2026-02-09T10:32:54,913 Created temporary directory: /tmp/pip-ephem-wheel-cache-5fij9bst 2026-02-09T10:32:54,915 Created temporary directory: /tmp/pip-build-tracker-qiea43d4 2026-02-09T10:32:54,916 Initialized build tracking at /tmp/pip-build-tracker-qiea43d4 2026-02-09T10:32:54,916 Created build tracker: /tmp/pip-build-tracker-qiea43d4 2026-02-09T10:32:54,916 Entered build tracker: /tmp/pip-build-tracker-qiea43d4 2026-02-09T10:32:54,917 Created temporary directory: /tmp/pip-wheel-s6k_f6pg 2026-02-09T10:32:54,920 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 2026-02-09T10:32:54,922 Created temporary directory: /tmp/pip-ephem-wheel-cache-h7jxsw6h 2026-02-09T10:32:54,944 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple 2026-02-09T10:32:54,948 2 location(s) to search for versions of streamd: 2026-02-09T10:32:54,948 * https://pypi.org/simple/streamd/ 2026-02-09T10:32:54,948 * https://www.piwheels.org/simple/streamd/ 2026-02-09T10:32:54,948 Fetching project page and analyzing links: https://pypi.org/simple/streamd/ 2026-02-09T10:32:54,949 Getting page https://pypi.org/simple/streamd/ 2026-02-09T10:32:54,951 Found index url https://pypi.org/simple 2026-02-09T10:32:55,163 Fetched page https://pypi.org/simple/streamd/ as application/vnd.pypi.simple.v1+json 2026-02-09T10:32:55,167 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 2026-02-09T10:32:55,168 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 2026-02-09T10:32:55,169 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) 2026-02-09T10:32:55,170 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 2026-02-09T10:32:55,171 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) 2026-02-09T10:32:55,172 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 2026-02-09T10:32:55,172 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) 2026-02-09T10:32:55,173 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 2026-02-09T10:32:55,174 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) 2026-02-09T10:32:55,175 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 2026-02-09T10:32:55,176 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) 2026-02-09T10:32:55,177 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 2026-02-09T10:32:55,178 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) 2026-02-09T10:32:55,179 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 2026-02-09T10:32:55,179 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) 2026-02-09T10:32:55,180 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 2026-02-09T10:32:55,181 Fetching project page and analyzing links: https://www.piwheels.org/simple/streamd/ 2026-02-09T10:32:55,181 Getting page https://www.piwheels.org/simple/streamd/ 2026-02-09T10:32:55,183 Found index url https://www.piwheels.org/simple 2026-02-09T10:32:55,336 Fetched page https://www.piwheels.org/simple/streamd/ as text/html 2026-02-09T10:32:55,339 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) 2026-02-09T10:32:55,340 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) 2026-02-09T10:32:55,341 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) 2026-02-09T10:32:55,341 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) 2026-02-09T10:32:55,342 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) 2026-02-09T10:32:55,342 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) 2026-02-09T10:32:55,343 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) 2026-02-09T10:32:55,344 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) 2026-02-09T10:32:55,344 Skipping link: not a file: https://www.piwheels.org/simple/streamd/ 2026-02-09T10:32:55,345 Skipping link: not a file: https://pypi.org/simple/streamd/ 2026-02-09T10:32:55,364 Given no hashes to check 1 links for project 'streamd': discarding no candidates 2026-02-09T10:32:55,382 Collecting streamd==0.4.1 2026-02-09T10:32:55,384 Created temporary directory: /tmp/pip-unpack-dc68_dx2 2026-02-09T10:32:55,594 Downloading streamd-0.4.1.tar.gz (168 kB) 2026-02-09T10:32:55,827 Added streamd==0.4.1 from https://files.pythonhosted.org/packages/4b/52/a7c8d8f9516c8776a9c75ca0438e955cbc0899e6c12279080735dd580832/streamd-0.4.1.tar.gz to build tracker '/tmp/pip-build-tracker-qiea43d4' 2026-02-09T10:32:55,829 Running setup.py (path:/tmp/pip-wheel-s6k_f6pg/streamd_fd6b8dc57f1746cd86662317187d4600/setup.py) egg_info for package streamd 2026-02-09T10:32:55,830 Created temporary directory: /tmp/pip-pip-egg-info-5s_7_att 2026-02-09T10:32:55,830 Preparing metadata (setup.py): started 2026-02-09T10:32:55,831 Running command python setup.py egg_info 2026-02-09T10:32:56,756 running egg_info 2026-02-09T10:32:56,783 creating /tmp/pip-pip-egg-info-5s_7_att/streamd.egg-info 2026-02-09T10:32:56,784 writing /tmp/pip-pip-egg-info-5s_7_att/streamd.egg-info/PKG-INFO 2026-02-09T10:32:56,788 writing dependency_links to /tmp/pip-pip-egg-info-5s_7_att/streamd.egg-info/dependency_links.txt 2026-02-09T10:32:56,790 writing entry points to /tmp/pip-pip-egg-info-5s_7_att/streamd.egg-info/entry_points.txt 2026-02-09T10:32:56,792 writing requirements to /tmp/pip-pip-egg-info-5s_7_att/streamd.egg-info/requires.txt 2026-02-09T10:32:56,793 writing top-level names to /tmp/pip-pip-egg-info-5s_7_att/streamd.egg-info/top_level.txt 2026-02-09T10:32:56,794 writing manifest file '/tmp/pip-pip-egg-info-5s_7_att/streamd.egg-info/SOURCES.txt' 2026-02-09T10:32:56,891 reading manifest file '/tmp/pip-pip-egg-info-5s_7_att/streamd.egg-info/SOURCES.txt' 2026-02-09T10:32:56,893 reading manifest template 'MANIFEST.in' 2026-02-09T10:32:56,898 adding license file 'LICENSE.txt' 2026-02-09T10:32:56,902 writing manifest file '/tmp/pip-pip-egg-info-5s_7_att/streamd.egg-info/SOURCES.txt' 2026-02-09T10:32:57,010 Preparing metadata (setup.py): finished with status 'done' 2026-02-09T10:32:57,013 Source in /tmp/pip-wheel-s6k_f6pg/streamd_fd6b8dc57f1746cd86662317187d4600 has version 0.4.1, which satisfies requirement streamd==0.4.1 from https://files.pythonhosted.org/packages/4b/52/a7c8d8f9516c8776a9c75ca0438e955cbc0899e6c12279080735dd580832/streamd-0.4.1.tar.gz 2026-02-09T10:32:57,015 Removed streamd==0.4.1 from https://files.pythonhosted.org/packages/4b/52/a7c8d8f9516c8776a9c75ca0438e955cbc0899e6c12279080735dd580832/streamd-0.4.1.tar.gz from build tracker '/tmp/pip-build-tracker-qiea43d4' 2026-02-09T10:32:57,020 Created temporary directory: /tmp/pip-unpack-5ixg7nmc 2026-02-09T10:32:57,021 Building wheels for collected packages: streamd 2026-02-09T10:32:57,025 Created temporary directory: /tmp/pip-wheel-v3ic9hbk 2026-02-09T10:32:57,026 Building wheel for streamd (setup.py): started 2026-02-09T10:32:57,027 Destination directory: /tmp/pip-wheel-v3ic9hbk 2026-02-09T10:32:57,027 Running command python setup.py bdist_wheel 2026-02-09T10:32:57,880 running bdist_wheel 2026-02-09T10:32:58,014 running build 2026-02-09T10:32:58,015 running build_py 2026-02-09T10:32:58,049 creating build/lib/streamd 2026-02-09T10:32:58,051 copying streamd/run_md.py -> build/lib/streamd 2026-02-09T10:32:58,055 copying streamd/run_gbsa.py -> build/lib/streamd 2026-02-09T10:32:58,059 copying streamd/__init__.py -> build/lib/streamd 2026-02-09T10:32:58,062 creating build/lib/streamd/tests 2026-02-09T10:32:58,063 copying streamd/tests/preparation_test.py -> build/lib/streamd/tests 2026-02-09T10:32:58,066 copying streamd/tests/plot_build_test.py -> build/lib/streamd/tests 2026-02-09T10:32:58,068 copying streamd/tests/conftest.py -> build/lib/streamd/tests 2026-02-09T10:32:58,072 copying streamd/tests/gbsa_test.py -> build/lib/streamd/tests 2026-02-09T10:32:58,074 copying streamd/tests/config_cli_test.py -> build/lib/streamd/tests 2026-02-09T10:32:58,076 copying streamd/tests/analysis_test.py -> build/lib/streamd/tests 2026-02-09T10:32:58,079 copying streamd/tests/import_test.py -> build/lib/streamd/tests 2026-02-09T10:32:58,081 copying streamd/tests/prolif_test.py -> build/lib/streamd/tests 2026-02-09T10:32:58,083 copying streamd/tests/md_test.py -> build/lib/streamd/tests 2026-02-09T10:32:58,085 copying streamd/tests/__init__.py -> build/lib/streamd/tests 2026-02-09T10:32:58,087 copying streamd/tests/system_name_test.py -> build/lib/streamd/tests 2026-02-09T10:32:58,089 copying streamd/tests/decomp_dat_parser_test.py -> build/lib/streamd/tests 2026-02-09T10:32:58,092 creating build/lib/streamd/mcpbpy_md 2026-02-09T10:32:58,093 copying streamd/mcpbpy_md/mcbpy_md.py -> build/lib/streamd/mcpbpy_md 2026-02-09T10:32:58,095 copying streamd/mcpbpy_md/__init__.py -> build/lib/streamd/mcpbpy_md 2026-02-09T10:32:58,098 creating build/lib/streamd/scripts 2026-02-09T10:32:58,099 copying streamd/scripts/prepare_Gaussian_input.py -> build/lib/streamd/scripts 2026-02-09T10:32:58,101 copying streamd/scripts/getcharge.py -> build/lib/streamd/scripts 2026-02-09T10:32:58,103 copying streamd/scripts/pmed_amb2gmx.py -> build/lib/streamd/scripts 2026-02-09T10:32:58,105 copying streamd/scripts/pdb2mol.py -> build/lib/streamd/scripts 2026-02-09T10:32:58,107 copying streamd/scripts/mol2_fix_coordsbonds.py -> build/lib/streamd/scripts 2026-02-09T10:32:58,109 copying streamd/scripts/__init__.py -> build/lib/streamd/scripts 2026-02-09T10:32:58,111 creating build/lib/streamd/prolif 2026-02-09T10:32:58,113 copying streamd/prolif/prolif2png.py -> build/lib/streamd/prolif 2026-02-09T10:32:58,115 copying streamd/prolif/prolif_frame_map.py -> build/lib/streamd/prolif 2026-02-09T10:32:58,118 copying streamd/prolif/run_prolif.py -> build/lib/streamd/prolif 2026-02-09T10:32:58,120 copying streamd/prolif/__init__.py -> build/lib/streamd/prolif 2026-02-09T10:32:58,123 creating build/lib/streamd/analysis 2026-02-09T10:32:58,124 copying streamd/analysis/run_analysis.py -> build/lib/streamd/analysis 2026-02-09T10:32:58,126 copying streamd/analysis/xvg2png.py -> build/lib/streamd/analysis 2026-02-09T10:32:58,129 copying streamd/analysis/md_system_analysis.py -> build/lib/streamd/analysis 2026-02-09T10:32:58,131 copying streamd/analysis/plot_build.py -> build/lib/streamd/analysis 2026-02-09T10:32:58,134 copying streamd/analysis/__init__.py -> build/lib/streamd/analysis 2026-02-09T10:32:58,136 creating build/lib/streamd/preparation 2026-02-09T10:32:58,137 copying streamd/preparation/nonstandard_solvent_preparation.py -> build/lib/streamd/preparation 2026-02-09T10:32:58,139 copying streamd/preparation/md_files_preparation.py -> build/lib/streamd/preparation 2026-02-09T10:32:58,142 copying streamd/preparation/complex_preparation.py -> build/lib/streamd/preparation 2026-02-09T10:32:58,145 copying streamd/preparation/mcpbpy_preparation.py -> build/lib/streamd/preparation 2026-02-09T10:32:58,147 copying streamd/preparation/ligand_preparation.py -> build/lib/streamd/preparation 2026-02-09T10:32:58,150 copying streamd/preparation/__init__.py -> build/lib/streamd/preparation 2026-02-09T10:32:58,152 creating build/lib/streamd/utils 2026-02-09T10:32:58,153 copying streamd/utils/dask_init.py -> build/lib/streamd/utils 2026-02-09T10:32:58,156 copying streamd/utils/utils.py -> build/lib/streamd/utils 2026-02-09T10:32:58,159 copying streamd/utils/__init__.py -> build/lib/streamd/utils 2026-02-09T10:32:58,161 running egg_info 2026-02-09T10:32:58,190 writing streamd.egg-info/PKG-INFO 2026-02-09T10:32:58,193 writing dependency_links to streamd.egg-info/dependency_links.txt 2026-02-09T10:32:58,195 writing entry points to streamd.egg-info/entry_points.txt 2026-02-09T10:32:58,198 writing requirements to streamd.egg-info/requires.txt 2026-02-09T10:32:58,199 writing top-level names to streamd.egg-info/top_level.txt 2026-02-09T10:32:58,236 reading manifest file 'streamd.egg-info/SOURCES.txt' 2026-02-09T10:32:58,242 reading manifest template 'MANIFEST.in' 2026-02-09T10:32:58,246 adding license file 'LICENSE.txt' 2026-02-09T10:32:58,251 writing manifest file 'streamd.egg-info/SOURCES.txt' 2026-02-09T10:32:58,253 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'streamd.example' is absent from the `packages` configuration. 2026-02-09T10:32:58,254 !! 2026-02-09T10:32:58,255 ******************************************************************************** 2026-02-09T10:32:58,255 ############################ 2026-02-09T10:32:58,256 # Package would be ignored # 2026-02-09T10:32:58,256 ############################ 2026-02-09T10:32:58,257 Python recognizes 'streamd.example' as an importable package[^1], 2026-02-09T10:32:58,257 but it is absent from setuptools' `packages` configuration. 2026-02-09T10:32:58,258 This leads to an ambiguous overall configuration. If you want to distribute this 2026-02-09T10:32:58,259 package, please make sure that 'streamd.example' is explicitly added 2026-02-09T10:32:58,259 to the `packages` configuration field. 2026-02-09T10:32:58,260 Alternatively, you can also rely on setuptools' discovery methods 2026-02-09T10:32:58,261 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-02-09T10:32:58,261 instead of `find_packages(...)`/`find:`). 2026-02-09T10:32:58,262 You can read more about "package discovery" on setuptools documentation page: 2026-02-09T10:32:58,263 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-02-09T10:32:58,265 If you don't want 'streamd.example' to be distributed and are 2026-02-09T10:32:58,265 already explicitly excluding 'streamd.example' via 2026-02-09T10:32:58,266 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-02-09T10:32:58,266 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-02-09T10:32:58,267 combination with a more fine grained `package-data` configuration. 2026-02-09T10:32:58,268 You can read more about "package data files" on setuptools documentation page: 2026-02-09T10:32:58,269 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-02-09T10:32:58,271 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-02-09T10:32:58,271 even if it does not contain any `.py` files. 2026-02-09T10:32:58,272 On the other hand, currently there is no concept of package data 2026-02-09T10:32:58,272 directory, all directories are treated like packages. 2026-02-09T10:32:58,273 ******************************************************************************** 2026-02-09T10:32:58,274 !! 2026-02-09T10:32:58,274 check.warn(importable) 2026-02-09T10:32:58,275 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'streamd.scripts.com' is absent from the `packages` configuration. 2026-02-09T10:32:58,275 !! 2026-02-09T10:32:58,276 ******************************************************************************** 2026-02-09T10:32:58,277 ############################ 2026-02-09T10:32:58,278 # Package would be ignored # 2026-02-09T10:32:58,278 ############################ 2026-02-09T10:32:58,279 Python recognizes 'streamd.scripts.com' as an importable package[^1], 2026-02-09T10:32:58,279 but it is absent from setuptools' `packages` configuration. 2026-02-09T10:32:58,281 This leads to an ambiguous overall configuration. If you want to distribute this 2026-02-09T10:32:58,282 package, please make sure that 'streamd.scripts.com' is explicitly added 2026-02-09T10:32:58,282 to the `packages` configuration field. 2026-02-09T10:32:58,283 Alternatively, you can also rely on setuptools' discovery methods 2026-02-09T10:32:58,284 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-02-09T10:32:58,284 instead of `find_packages(...)`/`find:`). 2026-02-09T10:32:58,285 You can read more about "package discovery" on setuptools documentation page: 2026-02-09T10:32:58,286 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-02-09T10:32:58,287 If you don't want 'streamd.scripts.com' to be distributed and are 2026-02-09T10:32:58,288 already explicitly excluding 'streamd.scripts.com' via 2026-02-09T10:32:58,288 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-02-09T10:32:58,289 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-02-09T10:32:58,290 combination with a more fine grained `package-data` configuration. 2026-02-09T10:32:58,291 You can read more about "package data files" on setuptools documentation page: 2026-02-09T10:32:58,292 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-02-09T10:32:58,293 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-02-09T10:32:58,294 even if it does not contain any `.py` files. 2026-02-09T10:32:58,295 On the other hand, currently there is no concept of package data 2026-02-09T10:32:58,295 directory, all directories are treated like packages. 2026-02-09T10:32:58,296 ******************************************************************************** 2026-02-09T10:32:58,302 !! 2026-02-09T10:32:58,302 check.warn(importable) 2026-02-09T10:32:58,303 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'streamd.scripts.gbsa' is absent from the `packages` configuration. 2026-02-09T10:32:58,304 !! 2026-02-09T10:32:58,305 ******************************************************************************** 2026-02-09T10:32:58,306 ############################ 2026-02-09T10:32:58,307 # Package would be ignored # 2026-02-09T10:32:58,308 ############################ 2026-02-09T10:32:58,309 Python recognizes 'streamd.scripts.gbsa' as an importable package[^1], 2026-02-09T10:32:58,309 but it is absent from setuptools' `packages` configuration. 2026-02-09T10:32:58,310 This leads to an ambiguous overall configuration. If you want to distribute this 2026-02-09T10:32:58,311 package, please make sure that 'streamd.scripts.gbsa' is explicitly added 2026-02-09T10:32:58,311 to the `packages` configuration field. 2026-02-09T10:32:58,312 Alternatively, you can also rely on setuptools' discovery methods 2026-02-09T10:32:58,313 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-02-09T10:32:58,313 instead of `find_packages(...)`/`find:`). 2026-02-09T10:32:58,314 You can read more about "package discovery" on setuptools documentation page: 2026-02-09T10:32:58,315 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-02-09T10:32:58,316 If you don't want 'streamd.scripts.gbsa' to be distributed and are 2026-02-09T10:32:58,317 already explicitly excluding 'streamd.scripts.gbsa' via 2026-02-09T10:32:58,317 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-02-09T10:32:58,318 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-02-09T10:32:58,318 combination with a more fine grained `package-data` configuration. 2026-02-09T10:32:58,320 You can read more about "package data files" on setuptools documentation page: 2026-02-09T10:32:58,320 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-02-09T10:32:58,322 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-02-09T10:32:58,322 even if it does not contain any `.py` files. 2026-02-09T10:32:58,323 On the other hand, currently there is no concept of package data 2026-02-09T10:32:58,323 directory, all directories are treated like packages. 2026-02-09T10:32:58,324 ******************************************************************************** 2026-02-09T10:32:58,324 !! 2026-02-09T10:32:58,325 check.warn(importable) 2026-02-09T10:32:58,325 /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. 2026-02-09T10:32:58,326 !! 2026-02-09T10:32:58,327 ******************************************************************************** 2026-02-09T10:32:58,327 ############################ 2026-02-09T10:32:58,328 # Package would be ignored # 2026-02-09T10:32:58,328 ############################ 2026-02-09T10:32:58,328 Python recognizes 'streamd.scripts.mcpbpy_scripts' as an importable package[^1], 2026-02-09T10:32:58,329 but it is absent from setuptools' `packages` configuration. 2026-02-09T10:32:58,330 This leads to an ambiguous overall configuration. If you want to distribute this 2026-02-09T10:32:58,330 package, please make sure that 'streamd.scripts.mcpbpy_scripts' is explicitly added 2026-02-09T10:32:58,331 to the `packages` configuration field. 2026-02-09T10:32:58,332 Alternatively, you can also rely on setuptools' discovery methods 2026-02-09T10:32:58,332 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-02-09T10:32:58,333 instead of `find_packages(...)`/`find:`). 2026-02-09T10:32:58,334 You can read more about "package discovery" on setuptools documentation page: 2026-02-09T10:32:58,334 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-02-09T10:32:58,335 If you don't want 'streamd.scripts.mcpbpy_scripts' to be distributed and are 2026-02-09T10:32:58,336 already explicitly excluding 'streamd.scripts.mcpbpy_scripts' via 2026-02-09T10:32:58,336 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-02-09T10:32:58,337 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-02-09T10:32:58,337 combination with a more fine grained `package-data` configuration. 2026-02-09T10:32:58,339 You can read more about "package data files" on setuptools documentation page: 2026-02-09T10:32:58,340 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-02-09T10:32:58,341 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-02-09T10:32:58,342 even if it does not contain any `.py` files. 2026-02-09T10:32:58,342 On the other hand, currently there is no concept of package data 2026-02-09T10:32:58,343 directory, all directories are treated like packages. 2026-02-09T10:32:58,343 ******************************************************************************** 2026-02-09T10:32:58,344 !! 2026-02-09T10:32:58,345 check.warn(importable) 2026-02-09T10:32:58,346 /usr/local/lib/python3.11/dist-packages/setuptools/command/build_py.py:215: _Warning: Package 'streamd.scripts.mdp' is absent from the `packages` configuration. 2026-02-09T10:32:58,346 !! 2026-02-09T10:32:58,347 ******************************************************************************** 2026-02-09T10:32:58,348 ############################ 2026-02-09T10:32:58,348 # Package would be ignored # 2026-02-09T10:32:58,349 ############################ 2026-02-09T10:32:58,349 Python recognizes 'streamd.scripts.mdp' as an importable package[^1], 2026-02-09T10:32:58,350 but it is absent from setuptools' `packages` configuration. 2026-02-09T10:32:58,350 This leads to an ambiguous overall configuration. If you want to distribute this 2026-02-09T10:32:58,351 package, please make sure that 'streamd.scripts.mdp' is explicitly added 2026-02-09T10:32:58,351 to the `packages` configuration field. 2026-02-09T10:32:58,352 Alternatively, you can also rely on setuptools' discovery methods 2026-02-09T10:32:58,352 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-02-09T10:32:58,353 instead of `find_packages(...)`/`find:`). 2026-02-09T10:32:58,354 You can read more about "package discovery" on setuptools documentation page: 2026-02-09T10:32:58,354 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-02-09T10:32:58,355 If you don't want 'streamd.scripts.mdp' to be distributed and are 2026-02-09T10:32:58,356 already explicitly excluding 'streamd.scripts.mdp' via 2026-02-09T10:32:58,356 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-02-09T10:32:58,357 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-02-09T10:32:58,357 combination with a more fine grained `package-data` configuration. 2026-02-09T10:32:58,358 You can read more about "package data files" on setuptools documentation page: 2026-02-09T10:32:58,359 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-02-09T10:32:58,360 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-02-09T10:32:58,361 even if it does not contain any `.py` files. 2026-02-09T10:32:58,361 On the other hand, currently there is no concept of package data 2026-02-09T10:32:58,362 directory, all directories are treated like packages. 2026-02-09T10:32:58,362 ******************************************************************************** 2026-02-09T10:32:58,363 !! 2026-02-09T10:32:58,364 check.warn(importable) 2026-02-09T10:32:58,364 /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. 2026-02-09T10:32:58,365 !! 2026-02-09T10:32:58,366 ******************************************************************************** 2026-02-09T10:32:58,366 ############################ 2026-02-09T10:32:58,367 # Package would be ignored # 2026-02-09T10:32:58,368 ############################ 2026-02-09T10:32:58,368 Python recognizes 'streamd.scripts.script_sh' as an importable package[^1], 2026-02-09T10:32:58,369 but it is absent from setuptools' `packages` configuration. 2026-02-09T10:32:58,370 This leads to an ambiguous overall configuration. If you want to distribute this 2026-02-09T10:32:58,370 package, please make sure that 'streamd.scripts.script_sh' is explicitly added 2026-02-09T10:32:58,371 to the `packages` configuration field. 2026-02-09T10:32:58,372 Alternatively, you can also rely on setuptools' discovery methods 2026-02-09T10:32:58,372 (for example by using `find_namespace_packages(...)`/`find_namespace:` 2026-02-09T10:32:58,373 instead of `find_packages(...)`/`find:`). 2026-02-09T10:32:58,374 You can read more about "package discovery" on setuptools documentation page: 2026-02-09T10:32:58,375 - https://setuptools.pypa.io/en/latest/userguide/package_discovery.html 2026-02-09T10:32:58,376 If you don't want 'streamd.scripts.script_sh' to be distributed and are 2026-02-09T10:32:58,377 already explicitly excluding 'streamd.scripts.script_sh' via 2026-02-09T10:32:58,378 `find_namespace_packages(...)/find_namespace` or `find_packages(...)/find`, 2026-02-09T10:32:58,378 you can try to use `exclude_package_data`, or `include-package-data=False` in 2026-02-09T10:32:58,379 combination with a more fine grained `package-data` configuration. 2026-02-09T10:32:58,379 You can read more about "package data files" on setuptools documentation page: 2026-02-09T10:32:58,380 - https://setuptools.pypa.io/en/latest/userguide/datafiles.html 2026-02-09T10:32:58,381 [^1]: For Python, any directory (with suitable naming) can be imported, 2026-02-09T10:32:58,382 even if it does not contain any `.py` files. 2026-02-09T10:32:58,382 On the other hand, currently there is no concept of package data 2026-02-09T10:32:58,383 directory, all directories are treated like packages. 2026-02-09T10:32:58,383 ******************************************************************************** 2026-02-09T10:32:58,384 !! 2026-02-09T10:32:58,384 check.warn(importable) 2026-02-09T10:32:58,385 creating build/lib/streamd/example 2026-02-09T10:32:58,385 copying streamd/example/instructions.txt -> build/lib/streamd/example 2026-02-09T10:32:58,386 copying streamd/example/ligand.mol -> build/lib/streamd/example 2026-02-09T10:32:58,386 copying streamd/example/protein_HIS.pdb -> build/lib/streamd/example 2026-02-09T10:32:58,387 copying streamd/scripts/tleap.in -> build/lib/streamd/scripts 2026-02-09T10:32:58,387 creating build/lib/streamd/scripts/com 2026-02-09T10:32:58,388 copying streamd/scripts/com/1.com -> build/lib/streamd/scripts/com 2026-02-09T10:32:58,388 copying streamd/scripts/com/2.com -> build/lib/streamd/scripts/com 2026-02-09T10:32:58,389 copying streamd/scripts/com/3.com -> build/lib/streamd/scripts/com 2026-02-09T10:32:58,389 creating build/lib/streamd/scripts/gbsa 2026-02-09T10:32:58,390 copying streamd/scripts/gbsa/mmpbsa.in -> build/lib/streamd/scripts/gbsa 2026-02-09T10:32:58,390 creating build/lib/streamd/scripts/mcpbpy_scripts 2026-02-09T10:32:58,391 copying streamd/scripts/mcpbpy_scripts/protein.in -> build/lib/streamd/scripts/mcpbpy_scripts 2026-02-09T10:32:58,392 creating build/lib/streamd/scripts/mdp 2026-02-09T10:32:58,392 copying streamd/scripts/mdp/ions.mdp -> build/lib/streamd/scripts/mdp 2026-02-09T10:32:58,392 copying streamd/scripts/mdp/md.mdp -> build/lib/streamd/scripts/mdp 2026-02-09T10:32:58,393 copying streamd/scripts/mdp/minim.mdp -> build/lib/streamd/scripts/mdp 2026-02-09T10:32:58,394 copying streamd/scripts/mdp/npt.mdp -> build/lib/streamd/scripts/mdp 2026-02-09T10:32:58,394 copying streamd/scripts/mdp/nvt.mdp -> build/lib/streamd/scripts/mdp 2026-02-09T10:32:58,395 creating build/lib/streamd/scripts/script_sh 2026-02-09T10:32:58,395 copying streamd/scripts/script_sh/continue_md.sh -> build/lib/streamd/scripts/script_sh 2026-02-09T10:32:58,396 copying streamd/scripts/script_sh/equlibration.sh -> build/lib/streamd/scripts/script_sh 2026-02-09T10:32:58,396 copying streamd/scripts/script_sh/ligand_mol2prep.sh -> build/lib/streamd/scripts/script_sh 2026-02-09T10:32:58,397 copying streamd/scripts/script_sh/ligand_mol2prep_by_gaussian.sh -> build/lib/streamd/scripts/script_sh 2026-02-09T10:32:58,397 copying streamd/scripts/script_sh/ligand_prep.sh -> build/lib/streamd/scripts/script_sh 2026-02-09T10:32:58,398 copying streamd/scripts/script_sh/md.sh -> build/lib/streamd/scripts/script_sh 2026-02-09T10:32:58,398 copying streamd/scripts/script_sh/md_analysis.sh -> build/lib/streamd/scripts/script_sh 2026-02-09T10:32:58,399 copying streamd/scripts/script_sh/md_ligand_analysis.sh -> build/lib/streamd/scripts/script_sh 2026-02-09T10:32:58,400 copying streamd/scripts/script_sh/solv_ions.sh -> build/lib/streamd/scripts/script_sh 2026-02-09T10:32:58,400 /usr/local/lib/python3.11/dist-packages/setuptools/_distutils/cmd.py:90: SetuptoolsDeprecationWarning: setup.py install is deprecated. 2026-02-09T10:32:58,401 !! 2026-02-09T10:32:58,402 ******************************************************************************** 2026-02-09T10:32:58,402 Please avoid running ``setup.py`` directly. 2026-02-09T10:32:58,403 Instead, use pypa/build, pypa/installer or other 2026-02-09T10:32:58,403 standards-based tools. 2026-02-09T10:32:58,404 This deprecation is overdue, please update your project and remove deprecated 2026-02-09T10:32:58,405 calls to avoid build errors in the future. 2026-02-09T10:32:58,405 See https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.html for details. 2026-02-09T10:32:58,406 ******************************************************************************** 2026-02-09T10:32:58,407 !! 2026-02-09T10:32:58,407 self.initialize_options() 2026-02-09T10:32:58,427 installing to build/bdist.linux-armv7l/wheel 2026-02-09T10:32:58,428 running install 2026-02-09T10:32:58,451 running install_lib 2026-02-09T10:32:58,478 creating build/bdist.linux-armv7l/wheel 2026-02-09T10:32:58,480 creating build/bdist.linux-armv7l/wheel/streamd 2026-02-09T10:32:58,482 creating build/bdist.linux-armv7l/wheel/streamd/tests 2026-02-09T10:32:58,483 copying build/lib/streamd/tests/preparation_test.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2026-02-09T10:32:58,485 copying build/lib/streamd/tests/plot_build_test.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2026-02-09T10:32:58,487 copying build/lib/streamd/tests/conftest.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2026-02-09T10:32:58,490 copying build/lib/streamd/tests/gbsa_test.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2026-02-09T10:32:58,492 copying build/lib/streamd/tests/config_cli_test.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2026-02-09T10:32:58,494 copying build/lib/streamd/tests/analysis_test.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2026-02-09T10:32:58,496 copying build/lib/streamd/tests/import_test.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2026-02-09T10:32:58,498 copying build/lib/streamd/tests/prolif_test.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2026-02-09T10:32:58,500 copying build/lib/streamd/tests/md_test.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2026-02-09T10:32:58,503 copying build/lib/streamd/tests/__init__.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2026-02-09T10:32:58,504 copying build/lib/streamd/tests/system_name_test.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2026-02-09T10:32:58,506 copying build/lib/streamd/tests/decomp_dat_parser_test.py -> build/bdist.linux-armv7l/wheel/./streamd/tests 2026-02-09T10:32:58,509 creating build/bdist.linux-armv7l/wheel/streamd/mcpbpy_md 2026-02-09T10:32:58,510 copying build/lib/streamd/mcpbpy_md/mcbpy_md.py -> build/bdist.linux-armv7l/wheel/./streamd/mcpbpy_md 2026-02-09T10:32:58,512 copying build/lib/streamd/mcpbpy_md/__init__.py -> build/bdist.linux-armv7l/wheel/./streamd/mcpbpy_md 2026-02-09T10:32:58,514 copying build/lib/streamd/run_md.py -> build/bdist.linux-armv7l/wheel/./streamd 2026-02-09T10:32:58,517 copying build/lib/streamd/run_gbsa.py -> build/bdist.linux-armv7l/wheel/./streamd 2026-02-09T10:32:58,520 creating build/bdist.linux-armv7l/wheel/streamd/scripts 2026-02-09T10:32:58,522 creating build/bdist.linux-armv7l/wheel/streamd/scripts/mcpbpy_scripts 2026-02-09T10:32:58,523 copying build/lib/streamd/scripts/mcpbpy_scripts/protein.in -> build/bdist.linux-armv7l/wheel/./streamd/scripts/mcpbpy_scripts 2026-02-09T10:32:58,525 copying build/lib/streamd/scripts/prepare_Gaussian_input.py -> build/bdist.linux-armv7l/wheel/./streamd/scripts 2026-02-09T10:32:58,527 creating build/bdist.linux-armv7l/wheel/streamd/scripts/mdp 2026-02-09T10:32:58,528 copying build/lib/streamd/scripts/mdp/md.mdp -> build/bdist.linux-armv7l/wheel/./streamd/scripts/mdp 2026-02-09T10:32:58,531 copying build/lib/streamd/scripts/mdp/nvt.mdp -> build/bdist.linux-armv7l/wheel/./streamd/scripts/mdp 2026-02-09T10:32:58,533 copying build/lib/streamd/scripts/mdp/minim.mdp -> build/bdist.linux-armv7l/wheel/./streamd/scripts/mdp 2026-02-09T10:32:58,534 copying build/lib/streamd/scripts/mdp/npt.mdp -> build/bdist.linux-armv7l/wheel/./streamd/scripts/mdp 2026-02-09T10:32:58,536 copying build/lib/streamd/scripts/mdp/ions.mdp -> build/bdist.linux-armv7l/wheel/./streamd/scripts/mdp 2026-02-09T10:32:58,538 copying build/lib/streamd/scripts/tleap.in -> build/bdist.linux-armv7l/wheel/./streamd/scripts 2026-02-09T10:32:58,541 creating build/bdist.linux-armv7l/wheel/streamd/scripts/com 2026-02-09T10:32:58,542 copying build/lib/streamd/scripts/com/2.com -> build/bdist.linux-armv7l/wheel/./streamd/scripts/com 2026-02-09T10:32:58,543 copying build/lib/streamd/scripts/com/3.com -> build/bdist.linux-armv7l/wheel/./streamd/scripts/com 2026-02-09T10:32:58,546 copying build/lib/streamd/scripts/com/1.com -> build/bdist.linux-armv7l/wheel/./streamd/scripts/com 2026-02-09T10:32:58,547 copying build/lib/streamd/scripts/getcharge.py -> build/bdist.linux-armv7l/wheel/./streamd/scripts 2026-02-09T10:32:58,550 creating build/bdist.linux-armv7l/wheel/streamd/scripts/gbsa 2026-02-09T10:32:58,551 copying build/lib/streamd/scripts/gbsa/mmpbsa.in -> build/bdist.linux-armv7l/wheel/./streamd/scripts/gbsa 2026-02-09T10:32:58,553 copying build/lib/streamd/scripts/pmed_amb2gmx.py -> build/bdist.linux-armv7l/wheel/./streamd/scripts 2026-02-09T10:32:58,555 creating build/bdist.linux-armv7l/wheel/streamd/scripts/script_sh 2026-02-09T10:32:58,556 copying build/lib/streamd/scripts/script_sh/solv_ions.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2026-02-09T10:32:58,558 copying build/lib/streamd/scripts/script_sh/ligand_mol2prep.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2026-02-09T10:32:58,560 copying build/lib/streamd/scripts/script_sh/ligand_prep.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2026-02-09T10:32:58,562 copying build/lib/streamd/scripts/script_sh/equlibration.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2026-02-09T10:32:58,564 copying build/lib/streamd/scripts/script_sh/md_ligand_analysis.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2026-02-09T10:32:58,566 copying build/lib/streamd/scripts/script_sh/ligand_mol2prep_by_gaussian.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2026-02-09T10:32:58,568 copying build/lib/streamd/scripts/script_sh/continue_md.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2026-02-09T10:32:58,569 copying build/lib/streamd/scripts/script_sh/md_analysis.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2026-02-09T10:32:58,571 copying build/lib/streamd/scripts/script_sh/md.sh -> build/bdist.linux-armv7l/wheel/./streamd/scripts/script_sh 2026-02-09T10:32:58,573 copying build/lib/streamd/scripts/pdb2mol.py -> build/bdist.linux-armv7l/wheel/./streamd/scripts 2026-02-09T10:32:58,575 copying build/lib/streamd/scripts/mol2_fix_coordsbonds.py -> build/bdist.linux-armv7l/wheel/./streamd/scripts 2026-02-09T10:32:58,578 copying build/lib/streamd/scripts/__init__.py -> build/bdist.linux-armv7l/wheel/./streamd/scripts 2026-02-09T10:32:58,580 creating build/bdist.linux-armv7l/wheel/streamd/prolif 2026-02-09T10:32:58,581 copying build/lib/streamd/prolif/prolif2png.py -> build/bdist.linux-armv7l/wheel/./streamd/prolif 2026-02-09T10:32:58,584 copying build/lib/streamd/prolif/prolif_frame_map.py -> build/bdist.linux-armv7l/wheel/./streamd/prolif 2026-02-09T10:32:58,586 copying build/lib/streamd/prolif/run_prolif.py -> build/bdist.linux-armv7l/wheel/./streamd/prolif 2026-02-09T10:32:58,590 copying build/lib/streamd/prolif/__init__.py -> build/bdist.linux-armv7l/wheel/./streamd/prolif 2026-02-09T10:32:58,592 creating build/bdist.linux-armv7l/wheel/streamd/analysis 2026-02-09T10:32:58,593 copying build/lib/streamd/analysis/run_analysis.py -> build/bdist.linux-armv7l/wheel/./streamd/analysis 2026-02-09T10:32:58,596 copying build/lib/streamd/analysis/xvg2png.py -> build/bdist.linux-armv7l/wheel/./streamd/analysis 2026-02-09T10:32:58,598 copying build/lib/streamd/analysis/md_system_analysis.py -> build/bdist.linux-armv7l/wheel/./streamd/analysis 2026-02-09T10:32:58,601 copying build/lib/streamd/analysis/plot_build.py -> build/bdist.linux-armv7l/wheel/./streamd/analysis 2026-02-09T10:32:58,603 copying build/lib/streamd/analysis/__init__.py -> build/bdist.linux-armv7l/wheel/./streamd/analysis 2026-02-09T10:32:58,605 creating build/bdist.linux-armv7l/wheel/streamd/example 2026-02-09T10:32:58,607 copying build/lib/streamd/example/protein_HIS.pdb -> build/bdist.linux-armv7l/wheel/./streamd/example 2026-02-09T10:32:58,622 copying build/lib/streamd/example/instructions.txt -> build/bdist.linux-armv7l/wheel/./streamd/example 2026-02-09T10:32:58,623 copying build/lib/streamd/example/ligand.mol -> build/bdist.linux-armv7l/wheel/./streamd/example 2026-02-09T10:32:58,625 copying build/lib/streamd/__init__.py -> build/bdist.linux-armv7l/wheel/./streamd 2026-02-09T10:32:58,628 creating build/bdist.linux-armv7l/wheel/streamd/preparation 2026-02-09T10:32:58,629 copying build/lib/streamd/preparation/nonstandard_solvent_preparation.py -> build/bdist.linux-armv7l/wheel/./streamd/preparation 2026-02-09T10:32:58,631 copying build/lib/streamd/preparation/md_files_preparation.py -> build/bdist.linux-armv7l/wheel/./streamd/preparation 2026-02-09T10:32:58,633 copying build/lib/streamd/preparation/complex_preparation.py -> build/bdist.linux-armv7l/wheel/./streamd/preparation 2026-02-09T10:32:58,635 copying build/lib/streamd/preparation/mcpbpy_preparation.py -> build/bdist.linux-armv7l/wheel/./streamd/preparation 2026-02-09T10:32:58,638 copying build/lib/streamd/preparation/ligand_preparation.py -> build/bdist.linux-armv7l/wheel/./streamd/preparation 2026-02-09T10:32:58,640 copying build/lib/streamd/preparation/__init__.py -> build/bdist.linux-armv7l/wheel/./streamd/preparation 2026-02-09T10:32:58,643 creating build/bdist.linux-armv7l/wheel/streamd/utils 2026-02-09T10:32:58,644 copying build/lib/streamd/utils/dask_init.py -> build/bdist.linux-armv7l/wheel/./streamd/utils 2026-02-09T10:32:58,646 copying build/lib/streamd/utils/utils.py -> build/bdist.linux-armv7l/wheel/./streamd/utils 2026-02-09T10:32:58,649 copying build/lib/streamd/utils/__init__.py -> build/bdist.linux-armv7l/wheel/./streamd/utils 2026-02-09T10:32:58,650 running install_egg_info 2026-02-09T10:32:58,686 Copying streamd.egg-info to build/bdist.linux-armv7l/wheel/./streamd-0.4.1-py3.11.egg-info 2026-02-09T10:32:58,698 running install_scripts 2026-02-09T10:32:58,711 creating build/bdist.linux-armv7l/wheel/streamd-0.4.1.dist-info/WHEEL 2026-02-09T10:32:58,713 creating '/tmp/pip-wheel-v3ic9hbk/streamd-0.4.1-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it 2026-02-09T10:32:58,716 adding 'streamd/__init__.py' 2026-02-09T10:32:58,720 adding 'streamd/run_gbsa.py' 2026-02-09T10:32:58,727 adding 'streamd/run_md.py' 2026-02-09T10:32:58,729 adding 'streamd/analysis/__init__.py' 2026-02-09T10:32:58,731 adding 'streamd/analysis/md_system_analysis.py' 2026-02-09T10:32:58,732 adding 'streamd/analysis/plot_build.py' 2026-02-09T10:32:58,735 adding 'streamd/analysis/run_analysis.py' 2026-02-09T10:32:58,737 adding 'streamd/analysis/xvg2png.py' 2026-02-09T10:32:58,738 adding 'streamd/example/instructions.txt' 2026-02-09T10:32:58,740 adding 'streamd/example/ligand.mol' 2026-02-09T10:32:58,802 adding 'streamd/example/protein_HIS.pdb' 2026-02-09T10:32:58,806 adding 'streamd/mcpbpy_md/__init__.py' 2026-02-09T10:32:58,807 adding 'streamd/mcpbpy_md/mcbpy_md.py' 2026-02-09T10:32:58,809 adding 'streamd/preparation/__init__.py' 2026-02-09T10:32:58,811 adding 'streamd/preparation/complex_preparation.py' 2026-02-09T10:32:58,813 adding 'streamd/preparation/ligand_preparation.py' 2026-02-09T10:32:58,816 adding 'streamd/preparation/mcpbpy_preparation.py' 2026-02-09T10:32:58,818 adding 'streamd/preparation/md_files_preparation.py' 2026-02-09T10:32:58,819 adding 'streamd/preparation/nonstandard_solvent_preparation.py' 2026-02-09T10:32:58,821 adding 'streamd/prolif/__init__.py' 2026-02-09T10:32:58,822 adding 'streamd/prolif/prolif2png.py' 2026-02-09T10:32:58,824 adding 'streamd/prolif/prolif_frame_map.py' 2026-02-09T10:32:58,826 adding 'streamd/prolif/run_prolif.py' 2026-02-09T10:32:58,828 adding 'streamd/scripts/__init__.py' 2026-02-09T10:32:58,829 adding 'streamd/scripts/getcharge.py' 2026-02-09T10:32:58,831 adding 'streamd/scripts/mol2_fix_coordsbonds.py' 2026-02-09T10:32:58,832 adding 'streamd/scripts/pdb2mol.py' 2026-02-09T10:32:58,833 adding 'streamd/scripts/pmed_amb2gmx.py' 2026-02-09T10:32:58,835 adding 'streamd/scripts/prepare_Gaussian_input.py' 2026-02-09T10:32:58,836 adding 'streamd/scripts/tleap.in' 2026-02-09T10:32:58,838 adding 'streamd/scripts/com/1.com' 2026-02-09T10:32:58,839 adding 'streamd/scripts/com/2.com' 2026-02-09T10:32:58,840 adding 'streamd/scripts/com/3.com' 2026-02-09T10:32:58,842 adding 'streamd/scripts/gbsa/mmpbsa.in' 2026-02-09T10:32:58,844 adding 'streamd/scripts/mcpbpy_scripts/protein.in' 2026-02-09T10:32:58,845 adding 'streamd/scripts/mdp/ions.mdp' 2026-02-09T10:32:58,847 adding 'streamd/scripts/mdp/md.mdp' 2026-02-09T10:32:58,848 adding 'streamd/scripts/mdp/minim.mdp' 2026-02-09T10:32:58,849 adding 'streamd/scripts/mdp/npt.mdp' 2026-02-09T10:32:58,851 adding 'streamd/scripts/mdp/nvt.mdp' 2026-02-09T10:32:58,853 adding 'streamd/scripts/script_sh/continue_md.sh' 2026-02-09T10:32:58,854 adding 'streamd/scripts/script_sh/equlibration.sh' 2026-02-09T10:32:58,855 adding 'streamd/scripts/script_sh/ligand_mol2prep.sh' 2026-02-09T10:32:58,856 adding 'streamd/scripts/script_sh/ligand_mol2prep_by_gaussian.sh' 2026-02-09T10:32:58,857 adding 'streamd/scripts/script_sh/ligand_prep.sh' 2026-02-09T10:32:58,859 adding 'streamd/scripts/script_sh/md.sh' 2026-02-09T10:32:58,860 adding 'streamd/scripts/script_sh/md_analysis.sh' 2026-02-09T10:32:58,861 adding 'streamd/scripts/script_sh/md_ligand_analysis.sh' 2026-02-09T10:32:58,862 adding 'streamd/scripts/script_sh/solv_ions.sh' 2026-02-09T10:32:58,864 adding 'streamd/tests/__init__.py' 2026-02-09T10:32:58,866 adding 'streamd/tests/analysis_test.py' 2026-02-09T10:32:58,867 adding 'streamd/tests/config_cli_test.py' 2026-02-09T10:32:58,869 adding 'streamd/tests/conftest.py' 2026-02-09T10:32:58,870 adding 'streamd/tests/decomp_dat_parser_test.py' 2026-02-09T10:32:58,872 adding 'streamd/tests/gbsa_test.py' 2026-02-09T10:32:58,873 adding 'streamd/tests/import_test.py' 2026-02-09T10:32:58,875 adding 'streamd/tests/md_test.py' 2026-02-09T10:32:58,876 adding 'streamd/tests/plot_build_test.py' 2026-02-09T10:32:58,877 adding 'streamd/tests/preparation_test.py' 2026-02-09T10:32:58,879 adding 'streamd/tests/prolif_test.py' 2026-02-09T10:32:58,880 adding 'streamd/tests/system_name_test.py' 2026-02-09T10:32:58,882 adding 'streamd/utils/__init__.py' 2026-02-09T10:32:58,883 adding 'streamd/utils/dask_init.py' 2026-02-09T10:32:58,885 adding 'streamd/utils/utils.py' 2026-02-09T10:32:58,888 adding 'streamd-0.4.1.dist-info/licenses/LICENSE.txt' 2026-02-09T10:32:58,889 adding 'streamd-0.4.1.dist-info/METADATA' 2026-02-09T10:32:58,890 adding 'streamd-0.4.1.dist-info/WHEEL' 2026-02-09T10:32:58,891 adding 'streamd-0.4.1.dist-info/entry_points.txt' 2026-02-09T10:32:58,892 adding 'streamd-0.4.1.dist-info/top_level.txt' 2026-02-09T10:32:58,894 adding 'streamd-0.4.1.dist-info/RECORD' 2026-02-09T10:32:58,897 removing build/bdist.linux-armv7l/wheel 2026-02-09T10:32:59,028 Building wheel for streamd (setup.py): finished with status 'done' 2026-02-09T10:32:59,033 Created wheel for streamd: filename=streamd-0.4.1-py3-none-any.whl size=189166 sha256=c80c87fbbc88e6ba69ce26cafce92ef19566c7349fd066d1e69e520d768b6f07 2026-02-09T10:32:59,034 Stored in directory: /tmp/pip-ephem-wheel-cache-h7jxsw6h/wheels/7a/3c/6b/c40dd90e2e691d95e48f9738ef065647d23a30dc49a00bac2b 2026-02-09T10:32:59,047 Successfully built streamd 2026-02-09T10:32:59,054 Removed build tracker: '/tmp/pip-build-tracker-qiea43d4'