts/getcharge.py -> build/bdist.linux-armv7l/wheel/./streamd/scripts 2024-12-03T12:51:30,277 copying build/lib/streamd/scripts/mol2_fix_coordsbonds.py -> build/bdist.linux-armv7l/wheel/./streamd/scripts 2024-12-03T12:51:30,279 copying build/lib/streamd/scripts/pdb2mol.py -> build/bdist.linux-armv7l/wheel/./streamd/scripts 2024-12-03T12:51:30,281 creating build/bdist.linux-armv7l/wheel/streamd/scripts/com 2024-12-03T12:51:30,282 copying build/lib/streamd/scripts/com/2.com -> build/bdist.linux-armv7l/wheel/./streamd/scripts/com 2024-12-03T12:51:30,284 copying build/lib/streamd/scripts/com/1.com -> build/bdist.linux-armv7l/wheel/./streamd/scripts/com 2024-12-03T12:51:30,286 copying build/lib/streamd/scripts/com/3.com -> build/bdist.linux-armv7l/wheel/./streamd/scripts/com 2024-12-03T12:51:30,289 creating build/bdist.linux-armv7l/wheel/streamd/scripts/script_sh 2024-12-03T12:51:30,290 copying build/lib/streamd/scripts/script_sh/continue_md.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2024-12-03T12:51:30,292 copying build/lib/streamd/scripts/script_sh/ligand_prep.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2024-12-03T12:51:30,294 copying build/lib/streamd/scripts/script_sh/equlibration.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2024-12-03T12:51:30,295 copying build/lib/streamd/scripts/script_sh/md_analysis.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2024-12-03T12:51:30,297 copying build/lib/streamd/scripts/script_sh/solv_ions.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2024-12-03T12:51:30,299 copying build/lib/streamd/scripts/script_sh/ligand_mol2prep.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2024-12-03T12:51:30,301 copying build/lib/streamd/scripts/script_sh/ligand_mol2prep_by_gaussian.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2024-12-03T12:51:30,303 copying build/lib/streamd/scripts/script_sh/md_ligand_analysis.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2024-12-03T12:51:30,304 copying build/lib/streamd/scripts/script_sh/md.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2024-12-03T12:51:30,306 copying build/lib/streamd/scripts/tleap.in -> build/bdist.linux-armv7l/wheel/./streamd/scripts 2024-12-03T12:51:30,308 copying build/lib/streamd/scripts/__init__.py -> build/bdist.linux-armv7l/wheel/./streamd/scripts 2024-12-03T12:51:30,310 creating build/bdist.linux-armv7l/wheel/streamd/scripts/mdp 2024-12-03T12:51:30,311 copying build/lib/streamd/scripts/mdp/npt.mdp -> build/bdist.linux-armv7l/wheel/./streamd/scripts/mdp 2024-12-03T12:51:30,313 copying build/lib/streamd/scripts/mdp/minim.mdp -> build/bdist.linux-armv7l/wheel/./streamd/scripts/mdp 2024-12-03T12:51:30,315 copying build/lib/streamd/scripts/mdp/ions.mdp -> build/bdist.linux-armv7l/wheel/./streamd/scripts/mdp 2024-12-03T12:51:30,317 copying build/lib/streamd/scripts/mdp/md.mdp -> build/bdist.linux-armv7l/wheel/./streamd/scripts/mdp 2024-12-03T12:51:30,319 copying build/lib/streamd/scripts/mdp/nvt.mdp -> build/bdist.linux-armv7l/wheel/./streamd/scripts/mdp 2024-12-03T12:51:30,320 copying build/lib/streamd/scripts/pmed_amb2gmx.py -> build/bdist.linux-armv7l/wheel/./streamd/scripts 2024-12-03T12:51:30,323 creating build/bdist.linux-armv7l/wheel/streamd/scripts/gbsa 2024-12-03T12:51:30,324 copying build/lib/streamd/scripts/gbsa/mmpbsa.in -> build/bdist.linux-armv7l/wheel/./streamd/scripts/gbsa 2024-12-03T12:51:30,327 creating build/bdist.linux-armv7l/wheel/streamd/utils 2024-12-03T12:51:30,328 copying build/lib/streamd/utils/utils.py -> build/bdist.linux-armv7l/wheel/./streamd/utils 2024-12-03T12:51:30,330 copying build/lib/streamd/utils/__init__.py -> build/bdist.linux-armv7l/wheel/./streamd/utils 2024-12-03T12:51:30,331 copying build/lib/streamd/utils/dask_init.py -> build/bdist.linux-armv7l/wheel/./streamd/utils 2024-12-03T12:51:30,334 creating build/bdist.linux-armv7l/wheel/streamd/preparation 2024-12-03T12:51:30,335 copying build/lib/streamd/preparation/md_files_preparation.py -> build/bdist.linux-armv7l/wheel/./streamd/preparation 2024-12-03T12:51:30,338 copying build/lib/streamd/preparation/nonstandard_solvent_preparation.py -> build/bdist.linux-armv7l/wheel/./streamd/preparation 2024-12-03T12:51:30,339 copying build/lib/streamd/preparation/ligand_preparation.py -> build/bdist.linux-armv7l/wheel/./streamd/preparation 2024-12-03T12:51:30,342 copying build/lib/streamd/preparation/complex_preparation.py -> build/bdist.linux-armv7l/wheel/./streamd/preparation 2024-12-03T12:51:30,344 copying build/lib/streamd/preparation/__init__.py -> build/bdist.linux-armv7l/wheel/./streamd/preparation 2024-12-03T12:51:30,346 copying build/lib/streamd/preparation/mcpbpy_preparation.py -> build/bdist.linux-armv7l/wheel/./streamd/preparation 2024-12-03T12:51:30,348 copying build/lib/streamd/__init__.py -> build/bdist.linux-armv7l/wheel/./streamd 2024-12-03T12:51:30,350 running install_egg_info 2024-12-03T12:51:30,384 Copying streamd.egg-info to build/bdist.linux-armv7l/wheel/./streamd-0.2.8-py3.11.egg-info 2024-12-03T12:51:30,395 running install_scripts 2024-12-03T12:51:30,414 creating build/bdist.linux-armv7l/wheel/streamd-0.2.8.dist-info/WHEEL 2024-12-03T12:51:30,417 creating '/tmp/pip-wheel-o2inr14c/streamd-0.2.8-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2024-12-03T12:51:30,419 adding 'streamd/__init__.py' 2024-12-03T12:51:30,422 adding 'streamd/run_gbsa.py' 2024-12-03T12:51:30,426 adding 'streamd/run_md.py' 2024-12-03T12:51:30,428 adding 'streamd/analysis/__init__.py' 2024-12-03T12:51:30,430 adding 'streamd/analysis/md_system_analysis.py' 2024-12-03T12:51:30,432 adding 'streamd/analysis/plot_build.py' 2024-12-03T12:51:30,434 adding 'streamd/analysis/run_analysis.py' 2024-12-03T12:51:30,435 adding 'streamd/analysis/xvg2png.py' 2024-12-03T12:51:30,437 adding 'streamd/example/instructions.txt' 2024-12-03T12:51:30,439 adding 'streamd/example/ligand.mol' 2024-12-03T12:51:30,501 adding 'streamd/example/protein_HIS.pdb' 2024-12-03T12:51:30,505 adding 'streamd/mcpbpy_md/__init__.py' 2024-12-03T12:51:30,507 adding 'streamd/mcpbpy_md/mcbpy_md.py' 2024-12-03T12:51:30,508 adding 'streamd/preparation/__init__.py' 2024-12-03T12:51:30,510 adding 'streamd/preparation/complex_preparation.py' 2024-12-03T12:51:30,512 adding 'streamd/preparation/ligand_preparation.py' 2024-12-03T12:51:30,515 adding 'streamd/preparation/mcpbpy_preparation.py' 2024-12-03T12:51:30,516 adding 'streamd/preparation/md_files_preparation.py' 2024-12-03T12:51:30,518 adding 'streamd/preparation/nonstandard_solvent_preparation.py' 2024-12-03T12:51:30,519 adding 'streamd/prolif/__init__.py' 2024-12-03T12:51:30,521 adding 'streamd/prolif/prolif2png.py' 2024-12-03T12:51:30,522 adding 'streamd/prolif/prolif_frame_map.py' 2024-12-03T12:51:30,525 adding 'streamd/prolif/run_prolif.py' 2024-12-03T12:51:30,527 adding 'streamd/scripts/__init__.py' 2024-12-03T12:51:30,528 adding 'streamd/scripts/getcharge.py' 2024-12-03T12:51:30,529 adding 'streamd/scripts/mol2_fix_coordsbonds.py' 2024-12-03T12:51:30,531 adding 'streamd/scripts/pdb2mol.py' 2024-12-03T12:51:30,532 adding 'streamd/scripts/pmed_amb2gmx.py' 2024-12-03T12:51:30,533 adding 'streamd/scripts/prepare_Gaussian_input.py' 2024-12-03T12:51:30,534 adding 'streamd/scripts/tleap.in' 2024-12-03T12:51:30,536 adding 'streamd/scripts/com/1.com' 2024-12-03T12:51:30,537 adding 'streamd/scripts/com/2.com' 2024-12-03T12:51:30,538 adding 'streamd/scripts/com/3.com' 2024-12-03T12:51:30,540 adding 'streamd/scripts/gbsa/mmpbsa.in' 2024-12-03T12:51:30,542 adding 'streamd/scripts/mcpbpy_scripts/protein.in' 2024-12-03T12:51:30,544 adding 'streamd/scripts/mdp/ions.mdp' 2024-12-03T12:51:30,545 adding 'streamd/scripts/mdp/md.mdp' 2024-12-03T12:51:30,546 adding 'streamd/scripts/mdp/minim.mdp' 2024-12-03T12:51:30,548 adding 'streamd/scripts/mdp/npt.mdp' 2024-12-03T12:51:30,549 adding 'streamd/scripts/mdp/nvt.mdp' 2024-12-03T12:51:30,551 adding 'streamd/scripts/script_sh/continue_md.sh' 2024-12-03T12:51:30,553 adding 'streamd/scripts/script_sh/equlibration.sh' 2024-12-03T12:51:30,554 adding 'streamd/scripts/script_sh/ligand_mol2prep.sh' 2024-12-03T12:51:30,555 adding 'streamd/scripts/script_sh/ligand_mol2prep_by_gaussian.sh' 2024-12-03T12:51:30,557 adding 'streamd/scripts/script_sh/ligand_prep.sh' 2024-12-03T12:51:30,558 adding 'streamd/scripts/script_sh/md.sh' 2024-12-03T12:51:30,560 adding 'streamd/scripts/script_sh/md_analysis.sh' 2024-12-03T12:51:30,561 adding 'streamd/scripts/script_sh/md_ligand_analysis.sh' 2024-12-03T12:51:30,562 adding 'streamd/scripts/script_sh/solv_ions.sh' 2024-12-03T12:51:30,564 adding 'streamd/utils/__init__.py' 2024-12-03T12:51:30,566 adding 'streamd/utils/dask_init.py' 2024-12-03T12:51:30,567 adding 'streamd/utils/utils.py' 2024-12-03T12:51:30,569 adding 'streamd-0.2.8.dist-info/LICENSE.txt' 2024-12-03T12:51:30,574 adding 'streamd-0.2.8.dist-info/METADATA' 2024-12-03T12:51:30,575 adding 'streamd-0.2.8.dist-info/WHEEL' 2024-12-03T12:51:30,576 adding 'streamd-0.2.8.dist-info/entry_points.txt' 2024-12-03T12:51:30,577 adding 'streamd-0.2.8.dist-info/top_level.txt' 2024-12-03T12:51:30,579 adding 'streamd-0.2.8.dist-info/RECORD' 2024-12-03T12:51:30,583 removing build/bdist.linux-armv7l/wheel 2024-12-03T12:51:30,711 Building wheel for streamd (setup.py): finished with status 'done' 2024-12-03T12:51:30,716 Created wheel for streamd: filename=streamd-0.2.8-py3-none-any.whl size=165268 sha256=a342054bdd211653becf34ee37509df59f9e3cc54a5ff152aff02627d172df19 2024-12-03T12:51:30,717 Stored in directory: /tmp/pip-ephem-wheel-cache-jysgjdzt/wheels/e9/fd/2c/f07ae23ff55d57bc69fb9e4c9bc23e5c33a9fb38acd5bd1f8c 2024-12-03T12:51:30,735 Successfully built streamd 2024-12-03T12:51:30,744 Removed build tracker: '/tmp/pip-build-tracker-qv3_87bk'