2026-02-14T09:04:30,557 Created temporary directory: /tmp/pip-ephem-wheel-cache-k973iaxs 2026-02-14T09:04:30,558 Created temporary directory: /tmp/pip-build-tracker-_873qafj 2026-02-14T09:04:30,559 Initialized build tracking at /tmp/pip-build-tracker-_873qafj 2026-02-14T09:04:30,559 Created build tracker: /tmp/pip-build-tracker-_873qafj 2026-02-14T09:04:30,560 Entered build tracker: /tmp/pip-build-tracker-_873qafj 2026-02-14T09:04:30,561 Created temporary directory: /tmp/pip-wheel-s8e6oxac 2026-02-14T09:04:30,563 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 2026-02-14T09:04:30,566 Created temporary directory: /tmp/pip-ephem-wheel-cache-_zdiv_bu 2026-02-14T09:04:30,588 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2026-02-14T09:04:30,591 2 location(s) to search for versions of streamd: 2026-02-14T09:04:30,591 * https://pypi.org/simple/streamd/ 2026-02-14T09:04:30,591 * https://www.piwheels.org/simple/streamd/ 2026-02-14T09:04:30,592 Fetching project page and analyzing links: https://pypi.org/simple/streamd/ 2026-02-14T09:04:30,593 Getting page https://pypi.org/simple/streamd/ 2026-02-14T09:04:30,594 Found index url https://pypi.org/simple 2026-02-14T09:04:30,815 Fetched page https://pypi.org/simple/streamd/ as application/vnd.pypi.simple.v1+json 2026-02-14T09:04:30,819 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 2026-02-14T09:04:30,820 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 2026-02-14T09:04:30,821 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) 2026-02-14T09:04:30,822 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 2026-02-14T09:04:30,823 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) 2026-02-14T09:04:30,824 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 2026-02-14T09:04:30,825 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) 2026-02-14T09:04:30,826 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 2026-02-14T09:04:30,827 Skipping link: No binaries permitted for streamd: https://files.pythonhosted.org/packages/0d/0e/56e8fb1a84d82e7f36c107fd07d780f29b3be32de62ab14af1cd1ebf030b/streamd-0.2.9-py3-none-any.whl (from https://pypi.org/simple/streamd/) (requires-python:>=3.6) 2026-02-14T09:04:30,827 Found link https://files.pythonhosted.org/packages/4b/a2/ba16665fe440ea86118621cdcd0510b4d700139c70b1b2597469cbc652c5/streamd-0.2.9.tar.gz (from https://pypi.org/simple/streamd/) (requires-python:>=3.6), version: 0.2.9 2026-02-14T09:04:30,828 Skipping link: No binaries permitted for streamd: https://files.pythonhosted.org/packages/53/88/c0feb4fb4b51196ef79a72380bb22ec9b2e2f0674f034e2520aba9d563eb/streamd-0.3-py3-none-any.whl (from https://pypi.org/simple/streamd/) (requires-python:>=3.6) 2026-02-14T09:04:30,829 Found link https://files.pythonhosted.org/packages/bf/ba/70cf2cfbe64e43048424f29dd196db07250247d0aae797fb5a083054e3fe/streamd-0.3.tar.gz (from https://pypi.org/simple/streamd/) (requires-python:>=3.6), version: 0.3 2026-02-14T09:04:30,830 Skipping link: No binaries permitted for streamd: https://files.pythonhosted.org/packages/d9/8c/3204260f6b7c1a12eda43b914f90ea2a79e896c072dc6e9230ea1beae77a/streamd-0.4-py3-none-any.whl (from https://pypi.org/simple/streamd/) (requires-python:>=3.6) 2026-02-14T09:04:30,831 Found link https://files.pythonhosted.org/packages/bd/90/bae892ae6c75b409a16281d5d0c5f3cb6d68711e349160cf6a277e6ac164/streamd-0.4.tar.gz (from https://pypi.org/simple/streamd/) (requires-python:>=3.6), version: 0.4 2026-02-14T09:04:30,831 Skipping link: No binaries permitted for streamd: https://files.pythonhosted.org/packages/19/22/781e35e924eb021c95fcfd3301f7305d1a3a10c2bd3ad5c34eb2c2ff80b5/streamd-0.4.1-py3-none-any.whl (from https://pypi.org/simple/streamd/) (requires-python:>=3.6) 2026-02-14T09:04:30,832 Found link https://files.pythonhosted.org/packages/4b/52/a7c8d8f9516c8776a9c75ca0438e955cbc0899e6c12279080735dd580832/streamd-0.4.1.tar.gz (from https://pypi.org/simple/streamd/) (requires-python:>=3.6), version: 0.4.1 2026-02-14T09:04:30,833 Found link https://files.pythonhosted.org/packages/37/69/c3b9f75bb3895ae9124100df8088d6989595d397560edbc051a0e12569c9/streamd-0.5.tar.gz (from https://pypi.org/simple/streamd/) (requires-python:>=3.6), version: 0.5 2026-02-14T09:04:30,834 Fetching project page and analyzing links: https://www.piwheels.org/simple/streamd/ 2026-02-14T09:04:30,835 Getting page https://www.piwheels.org/simple/streamd/ 2026-02-14T09:04:30,836 Found index url https://www.piwheels.org/simple 2026-02-14T09:04:30,989 Fetched page https://www.piwheels.org/simple/streamd/ as text/html 2026-02-14T09:04:30,993 Skipping link: No binaries permitted for streamd: https://www.piwheels.org/simple/streamd/streamd-0.4.1-py3-none-any.whl#sha256=c80c87fbbc88e6ba69ce26cafce92ef19566c7349fd066d1e69e520d768b6f07 (from https://www.piwheels.org/simple/streamd/) (requires-python:>=3.6) 2026-02-14T09:04:30,993 Skipping link: No binaries permitted for streamd: https://archive1.piwheels.org/simple/streamd/streamd-0.4-py3-none-any.whl#sha256=afe1d3fb1d27b1f0bd3458d12ac85ed21d9eea86ae3f2a022a0a77607c5e5bb9 (from https://www.piwheels.org/simple/streamd/) (requires-python:>=3.6) 2026-02-14T09:04:30,994 Skipping link: No binaries permitted for streamd: https://archive1.piwheels.org/simple/streamd/streamd-0.3-py3-none-any.whl#sha256=2bf8c22e8b7ef687a394e66f26ce21ad2982fa8c67b633298d4e929f198753f2 (from https://www.piwheels.org/simple/streamd/) (requires-python:>=3.6) 2026-02-14T09:04:30,995 Skipping link: No binaries permitted for streamd: https://archive1.piwheels.org/simple/streamd/streamd-0.2.9-py3-none-any.whl#sha256=2f5cf07ac089ea46fefb860397b396a55254233e996ad7572c92226ed1d2dfc4 (from https://www.piwheels.org/simple/streamd/) (requires-python:>=3.6) 2026-02-14T09:04:30,995 Skipping link: No binaries permitted for streamd: https://archive1.piwheels.org/simple/streamd/streamd-0.2.8-py3-none-any.whl#sha256=a342054bdd211653becf34ee37509df59f9e3cc54a5ff152aff02627d172df19 (from https://www.piwheels.org/simple/streamd/) (requires-python:>=3.6) 2026-02-14T09:04:30,996 Skipping link: No binaries permitted for streamd: https://archive1.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) 2026-02-14T09:04:30,996 Skipping link: No binaries permitted for streamd: https://archive1.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) 2026-02-14T09:04:30,997 Skipping link: No binaries permitted for streamd: https://archive1.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) 2026-02-14T09:04:30,998 Skipping link: No binaries permitted for streamd: https://archive1.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) 2026-02-14T09:04:30,998 Skipping link: not a file: https://www.piwheels.org/simple/streamd/ 2026-02-14T09:04:30,999 Skipping link: not a file: https://pypi.org/simple/streamd/ 2026-02-14T09:04:31,019 Given no hashes to check 1 links for project 'streamd': discarding no candidates 2026-02-14T09:04:31,039 Collecting streamd==0.5 2026-02-14T09:04:31,041 Created temporary directory: /tmp/pip-unpack-mctlxnux 2026-02-14T09:04:31,171 Downloading streamd-0.5.tar.gz (168 kB) 2026-02-14T09:04:31,432 Added streamd==0.5 from https://files.pythonhosted.org/packages/37/69/c3b9f75bb3895ae9124100df8088d6989595d397560edbc051a0e12569c9/streamd-0.5.tar.gz to build tracker '/tmp/pip-build-tracker-_873qafj' 2026-02-14T09:04:31,434 Running setup.py (path:/tmp/pip-wheel-s8e6oxac/streamd_8719f33c176848a68a600a3b42748595/setup.py) egg_info for package streamd 2026-02-14T09:04:31,434 Created temporary directory: /tmp/pip-pip-egg-info-oisrgehc 2026-02-14T09:04:31,435 Preparing metadata (setup.py): started 2026-02-14T09:04:31,436 Running command python setup.py egg_info 2026-02-14T09:04:32,318 running egg_info 2026-02-14T09:04:32,345 creating /tmp/pip-pip-egg-info-oisrgehc/streamd.egg-info 2026-02-14T09:04:32,346 writing /tmp/pip-pip-egg-info-oisrgehc/streamd.egg-info/PKG-INFO 2026-02-14T09:04:32,350 writing dependency_links to /tmp/pip-pip-egg-info-oisrgehc/streamd.egg-info/dependency_links.txt 2026-02-14T09:04:32,352 writing entry points to /tmp/pip-pip-egg-info-oisrgehc/streamd.egg-info/entry_points.txt 2026-02-14T09:04:32,354 writing requirements to /tmp/pip-pip-egg-info-oisrgehc/streamd.egg-info/requires.txt 2026-02-14T09:04:32,355 writing top-level names to /tmp/pip-pip-egg-info-oisrgehc/streamd.egg-info/top_level.txt 2026-02-14T09:04:32,357 writing manifest file '/tmp/pip-pip-egg-info-oisrgehc/streamd.egg-info/SOURCES.txt' 2026-02-14T09:04:32,454 reading manifest file '/tmp/pip-pip-egg-info-oisrgehc/streamd.egg-info/SOURCES.txt' 2026-02-14T09:04:32,456 reading manifest template 'MANIFEST.in' 2026-02-14T09:04:32,461 adding license file 'LICENSE.txt' 2026-02-14T09:04:32,465 writing manifest file '/tmp/pip-pip-egg-info-oisrgehc/streamd.egg-info/SOURCES.txt' 2026-02-14T09:04:32,572 Preparing metadata (setup.py): finished with status 'done' 2026-02-14T09:04:32,575 Source in /tmp/pip-wheel-s8e6oxac/streamd_8719f33c176848a68a600a3b42748595 has version 0.5, which satisfies requirement streamd==0.5 from https://files.pythonhosted.org/packages/37/69/c3b9f75bb3895ae9124100df8088d6989595d397560edbc051a0e12569c9/streamd-0.5.tar.gz 2026-02-14T09:04:32,576 Removed streamd==0.5 from https://files.pythonhosted.org/packages/37/69/c3b9f75bb3895ae9124100df8088d6989595d397560edbc051a0e12569c9/streamd-0.5.tar.gz from build tracker '/tmp/pip-build-tracker-_873qafj' 2026-02-14T09:04:32,582 Created temporary directory: /tmp/pip-unpack-g9u984d0 2026-02-14T09:04:32,583 Building wheels for collected packages: streamd 2026-02-14T09:04:32,588 Created temporary directory: /tmp/pip-wheel-phyd4nd1 2026-02-14T09:04:32,589 Building wheel for streamd (setup.py): started 2026-02-14T09:04:32,591 Destination directory: /tmp/pip-wheel-phyd4nd1 2026-02-14T09:04:32,591 Running command python setup.py bdist_wheel 2026-02-14T09:04:33,440 running bdist_wheel 2026-02-14T09:04:33,574 running build 2026-02-14T09:04:33,574 running build_py 2026-02-14T09:04:33,608 creating build/lib/streamd 2026-02-14T09:04:33,611 copying streamd/__init__.py -> build/lib/streamd 2026-02-14T09:04:33,613 copying streamd/run_md.py -> build/lib/streamd 2026-02-14T09:04:33,616 copying streamd/run_gbsa.py -> build/lib/streamd 2026-02-14T09:04:33,620 creating build/lib/streamd/prolif 2026-02-14T09:04:33,621 copying streamd/prolif/__init__.py -> build/lib/streamd/prolif 2026-02-14T09:04:33,623 copying streamd/prolif/run_prolif.py -> build/lib/streamd/prolif 2026-02-14T09:04:33,626 copying streamd/prolif/prolif_frame_map.py -> build/lib/streamd/prolif 2026-02-14T09:04:33,628 copying streamd/prolif/prolif2png.py -> build/lib/streamd/prolif 2026-02-14T09:04:33,631 creating build/lib/streamd/utils 2026-02-14T09:04:33,631 copying streamd/utils/__init__.py -> build/lib/streamd/utils 2026-02-14T09:04:33,634 copying streamd/utils/dask_init.py -> build/lib/streamd/utils 2026-02-14T09:04:33,636 copying streamd/utils/utils.py -> build/lib/streamd/utils 2026-02-14T09:04:33,639 creating build/lib/streamd/tests 2026-02-14T09:04:33,640 copying streamd/tests/analysis_test.py -> build/lib/streamd/tests 2026-02-14T09:04:33,643 copying streamd/tests/__init__.py -> build/lib/streamd/tests 2026-02-14T09:04:33,644 copying streamd/tests/prolif_test.py -> build/lib/streamd/tests 2026-02-14T09:04:33,647 copying streamd/tests/md_test.py -> build/lib/streamd/tests 2026-02-14T09:04:33,649 copying streamd/tests/plot_build_test.py -> build/lib/streamd/tests 2026-02-14T09:04:33,651 copying streamd/tests/system_name_test.py -> build/lib/streamd/tests 2026-02-14T09:04:33,653 copying streamd/tests/conftest.py -> build/lib/streamd/tests 2026-02-14T09:04:33,655 copying streamd/tests/preparation_test.py -> build/lib/streamd/tests 2026-02-14T09:04:33,657 copying streamd/tests/decomp_dat_parser_test.py -> build/lib/streamd/tests 2026-02-14T09:04:33,659 copying streamd/tests/import_test.py -> build/lib/streamd/tests 2026-02-14T09:04:33,661 copying streamd/tests/config_cli_test.py -> build/lib/streamd/tests 2026-02-14T09:04:33,663 copying streamd/tests/gbsa_test.py -> build/lib/streamd/tests 2026-02-14T09:04:33,666 creating build/lib/streamd/analysis 2026-02-14T09:04:33,667 copying streamd/analysis/__init__.py -> build/lib/streamd/analysis 2026-02-14T09:04:33,669 copying streamd/analysis/xvg2png.py -> build/lib/streamd/analysis 2026-02-14T09:04:33,671 copying streamd/analysis/md_system_analysis.py -> build/lib/streamd/analysis 2026-02-14T09:04:33,674 copying streamd/analysis/plot_build.py -> build/lib/streamd/analysis 2026-02-14T09:04:33,676 copying streamd/analysis/run_analysis.py -> build/lib/streamd/analysis 2026-02-14T09:04:33,679 creating build/lib/streamd/preparation 2026-02-14T09:04:33,680 copying streamd/preparation/__init__.py -> build/lib/streamd/preparation 2026-02-14T09:04:33,683 copying streamd/preparation/mcpbpy_preparation.py -> build/lib/streamd/preparation 2026-02-14T09:04:33,685 copying streamd/preparation/complex_preparation.py -> build/lib/streamd/preparation 2026-02-14T09:04:33,688 copying streamd/preparation/nonstandard_solvent_preparation.py -> build/lib/streamd/preparation 2026-02-14T09:04:33,689 copying streamd/preparation/ligand_preparation.py -> build/lib/streamd/preparation 2026-02-14T09:04:33,692 copying streamd/preparation/md_files_preparation.py -> build/lib/streamd/preparation 2026-02-14T09:04:33,695 creating build/lib/streamd/scripts 2026-02-14T09:04:33,696 copying streamd/scripts/pmed_amb2gmx.py -> build/lib/streamd/scripts 2026-02-14T09:04:33,699 copying streamd/scripts/__init__.py -> build/lib/streamd/scripts 2026-02-14T09:04:33,700 copying streamd/scripts/getcharge.py -> build/lib/streamd/scripts 2026-02-14T09:04:33,702 copying streamd/scripts/pdb2mol.py -> build/lib/streamd/scripts 2026-02-14T09:04:33,705 copying streamd/scripts/prepare_Gaussian_input.py -> build/lib/streamd/scripts 2026-02-14T09:04:33,707 copying streamd/scripts/mol2_fix_coordsbonds.py -> build/lib/streamd/scripts 2026-02-14T09:04:33,710 creating build/lib/streamd/mcpbpy_md 2026-02-14T09:04:33,711 copying streamd/mcpbpy_md/__init__.py -> build/lib/streamd/mcpbpy_md 2026-02-14T09:04:33,713 copying streamd/mcpbpy_md/mcbpy_md.py -> build/lib/streamd/mcpbpy_md 2026-02-14T09:04:33,715 running egg_info 2026-02-14T09:04:33,743 writing streamd.egg-info/PKG-INFO 2026-02-14T09:04:33,747 writing dependency_links to streamd.egg-info/dependency_links.txt 2026-02-14T09:04:33,749 writing entry points to streamd.egg-info/entry_points.txt 2026-02-14T09:04:33,750 writing requirements to streamd.egg-info/requires.txt 2026-02-14T09:04:33,752 writing top-level names to streamd.egg-info/top_level.txt 2026-02-14T09:04:33,788 reading manifest file 'streamd.egg-info/SOURCES.txt' 2026-02-14T09:04:33,794 reading manifest template 'MANIFEST.in' 2026-02-14T09:04:33,798 adding license file 'LICENSE.txt' 2026-02-14T09:04:33,803 writing manifest file 'streamd.egg-info/SOURCES.txt' 2026-02-14T09:04:33,805 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'streamd.example' is absent from the `packages` configuration. 2026-02-14T09:04:33,806 !! 2026-02-14T09:04:33,807 ******************************************************************************** 2026-02-14T09:04:33,808 ############################ 2026-02-14T09:04:33,808 # Package would be ignored # 2026-02-14T09:04:33,808 ############################ 2026-02-14T09:04:33,809 Python recognizes 'streamd.example' as an importable package[^1], 2026-02-14T09:04:33,809 but it is absent from setuptools' `packages` configuration. 2026-02-14T09:04:33,810 This leads to an ambiguous overall configuration. If you want to distribute this 2026-02-14T09:04:33,811 package, please make sure that 'streamd.example' is explicitly added 2026-02-14T09:04:33,812 to the `packages` configuration field. 2026-02-14T09:04:33,813 Alternatively, you can also rely on setuptools' discovery methods 2026-02-14T09:04:33,813 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-02-14T09:04:33,814 instead of `find_packages(...)`/`find:`). 2026-02-14T09:04:33,815 You can read more about "package discovery" on setuptools documentation page: 2026-02-14T09:04:33,816 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-02-14T09:04:33,817 If you don't want 'streamd.example' to be distributed and are 2026-02-14T09:04:33,817 already explicitly excluding 'streamd.example' via 2026-02-14T09:04:33,818 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-02-14T09:04:33,818 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-02-14T09:04:33,819 combination with a more fine grained `package-data` configuration. 2026-02-14T09:04:33,820 You can read more about "package data files" on setuptools documentation page: 2026-02-14T09:04:33,821 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-02-14T09:04:33,823 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-02-14T09:04:33,823 even if it does not contain any `.py` files. 2026-02-14T09:04:33,824 On the other hand, currently there is no concept of package data 2026-02-14T09:04:33,826 directory, all directories are treated like packages. 2026-02-14T09:04:33,828 ******************************************************************************** 2026-02-14T09:04:33,829 !! 2026-02-14T09:04:33,830 check.warn(importable) 2026-02-14T09:04:33,831 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'streamd.scripts.com' is absent from the `packages` configuration. 2026-02-14T09:04:33,831 !! 2026-02-14T09:04:33,832 ******************************************************************************** 2026-02-14T09:04:33,833 ############################ 2026-02-14T09:04:33,834 # Package would be ignored # 2026-02-14T09:04:33,834 ############################ 2026-02-14T09:04:33,835 Python recognizes 'streamd.scripts.com' as an importable package[^1], 2026-02-14T09:04:33,836 but it is absent from setuptools' `packages` configuration. 2026-02-14T09:04:33,837 This leads to an ambiguous overall configuration. If you want to distribute this 2026-02-14T09:04:33,837 package, please make sure that 'streamd.scripts.com' is explicitly added 2026-02-14T09:04:33,838 to the `packages` configuration field. 2026-02-14T09:04:33,840 Alternatively, you can also rely on setuptools' discovery methods 2026-02-14T09:04:33,840 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-02-14T09:04:33,841 instead of `find_packages(...)`/`find:`). 2026-02-14T09:04:33,842 You can read more about "package discovery" on setuptools documentation page: 2026-02-14T09:04:33,843 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-02-14T09:04:33,844 If you don't want 'streamd.scripts.com' to be distributed and are 2026-02-14T09:04:33,845 already explicitly excluding 'streamd.scripts.com' via 2026-02-14T09:04:33,846 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-02-14T09:04:33,846 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-02-14T09:04:33,847 combination with a more fine grained `package-data` configuration. 2026-02-14T09:04:33,848 You can read more about "package data files" on setuptools documentation page: 2026-02-14T09:04:33,849 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-02-14T09:04:33,851 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-02-14T09:04:33,852 even if it does not contain any `.py` files. 2026-02-14T09:04:33,852 On the other hand, currently there is no concept of package data 2026-02-14T09:04:33,853 directory, all directories are treated like packages. 2026-02-14T09:04:33,853 ******************************************************************************** 2026-02-14T09:04:33,855 !! 2026-02-14T09:04:33,855 check.warn(importable) 2026-02-14T09:04:33,856 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'streamd.scripts.gbsa' is absent from the `packages` configuration. 2026-02-14T09:04:33,856 !! 2026-02-14T09:04:33,858 ******************************************************************************** 2026-02-14T09:04:33,858 ############################ 2026-02-14T09:04:33,859 # Package would be ignored # 2026-02-14T09:04:33,860 ############################ 2026-02-14T09:04:33,860 Python recognizes 'streamd.scripts.gbsa' as an importable package[^1], 2026-02-14T09:04:33,861 but it is absent from setuptools' `packages` configuration. 2026-02-14T09:04:33,863 This leads to an ambiguous overall configuration. If you want to distribute this 2026-02-14T09:04:33,864 package, please make sure that 'streamd.scripts.gbsa' is explicitly added 2026-02-14T09:04:33,864 to the `packages` configuration field. 2026-02-14T09:04:33,866 Alternatively, you can also rely on setuptools' discovery methods 2026-02-14T09:04:33,866 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-02-14T09:04:33,867 instead of `find_packages(...)`/`find:`). 2026-02-14T09:04:33,868 You can read more about "package discovery" on setuptools documentation page: 2026-02-14T09:04:33,870 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-02-14T09:04:33,871 If you don't want 'streamd.scripts.gbsa' to be distributed and are 2026-02-14T09:04:33,872 already explicitly excluding 'streamd.scripts.gbsa' via 2026-02-14T09:04:33,873 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-02-14T09:04:33,873 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-02-14T09:04:33,874 combination with a more fine grained `package-data` configuration. 2026-02-14T09:04:33,875 You can read more about "package data files" on setuptools documentation page: 2026-02-14T09:04:33,877 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-02-14T09:04:33,879 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-02-14T09:04:33,880 even if it does not contain any `.py` files. 2026-02-14T09:04:33,881 On the other hand, currently there is no concept of package data 2026-02-14T09:04:33,882 directory, all directories are treated like packages. 2026-02-14T09:04:33,883 ******************************************************************************** 2026-02-14T09:04:33,884 !! 2026-02-14T09:04:33,885 check.warn(importable) 2026-02-14T09:04:33,886 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'streamd.scripts.mcpbpy_scripts' is absent from the `packages` configuration. 2026-02-14T09:04:33,887 !! 2026-02-14T09:04:33,888 ******************************************************************************** 2026-02-14T09:04:33,889 ############################ 2026-02-14T09:04:33,891 # Package would be ignored # 2026-02-14T09:04:33,891 ############################ 2026-02-14T09:04:33,892 Python recognizes 'streamd.scripts.mcpbpy_scripts' as an importable package[^1], 2026-02-14T09:04:33,893 but it is absent from setuptools' `packages` configuration. 2026-02-14T09:04:33,895 This leads to an ambiguous overall configuration. If you want to distribute this 2026-02-14T09:04:33,896 package, please make sure that 'streamd.scripts.mcpbpy_scripts' is explicitly added 2026-02-14T09:04:33,896 to the `packages` configuration field. 2026-02-14T09:04:33,898 Alternatively, you can also rely on setuptools' discovery methods 2026-02-14T09:04:33,899 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-02-14T09:04:33,900 instead of `find_packages(...)`/`find:`). 2026-02-14T09:04:33,902 You can read more about "package discovery" on setuptools documentation page: 2026-02-14T09:04:33,904 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-02-14T09:04:33,905 If you don't want 'streamd.scripts.mcpbpy_scripts' to be distributed and are 2026-02-14T09:04:33,905 already explicitly excluding 'streamd.scripts.mcpbpy_scripts' via 2026-02-14T09:04:33,906 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-02-14T09:04:33,907 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-02-14T09:04:33,907 combination with a more fine grained `package-data` configuration. 2026-02-14T09:04:33,909 You can read more about "package data files" on setuptools documentation page: 2026-02-14T09:04:33,910 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-02-14T09:04:33,912 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-02-14T09:04:33,913 even if it does not contain any `.py` files. 2026-02-14T09:04:33,914 On the other hand, currently there is no concept of package data 2026-02-14T09:04:33,915 directory, all directories are treated like packages. 2026-02-14T09:04:33,915 ******************************************************************************** 2026-02-14T09:04:33,917 !! 2026-02-14T09:04:33,917 check.warn(importable) 2026-02-14T09:04:33,918 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'streamd.scripts.mdp' is absent from the `packages` configuration. 2026-02-14T09:04:33,918 !! 2026-02-14T09:04:33,919 ******************************************************************************** 2026-02-14T09:04:33,920 ############################ 2026-02-14T09:04:33,920 # Package would be ignored # 2026-02-14T09:04:33,921 ############################ 2026-02-14T09:04:33,921 Python recognizes 'streamd.scripts.mdp' as an importable package[^1], 2026-02-14T09:04:33,922 but it is absent from setuptools' `packages` configuration. 2026-02-14T09:04:33,923 This leads to an ambiguous overall configuration. If you want to distribute this 2026-02-14T09:04:33,923 package, please make sure that 'streamd.scripts.mdp' is explicitly added 2026-02-14T09:04:33,924 to the `packages` configuration field. 2026-02-14T09:04:33,925 Alternatively, you can also rely on setuptools' discovery methods 2026-02-14T09:04:33,925 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-02-14T09:04:33,925 instead of `find_packages(...)`/`find:`). 2026-02-14T09:04:33,926 You can read more about "package discovery" on setuptools documentation page: 2026-02-14T09:04:33,927 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-02-14T09:04:33,929 If you don't want 'streamd.scripts.mdp' to be distributed and are 2026-02-14T09:04:33,929 already explicitly excluding 'streamd.scripts.mdp' via 2026-02-14T09:04:33,930 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-02-14T09:04:33,930 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-02-14T09:04:33,931 combination with a more fine grained `package-data` configuration. 2026-02-14T09:04:33,932 You can read more about "package data files" on setuptools documentation page: 2026-02-14T09:04:33,933 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-02-14T09:04:33,935 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-02-14T09:04:33,936 even if it does not contain any `.py` files. 2026-02-14T09:04:33,937 On the other hand, currently there is no concept of package data 2026-02-14T09:04:33,937 directory, all directories are treated like packages. 2026-02-14T09:04:33,938 ******************************************************************************** 2026-02-14T09:04:33,939 !! 2026-02-14T09:04:33,940 check.warn(importable) 2026-02-14T09:04:33,940 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'streamd.scripts.script_sh' is absent from the `packages` configuration. 2026-02-14T09:04:33,941 !! 2026-02-14T09:04:33,942 ******************************************************************************** 2026-02-14T09:04:33,943 ############################ 2026-02-14T09:04:33,943 # Package would be ignored # 2026-02-14T09:04:33,944 ############################ 2026-02-14T09:04:33,945 Python recognizes 'streamd.scripts.script_sh' as an importable package[^1], 2026-02-14T09:04:33,945 but it is absent from setuptools' `packages` configuration. 2026-02-14T09:04:33,946 This leads to an ambiguous overall configuration. If you want to distribute this 2026-02-14T09:04:33,947 package, please make sure that 'streamd.scripts.script_sh' is explicitly added 2026-02-14T09:04:33,948 to the `packages` configuration field. 2026-02-14T09:04:33,949 Alternatively, you can also rely on setuptools' discovery methods 2026-02-14T09:04:33,950 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-02-14T09:04:33,950 instead of `find_packages(...)`/`find:`). 2026-02-14T09:04:33,951 You can read more about "package discovery" on setuptools documentation page: 2026-02-14T09:04:33,952 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-02-14T09:04:33,953 If you don't want 'streamd.scripts.script_sh' to be distributed and are 2026-02-14T09:04:33,954 already explicitly excluding 'streamd.scripts.script_sh' via 2026-02-14T09:04:33,954 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-02-14T09:04:33,955 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-02-14T09:04:33,955 combination with a more fine grained `package-data` configuration. 2026-02-14T09:04:33,956 You can read more about "package data files" on setuptools documentation page: 2026-02-14T09:04:33,957 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-02-14T09:04:33,959 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-02-14T09:04:33,959 even if it does not contain any `.py` files. 2026-02-14T09:04:33,960 On the other hand, currently there is no concept of package data 2026-02-14T09:04:33,960 directory, all directories are treated like packages. 2026-02-14T09:04:33,961 ******************************************************************************** 2026-02-14T09:04:33,962 !! 2026-02-14T09:04:33,962 check.warn(importable) 2026-02-14T09:04:33,963 creating build/lib/streamd/example 2026-02-14T09:04:33,964 copying streamd/example/instructions.txt -> build/lib/streamd/example 2026-02-14T09:04:33,964 copying streamd/example/ligand.mol -> build/lib/streamd/example 2026-02-14T09:04:33,965 copying streamd/example/protein_HIS.pdb -> build/lib/streamd/example 2026-02-14T09:04:33,965 copying streamd/scripts/tleap.in -> build/lib/streamd/scripts 2026-02-14T09:04:33,966 creating build/lib/streamd/scripts/com 2026-02-14T09:04:33,967 copying streamd/scripts/com/1.com -> build/lib/streamd/scripts/com 2026-02-14T09:04:33,967 copying streamd/scripts/com/2.com -> build/lib/streamd/scripts/com 2026-02-14T09:04:33,968 copying streamd/scripts/com/3.com -> build/lib/streamd/scripts/com 2026-02-14T09:04:33,968 creating build/lib/streamd/scripts/gbsa 2026-02-14T09:04:33,969 copying streamd/scripts/gbsa/mmpbsa.in -> build/lib/streamd/scripts/gbsa 2026-02-14T09:04:33,969 creating build/lib/streamd/scripts/mcpbpy_scripts 2026-02-14T09:04:33,970 copying streamd/scripts/mcpbpy_scripts/protein.in -> build/lib/streamd/scripts/mcpbpy_scripts 2026-02-14T09:04:33,971 creating build/lib/streamd/scripts/mdp 2026-02-14T09:04:33,971 copying streamd/scripts/mdp/ions.mdp -> build/lib/streamd/scripts/mdp 2026-02-14T09:04:33,972 copying streamd/scripts/mdp/md.mdp -> build/lib/streamd/scripts/mdp 2026-02-14T09:04:33,972 copying streamd/scripts/mdp/minim.mdp -> build/lib/streamd/scripts/mdp 2026-02-14T09:04:33,973 copying streamd/scripts/mdp/npt.mdp -> build/lib/streamd/scripts/mdp 2026-02-14T09:04:33,974 copying streamd/scripts/mdp/nvt.mdp -> build/lib/streamd/scripts/mdp 2026-02-14T09:04:33,974 creating build/lib/streamd/scripts/script_sh 2026-02-14T09:04:33,975 copying streamd/scripts/script_sh/continue_md.sh -> build/lib/streamd/scripts/script_sh 2026-02-14T09:04:33,975 copying streamd/scripts/script_sh/equlibration.sh -> build/lib/streamd/scripts/script_sh 2026-02-14T09:04:33,976 copying streamd/scripts/script_sh/ligand_mol2prep.sh -> build/lib/streamd/scripts/script_sh 2026-02-14T09:04:33,977 copying streamd/scripts/script_sh/ligand_mol2prep_by_gaussian.sh -> build/lib/streamd/scripts/script_sh 2026-02-14T09:04:33,977 copying streamd/scripts/script_sh/ligand_prep.sh -> build/lib/streamd/scripts/script_sh 2026-02-14T09:04:33,978 copying streamd/scripts/script_sh/md.sh -> build/lib/streamd/scripts/script_sh 2026-02-14T09:04:33,979 copying streamd/scripts/script_sh/md_analysis.sh -> build/lib/streamd/scripts/script_sh 2026-02-14T09:04:33,979 copying streamd/scripts/script_sh/md_ligand_analysis.sh -> build/lib/streamd/scripts/script_sh 2026-02-14T09:04:33,980 copying streamd/scripts/script_sh/solv_ions.sh -> build/lib/streamd/scripts/script_sh 2026-02-14T09:04:33,980 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/cmd.py:90: SetuptoolsDeprecationWarning: setup.py install is deprecated. 2026-02-14T09:04:33,981 !! 2026-02-14T09:04:33,982 ******************************************************************************** 2026-02-14T09:04:33,982 Please avoid running ``setup.py`` directly. 2026-02-14T09:04:33,983 Instead, use pypa/build, pypa/installer or other 2026-02-14T09:04:33,983 standards-based tools. 2026-02-14T09:04:33,985 This deprecation is overdue, please update your project and remove deprecated 2026-02-14T09:04:33,985 calls to avoid build errors in the future. 2026-02-14T09:04:33,986 See https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.html for details. 2026-02-14T09:04:33,987 ******************************************************************************** 2026-02-14T09:04:33,988 !! 2026-02-14T09:04:33,988 self.initialize_options() 2026-02-14T09:04:33,994 installing to build/bdist.linux-armv7l/wheel 2026-02-14T09:04:33,994 running install 2026-02-14T09:04:34,018 running install_lib 2026-02-14T09:04:34,045 creating build/bdist.linux-armv7l/wheel 2026-02-14T09:04:34,047 creating build/bdist.linux-armv7l/wheel/streamd 2026-02-14T09:04:34,049 copying build/lib/streamd/__init__.py -> build/bdist.linux-armv7l/wheel/./streamd 2026-02-14T09:04:34,051 creating build/bdist.linux-armv7l/wheel/streamd/prolif 2026-02-14T09:04:34,052 copying build/lib/streamd/prolif/__init__.py -> build/bdist.linux-armv7l/wheel/./streamd/prolif 2026-02-14T09:04:34,054 copying build/lib/streamd/prolif/run_prolif.py -> build/bdist.linux-armv7l/wheel/./streamd/prolif 2026-02-14T09:04:34,057 copying build/lib/streamd/prolif/prolif_frame_map.py -> build/bdist.linux-armv7l/wheel/./streamd/prolif 2026-02-14T09:04:34,060 copying build/lib/streamd/prolif/prolif2png.py -> build/bdist.linux-armv7l/wheel/./streamd/prolif 2026-02-14T09:04:34,063 creating build/bdist.linux-armv7l/wheel/streamd/example 2026-02-14T09:04:34,064 copying build/lib/streamd/example/instructions.txt -> build/bdist.linux-armv7l/wheel/./streamd/example 2026-02-14T09:04:34,066 copying build/lib/streamd/example/ligand.mol -> build/bdist.linux-armv7l/wheel/./streamd/example 2026-02-14T09:04:34,068 copying build/lib/streamd/example/protein_HIS.pdb -> build/bdist.linux-armv7l/wheel/./streamd/example 2026-02-14T09:04:34,093 creating build/bdist.linux-armv7l/wheel/streamd/utils 2026-02-14T09:04:34,094 copying build/lib/streamd/utils/__init__.py -> build/bdist.linux-armv7l/wheel/./streamd/utils 2026-02-14T09:04:34,096 copying build/lib/streamd/utils/dask_init.py -> build/bdist.linux-armv7l/wheel/./streamd/utils 2026-02-14T09:04:34,099 copying build/lib/streamd/utils/utils.py -> build/bdist.linux-armv7l/wheel/./streamd/utils 2026-02-14T09:04:34,102 creating build/bdist.linux-armv7l/wheel/streamd/tests 2026-02-14T09:04:34,103 copying build/lib/streamd/tests/analysis_test.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2026-02-14T09:04:34,106 copying build/lib/streamd/tests/__init__.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2026-02-14T09:04:34,108 copying build/lib/streamd/tests/prolif_test.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2026-02-14T09:04:34,111 copying build/lib/streamd/tests/md_test.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2026-02-14T09:04:34,113 copying build/lib/streamd/tests/plot_build_test.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2026-02-14T09:04:34,115 copying build/lib/streamd/tests/system_name_test.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2026-02-14T09:04:34,117 copying build/lib/streamd/tests/conftest.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2026-02-14T09:04:34,121 copying build/lib/streamd/tests/preparation_test.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2026-02-14T09:04:34,123 copying build/lib/streamd/tests/decomp_dat_parser_test.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2026-02-14T09:04:34,125 copying build/lib/streamd/tests/import_test.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2026-02-14T09:04:34,127 copying build/lib/streamd/tests/config_cli_test.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2026-02-14T09:04:34,129 copying build/lib/streamd/tests/gbsa_test.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2026-02-14T09:04:34,132 creating build/bdist.linux-armv7l/wheel/streamd/analysis 2026-02-14T09:04:34,133 copying build/lib/streamd/analysis/__init__.py -> build/bdist.linux-armv7l/wheel/./streamd/analysis 2026-02-14T09:04:34,135 copying build/lib/streamd/analysis/xvg2png.py -> build/bdist.linux-armv7l/wheel/./streamd/analysis 2026-02-14T09:04:34,137 copying build/lib/streamd/analysis/md_system_analysis.py -> build/bdist.linux-armv7l/wheel/./streamd/analysis 2026-02-14T09:04:34,140 copying build/lib/streamd/analysis/plot_build.py -> build/bdist.linux-armv7l/wheel/./streamd/analysis 2026-02-14T09:04:34,142 copying build/lib/streamd/analysis/run_analysis.py -> build/bdist.linux-armv7l/wheel/./streamd/analysis 2026-02-14T09:04:34,146 creating build/bdist.linux-armv7l/wheel/streamd/preparation 2026-02-14T09:04:34,147 copying build/lib/streamd/preparation/__init__.py -> build/bdist.linux-armv7l/wheel/./streamd/preparation 2026-02-14T09:04:34,150 copying build/lib/streamd/preparation/mcpbpy_preparation.py -> build/bdist.linux-armv7l/wheel/./streamd/preparation 2026-02-14T09:04:34,153 copying build/lib/streamd/preparation/complex_preparation.py -> build/bdist.linux-armv7l/wheel/./streamd/preparation 2026-02-14T09:04:34,155 copying build/lib/streamd/preparation/nonstandard_solvent_preparation.py -> build/bdist.linux-armv7l/wheel/./streamd/preparation 2026-02-14T09:04:34,157 copying build/lib/streamd/preparation/ligand_preparation.py -> build/bdist.linux-armv7l/wheel/./streamd/preparation 2026-02-14T09:04:34,160 copying build/lib/streamd/preparation/md_files_preparation.py -> build/bdist.linux-armv7l/wheel/./streamd/preparation 2026-02-14T09:04:34,163 copying build/lib/streamd/run_md.py -> build/bdist.linux-armv7l/wheel/./streamd 2026-02-14T09:04:34,168 creating build/bdist.linux-armv7l/wheel/streamd/scripts 2026-02-14T09:04:34,169 copying build/lib/streamd/scripts/pmed_amb2gmx.py -> build/bdist.linux-armv7l/wheel/./streamd/scripts 2026-02-14T09:04:34,171 copying build/lib/streamd/scripts/__init__.py -> build/bdist.linux-armv7l/wheel/./streamd/scripts 2026-02-14T09:04:34,173 copying build/lib/streamd/scripts/getcharge.py -> build/bdist.linux-armv7l/wheel/./streamd/scripts 2026-02-14T09:04:34,175 copying build/lib/streamd/scripts/pdb2mol.py -> build/bdist.linux-armv7l/wheel/./streamd/scripts 2026-02-14T09:04:34,177 copying build/lib/streamd/scripts/prepare_Gaussian_input.py -> build/bdist.linux-armv7l/wheel/./streamd/scripts 2026-02-14T09:04:34,180 creating build/bdist.linux-armv7l/wheel/streamd/scripts/mdp 2026-02-14T09:04:34,181 copying build/lib/streamd/scripts/mdp/md.mdp -> build/bdist.linux-armv7l/wheel/./streamd/scripts/mdp 2026-02-14T09:04:34,183 copying build/lib/streamd/scripts/mdp/npt.mdp -> build/bdist.linux-armv7l/wheel/./streamd/scripts/mdp 2026-02-14T09:04:34,185 copying build/lib/streamd/scripts/mdp/nvt.mdp -> build/bdist.linux-armv7l/wheel/./streamd/scripts/mdp 2026-02-14T09:04:34,188 copying build/lib/streamd/scripts/mdp/ions.mdp -> build/bdist.linux-armv7l/wheel/./streamd/scripts/mdp 2026-02-14T09:04:34,190 copying build/lib/streamd/scripts/mdp/minim.mdp -> build/bdist.linux-armv7l/wheel/./streamd/scripts/mdp 2026-02-14T09:04:34,192 creating build/bdist.linux-armv7l/wheel/streamd/scripts/script_sh 2026-02-14T09:04:34,194 copying build/lib/streamd/scripts/script_sh/equlibration.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2026-02-14T09:04:34,196 copying build/lib/streamd/scripts/script_sh/ligand_mol2prep_by_gaussian.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2026-02-14T09:04:34,198 copying build/lib/streamd/scripts/script_sh/ligand_prep.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2026-02-14T09:04:34,200 copying build/lib/streamd/scripts/script_sh/md_ligand_analysis.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2026-02-14T09:04:34,202 copying build/lib/streamd/scripts/script_sh/md_analysis.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2026-02-14T09:04:34,204 copying build/lib/streamd/scripts/script_sh/continue_md.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2026-02-14T09:04:34,205 copying build/lib/streamd/scripts/script_sh/solv_ions.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2026-02-14T09:04:34,207 copying build/lib/streamd/scripts/script_sh/md.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2026-02-14T09:04:34,209 copying build/lib/streamd/scripts/script_sh/ligand_mol2prep.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2026-02-14T09:04:34,211 copying build/lib/streamd/scripts/mol2_fix_coordsbonds.py -> build/bdist.linux-armv7l/wheel/./streamd/scripts 2026-02-14T09:04:34,214 copying build/lib/streamd/scripts/tleap.in -> build/bdist.linux-armv7l/wheel/./streamd/scripts 2026-02-14T09:04:34,216 creating build/bdist.linux-armv7l/wheel/streamd/scripts/mcpbpy_scripts 2026-02-14T09:04:34,217 copying build/lib/streamd/scripts/mcpbpy_scripts/protein.in -> build/bdist.linux-armv7l/wheel/./streamd/scripts/mcpbpy_scripts 2026-02-14T09:04:34,220 creating build/bdist.linux-armv7l/wheel/streamd/scripts/gbsa 2026-02-14T09:04:34,221 copying build/lib/streamd/scripts/gbsa/mmpbsa.in -> build/bdist.linux-armv7l/wheel/./streamd/scripts/gbsa 2026-02-14T09:04:34,224 creating build/bdist.linux-armv7l/wheel/streamd/scripts/com 2026-02-14T09:04:34,225 copying build/lib/streamd/scripts/com/2.com -> build/bdist.linux-armv7l/wheel/./streamd/scripts/com 2026-02-14T09:04:34,227 copying build/lib/streamd/scripts/com/1.com -> build/bdist.linux-armv7l/wheel/./streamd/scripts/com 2026-02-14T09:04:34,229 copying build/lib/streamd/scripts/com/3.com -> build/bdist.linux-armv7l/wheel/./streamd/scripts/com 2026-02-14T09:04:34,231 creating build/bdist.linux-armv7l/wheel/streamd/mcpbpy_md 2026-02-14T09:04:34,233 copying build/lib/streamd/mcpbpy_md/__init__.py -> build/bdist.linux-armv7l/wheel/./streamd/mcpbpy_md 2026-02-14T09:04:34,235 copying build/lib/streamd/mcpbpy_md/mcbpy_md.py -> build/bdist.linux-armv7l/wheel/./streamd/mcpbpy_md 2026-02-14T09:04:34,237 copying build/lib/streamd/run_gbsa.py -> build/bdist.linux-armv7l/wheel/./streamd 2026-02-14T09:04:34,240 running install_egg_info 2026-02-14T09:04:34,275 Copying streamd.egg-info to build/bdist.linux-armv7l/wheel/./streamd-0.5-py3.11.egg-info 2026-02-14T09:04:34,288 running install_scripts 2026-02-14T09:04:34,303 creating build/bdist.linux-armv7l/wheel/streamd-0.5.dist-info/WHEEL 2026-02-14T09:04:34,306 creating '/tmp/pip-wheel-phyd4nd1/streamd-0.5-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2026-02-14T09:04:34,308 adding 'streamd/__init__.py' 2026-02-14T09:04:34,313 adding 'streamd/run_gbsa.py' 2026-02-14T09:04:34,319 adding 'streamd/run_md.py' 2026-02-14T09:04:34,321 adding 'streamd/analysis/__init__.py' 2026-02-14T09:04:34,323 adding 'streamd/analysis/md_system_analysis.py' 2026-02-14T09:04:34,325 adding 'streamd/analysis/plot_build.py' 2026-02-14T09:04:34,327 adding 'streamd/analysis/run_analysis.py' 2026-02-14T09:04:34,329 adding 'streamd/analysis/xvg2png.py' 2026-02-14T09:04:34,331 adding 'streamd/example/instructions.txt' 2026-02-14T09:04:34,332 adding 'streamd/example/ligand.mol' 2026-02-14T09:04:34,394 adding 'streamd/example/protein_HIS.pdb' 2026-02-14T09:04:34,398 adding 'streamd/mcpbpy_md/__init__.py' 2026-02-14T09:04:34,400 adding 'streamd/mcpbpy_md/mcbpy_md.py' 2026-02-14T09:04:34,401 adding 'streamd/preparation/__init__.py' 2026-02-14T09:04:34,403 adding 'streamd/preparation/complex_preparation.py' 2026-02-14T09:04:34,405 adding 'streamd/preparation/ligand_preparation.py' 2026-02-14T09:04:34,407 adding 'streamd/preparation/mcpbpy_preparation.py' 2026-02-14T09:04:34,409 adding 'streamd/preparation/md_files_preparation.py' 2026-02-14T09:04:34,410 adding 'streamd/preparation/nonstandard_solvent_preparation.py' 2026-02-14T09:04:34,412 adding 'streamd/prolif/__init__.py' 2026-02-14T09:04:34,413 adding 'streamd/prolif/prolif2png.py' 2026-02-14T09:04:34,415 adding 'streamd/prolif/prolif_frame_map.py' 2026-02-14T09:04:34,417 adding 'streamd/prolif/run_prolif.py' 2026-02-14T09:04:34,419 adding 'streamd/scripts/__init__.py' 2026-02-14T09:04:34,420 adding 'streamd/scripts/getcharge.py' 2026-02-14T09:04:34,422 adding 'streamd/scripts/mol2_fix_coordsbonds.py' 2026-02-14T09:04:34,423 adding 'streamd/scripts/pdb2mol.py' 2026-02-14T09:04:34,424 adding 'streamd/scripts/pmed_amb2gmx.py' 2026-02-14T09:04:34,426 adding 'streamd/scripts/prepare_Gaussian_input.py' 2026-02-14T09:04:34,427 adding 'streamd/scripts/tleap.in' 2026-02-14T09:04:34,429 adding 'streamd/scripts/com/1.com' 2026-02-14T09:04:34,430 adding 'streamd/scripts/com/2.com' 2026-02-14T09:04:34,431 adding 'streamd/scripts/com/3.com' 2026-02-14T09:04:34,433 adding 'streamd/scripts/gbsa/mmpbsa.in' 2026-02-14T09:04:34,434 adding 'streamd/scripts/mcpbpy_scripts/protein.in' 2026-02-14T09:04:34,436 adding 'streamd/scripts/mdp/ions.mdp' 2026-02-14T09:04:34,438 adding 'streamd/scripts/mdp/md.mdp' 2026-02-14T09:04:34,439 adding 'streamd/scripts/mdp/minim.mdp' 2026-02-14T09:04:34,441 adding 'streamd/scripts/mdp/npt.mdp' 2026-02-14T09:04:34,442 adding 'streamd/scripts/mdp/nvt.mdp' 2026-02-14T09:04:34,444 adding 'streamd/scripts/script_sh/continue_md.sh' 2026-02-14T09:04:34,445 adding 'streamd/scripts/script_sh/equlibration.sh' 2026-02-14T09:04:34,446 adding 'streamd/scripts/script_sh/ligand_mol2prep.sh' 2026-02-14T09:04:34,448 adding 'streamd/scripts/script_sh/ligand_mol2prep_by_gaussian.sh' 2026-02-14T09:04:34,449 adding 'streamd/scripts/script_sh/ligand_prep.sh' 2026-02-14T09:04:34,450 adding 'streamd/scripts/script_sh/md.sh' 2026-02-14T09:04:34,451 adding 'streamd/scripts/script_sh/md_analysis.sh' 2026-02-14T09:04:34,453 adding 'streamd/scripts/script_sh/md_ligand_analysis.sh' 2026-02-14T09:04:34,454 adding 'streamd/scripts/script_sh/solv_ions.sh' 2026-02-14T09:04:34,456 adding 'streamd/tests/__init__.py' 2026-02-14T09:04:34,457 adding 'streamd/tests/analysis_test.py' 2026-02-14T09:04:34,459 adding 'streamd/tests/config_cli_test.py' 2026-02-14T09:04:34,461 adding 'streamd/tests/conftest.py' 2026-02-14T09:04:34,462 adding 'streamd/tests/decomp_dat_parser_test.py' 2026-02-14T09:04:34,463 adding 'streamd/tests/gbsa_test.py' 2026-02-14T09:04:34,465 adding 'streamd/tests/import_test.py' 2026-02-14T09:04:34,466 adding 'streamd/tests/md_test.py' 2026-02-14T09:04:34,468 adding 'streamd/tests/plot_build_test.py' 2026-02-14T09:04:34,469 adding 'streamd/tests/preparation_test.py' 2026-02-14T09:04:34,470 adding 'streamd/tests/prolif_test.py' 2026-02-14T09:04:34,471 adding 'streamd/tests/system_name_test.py' 2026-02-14T09:04:34,473 adding 'streamd/utils/__init__.py' 2026-02-14T09:04:34,475 adding 'streamd/utils/dask_init.py' 2026-02-14T09:04:34,477 adding 'streamd/utils/utils.py' 2026-02-14T09:04:34,480 adding 'streamd-0.5.dist-info/licenses/LICENSE.txt' 2026-02-14T09:04:34,481 adding 'streamd-0.5.dist-info/METADATA' 2026-02-14T09:04:34,482 adding 'streamd-0.5.dist-info/WHEEL' 2026-02-14T09:04:34,483 adding 'streamd-0.5.dist-info/entry_points.txt' 2026-02-14T09:04:34,484 adding 'streamd-0.5.dist-info/top_level.txt' 2026-02-14T09:04:34,485 adding 'streamd-0.5.dist-info/RECORD' 2026-02-14T09:04:34,489 removing build/bdist.linux-armv7l/wheel 2026-02-14T09:04:34,620 Building wheel for streamd (setup.py): finished with status 'done' 2026-02-14T09:04:34,625 Created wheel for streamd: filename=streamd-0.5-py3-none-any.whl size=189810 sha256=3533c5028e08d32ccc571ab40e10b884f3e07e5eb889e3786441f236982292f5 2026-02-14T09:04:34,627 Stored in directory: /tmp/pip-ephem-wheel-cache-_zdiv_bu/wheels/9b/a5/2a/80a3f18bdaf9ad623af4f4bc7a51e7e006d5547dc5cc1e3794 2026-02-14T09:04:34,639 Successfully built streamd 2026-02-14T09:04:34,651 Removed build tracker: '/tmp/pip-build-tracker-_873qafj'